USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 477 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= -0.222 (180deg=-0.935) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.695 K(o=-0.7,f=-6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -17.6! C(o=-18!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= -0.8 (180deg=-2.42!) USER MOD Single : A 37 SER OG : rot -160:sc= -1.24! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.33! C(o=-4.3!,f=-7.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.74) USER MOD Single : A 61 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0561 K(o=-0.056,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -8.899 -6.492 1.723 1.00 0.00 N ATOM 121 CA LEU A 9 -8.355 -5.333 2.408 1.00 0.00 C ATOM 122 C LEU A 9 -8.042 -4.234 1.409 1.00 0.00 C ATOM 123 O LEU A 9 -7.532 -4.502 0.325 1.00 0.00 O ATOM 124 CB LEU A 9 -7.092 -5.711 3.184 1.00 0.00 C ATOM 125 CG LEU A 9 -7.268 -6.844 4.196 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.917 -7.418 4.595 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.024 -6.350 5.421 1.00 0.00 C ATOM 0 HA LEU A 9 -9.101 -4.969 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.319 -5.998 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.729 -4.828 3.710 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.852 -7.637 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.062 -8.223 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.412 -7.809 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.307 -6.634 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.141 -7.169 6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.467 -5.539 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.007 -5.988 5.120 1.00 0.00 H new ATOM 139 N TYR A 10 -8.336 -3.000 1.783 1.00 0.00 N ATOM 140 CA TYR A 10 -8.068 -1.873 0.913 1.00 0.00 C ATOM 141 C TYR A 10 -6.800 -1.170 1.356 1.00 0.00 C ATOM 142 O TYR A 10 -6.783 -0.475 2.373 1.00 0.00 O ATOM 143 CB TYR A 10 -9.251 -0.906 0.908 1.00 0.00 C ATOM 144 CG TYR A 10 -10.579 -1.587 0.663 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.913 -2.062 -0.595 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.496 -1.755 1.690 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.124 -2.686 -0.828 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.711 -2.379 1.470 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.019 -2.844 0.209 1.00 0.00 C ATOM 150 OH TYR A 10 -14.225 -3.465 -0.016 1.00 0.00 O ATOM 0 H TYR A 10 -8.758 -2.756 2.679 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.927 -2.238 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.289 -0.384 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.091 -0.150 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.214 -1.942 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.257 -1.392 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.368 -3.048 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.414 -2.501 2.281 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.738 -3.496 0.819 1.00 0.00 H new ATOM 160 N LYS A 11 -5.741 -1.351 0.585 1.00 0.00 N ATOM 161 CA LYS A 11 -4.459 -0.727 0.894 1.00 0.00 C ATOM 162 C LYS A 11 -3.945 0.060 -0.305 1.00 0.00 C ATOM 163 O LYS A 11 -4.312 -0.227 -1.444 1.00 0.00 O ATOM 164 CB LYS A 11 -3.433 -1.784 1.305 1.00 0.00 C ATOM 165 CG LYS A 11 -3.980 -2.828 2.268 1.00 0.00 C ATOM 166 CD LYS A 11 -3.629 -4.238 1.824 1.00 0.00 C ATOM 167 CE LYS A 11 -3.482 -5.176 3.011 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.782 -6.437 2.641 1.00 0.00 N ATOM 0 H LYS A 11 -5.740 -1.924 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.607 -0.040 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.064 -2.286 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.579 -1.288 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.578 -2.650 3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.063 -2.727 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.404 -4.614 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.699 -4.221 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.929 -4.673 3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.468 -5.412 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.702 -7.048 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.323 -6.930 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.831 -6.214 2.284 1.00 0.00 H new ATOM 182 N VAL A 12 -3.095 1.050 -0.052 1.00 0.00 N ATOM 183 CA VAL A 12 -2.544 1.860 -1.134 1.00 0.00 C ATOM 184 C VAL A 12 -1.073 1.519 -1.354 1.00 0.00 C ATOM 185 O VAL A 12 -0.334 1.328 -0.398 1.00 0.00 O ATOM 186 CB VAL A 12 -2.689 3.383 -0.869 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.082 4.111 -2.138 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.711 3.682 0.219 1.00 0.00 C ATOM 0 H VAL A 12 -2.775 1.309 0.881 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.119 1.624 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.716 3.736 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.179 5.177 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.316 3.957 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.035 3.724 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.778 4.760 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.685 3.296 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.403 3.204 1.149 1.00 0.00 H new ATOM 198 N GLN A 13 -0.655 1.425 -2.611 1.00 0.00 N ATOM 199 CA GLN A 13 0.732 1.090 -2.932 1.00 0.00 C ATOM 200 C GLN A 13 1.312 2.068 -3.947 1.00 0.00 C ATOM 201 O GLN A 13 0.662 2.411 -4.932 1.00 0.00 O ATOM 202 CB GLN A 13 0.822 -0.338 -3.472 1.00 0.00 C ATOM 203 CG GLN A 13 2.225 -0.921 -3.414 1.00 0.00 C ATOM 204 CD GLN A 13 2.500 -1.887 -4.549 1.00 0.00 C ATOM 205 OE1 GLN A 13 3.042 -1.507 -5.588 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.127 -3.148 -4.359 1.00 0.00 N ATOM 0 H GLN A 13 -1.253 1.575 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 13 1.316 1.162 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.148 -0.977 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.475 -0.350 -4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.953 -0.111 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.362 -1.435 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.681 -3.422 -3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.287 -3.843 -5.089 1.00 0.00 H new ATOM 215 N ILE A 14 2.534 2.525 -3.691 1.00 0.00 N ATOM 216 CA ILE A 14 3.182 3.480 -4.583 1.00 0.00 C ATOM 217 C ILE A 14 4.311 2.859 -5.405 1.00 0.00 C ATOM 218 O ILE A 14 4.867 3.522 -6.282 1.00 0.00 O ATOM 219 CB ILE A 14 3.737 4.694 -3.814 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.677 4.231 -2.693 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.593 5.542 -3.274 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.166 4.497 -1.292 1.00 0.00 C ATOM 0 H ILE A 14 3.091 2.253 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 14 2.399 3.806 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 14 4.318 5.315 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.854 3.161 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.639 4.728 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.998 6.397 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.979 5.895 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.982 4.942 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.894 4.137 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.016 5.568 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.219 3.977 -1.145 1.00 0.00 H new ATOM 234 N GLY A 15 4.648 1.591 -5.154 1.00 0.00 N ATOM 235 CA GLY A 15 5.705 0.970 -5.938 1.00 0.00 C ATOM 236 C GLY A 15 6.291 -0.288 -5.327 1.00 0.00 C ATOM 237 O GLY A 15 6.024 -0.623 -4.174 1.00 0.00 O ATOM 0 H GLY A 15 4.221 0.998 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.312 0.729 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.506 1.695 -6.082 1.00 0.00 H new ATOM 241 N ALA A 16 7.125 -0.963 -6.120 1.00 0.00 N ATOM 242 CA ALA A 16 7.813 -2.178 -5.702 1.00 0.00 C ATOM 243 C ALA A 16 9.144 -2.286 -6.446 1.00 0.00 C ATOM 244 O ALA A 16 9.221 -1.946 -7.626 1.00 0.00 O ATOM 245 CB ALA A 16 6.952 -3.409 -5.956 1.00 0.00 C ATOM 0 H ALA A 16 7.341 -0.677 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 16 8.003 -2.127 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.489 -4.301 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.021 -3.324 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.728 -3.483 -7.020 1.00 0.00 H new ATOM 251 N PHE A 17 10.193 -2.738 -5.766 1.00 0.00 N ATOM 252 CA PHE A 17 11.502 -2.857 -6.399 1.00 0.00 C ATOM 253 C PHE A 17 12.311 -3.993 -5.790 1.00 0.00 C ATOM 254 O PHE A 17 12.171 -4.306 -4.609 1.00 0.00 O ATOM 255 CB PHE A 17 12.274 -1.542 -6.268 1.00 0.00 C ATOM 256 CG PHE A 17 11.421 -0.318 -6.448 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.747 0.237 -5.372 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.291 0.274 -7.695 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.961 1.361 -5.536 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.507 1.399 -7.863 1.00 0.00 C ATOM 261 CZ PHE A 17 9.841 1.944 -6.782 1.00 0.00 C ATOM 0 H PHE A 17 10.164 -3.025 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 17 11.343 -3.080 -7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.745 -1.504 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.076 -1.527 -7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.837 -0.214 -4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.808 -0.149 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.440 1.784 -4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.415 1.852 -8.839 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.228 2.824 -6.911 1.00 0.00 H new ATOM 271 N LYS A 18 13.167 -4.599 -6.604 1.00 0.00 N ATOM 272 CA LYS A 18 14.009 -5.701 -6.154 1.00 0.00 C ATOM 273 C LYS A 18 14.927 -5.274 -5.009 1.00 0.00 C ATOM 274 O LYS A 18 15.502 -6.116 -4.322 1.00 0.00 O ATOM 275 CB LYS A 18 14.846 -6.234 -7.317 1.00 0.00 C ATOM 276 CG LYS A 18 15.816 -5.211 -7.888 1.00 0.00 C ATOM 277 CD LYS A 18 17.252 -5.714 -7.845 1.00 0.00 C ATOM 278 CE LYS A 18 17.558 -6.623 -9.024 1.00 0.00 C ATOM 279 NZ LYS A 18 17.278 -5.958 -10.326 1.00 0.00 N ATOM 0 H LYS A 18 13.297 -4.345 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 18 13.353 -6.490 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.407 -7.106 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.178 -6.571 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.541 -4.983 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.739 -4.281 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.936 -4.866 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.422 -6.254 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.605 -6.924 -8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.962 -7.532 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.023 -6.203 -11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.357 -6.278 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.257 -4.927 -10.192 1.00 0.00 H new ATOM 293 N VAL A 19 15.069 -3.965 -4.810 1.00 0.00 N ATOM 294 CA VAL A 19 15.926 -3.448 -3.749 1.00 0.00 C ATOM 295 C VAL A 19 15.113 -2.923 -2.571 1.00 0.00 C ATOM 296 O VAL A 19 14.199 -2.115 -2.740 1.00 0.00 O ATOM 297 CB VAL A 19 16.839 -2.321 -4.268 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.867 -1.938 -3.213 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.522 -2.739 -5.562 1.00 0.00 C ATOM 0 H VAL A 19 14.604 -3.248 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 19 16.538 -4.284 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 19 16.223 -1.446 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.503 -1.141 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.355 -1.593 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.480 -2.806 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.163 -1.930 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.126 -3.629 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.767 -2.958 -6.317 1.00 0.00 H new ATOM 309 N LYS A 20 15.460 -3.388 -1.376 1.00 0.00 N ATOM 310 CA LYS A 20 14.784 -2.979 -0.157 1.00 0.00 C ATOM 311 C LYS A 20 15.145 -1.545 0.195 1.00 0.00 C ATOM 312 O LYS A 20 14.292 -0.776 0.635 1.00 0.00 O ATOM 313 CB LYS A 20 15.157 -3.908 0.999 1.00 0.00 C ATOM 314 CG LYS A 20 14.380 -3.633 2.277 1.00 0.00 C ATOM 315 CD LYS A 20 15.296 -3.196 3.409 1.00 0.00 C ATOM 316 CE LYS A 20 15.237 -1.692 3.623 1.00 0.00 C ATOM 317 NZ LYS A 20 16.449 -1.185 4.327 1.00 0.00 N ATOM 0 H LYS A 20 16.216 -4.057 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 20 13.709 -3.041 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.985 -4.940 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.223 -3.809 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.636 -2.858 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.838 -4.531 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.010 -3.707 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.321 -3.493 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.140 -1.191 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.349 -1.442 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.371 -0.156 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.528 -1.644 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.295 -1.401 3.762 1.00 0.00 H new ATOM 331 N ALA A 21 16.408 -1.178 -0.012 1.00 0.00 N ATOM 332 CA ALA A 21 16.857 0.179 0.274 1.00 0.00 C ATOM 333 C ALA A 21 16.013 1.176 -0.502 1.00 0.00 C ATOM 334 O ALA A 21 15.741 2.283 -0.033 1.00 0.00 O ATOM 335 CB ALA A 21 18.330 0.337 -0.073 1.00 0.00 C ATOM 0 H ALA A 21 17.133 -1.798 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 21 16.738 0.374 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.648 1.356 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.920 -0.363 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.478 0.131 -1.133 1.00 0.00 H new ATOM 341 N ASN A 22 15.572 0.757 -1.685 1.00 0.00 N ATOM 342 CA ASN A 22 14.729 1.590 -2.521 1.00 0.00 C ATOM 343 C ASN A 22 13.308 1.563 -1.984 1.00 0.00 C ATOM 344 O ASN A 22 12.588 2.559 -2.047 1.00 0.00 O ATOM 345 CB ASN A 22 14.757 1.101 -3.970 1.00 0.00 C ATOM 346 CG ASN A 22 16.020 1.516 -4.696 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.870 0.685 -5.016 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.150 2.811 -4.963 1.00 0.00 N ATOM 0 H ASN A 22 15.788 -0.157 -2.082 1.00 0.00 H new ATOM 0 HA ASN A 22 15.106 2.613 -2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.673 0.014 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.890 1.495 -4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.979 3.150 -5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.421 3.466 -4.680 1.00 0.00 H new ATOM 355 N ALA A 23 12.916 0.413 -1.435 1.00 0.00 N ATOM 356 CA ALA A 23 11.584 0.265 -0.867 1.00 0.00 C ATOM 357 C ALA A 23 11.461 1.048 0.440 1.00 0.00 C ATOM 358 O ALA A 23 10.362 1.405 0.861 1.00 0.00 O ATOM 359 CB ALA A 23 11.262 -1.206 -0.643 1.00 0.00 C ATOM 0 H ALA A 23 13.500 -0.421 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 23 10.863 0.673 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.263 -1.299 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.302 -1.736 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.990 -1.637 0.044 1.00 0.00 H new ATOM 365 N ASP A 24 12.603 1.316 1.072 1.00 0.00 N ATOM 366 CA ASP A 24 12.633 2.059 2.326 1.00 0.00 C ATOM 367 C ASP A 24 12.552 3.558 2.064 1.00 0.00 C ATOM 368 O ASP A 24 11.879 4.289 2.788 1.00 0.00 O ATOM 369 CB ASP A 24 13.908 1.733 3.108 1.00 0.00 C ATOM 370 CG ASP A 24 13.659 1.632 4.601 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.109 2.593 5.177 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.016 0.592 5.191 1.00 0.00 O ATOM 0 H ASP A 24 13.521 1.028 0.733 1.00 0.00 H new ATOM 0 HA ASP A 24 11.768 1.762 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.322 0.792 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.655 2.504 2.918 1.00 0.00 H new ATOM 377 N SER A 25 13.228 4.007 1.011 1.00 0.00 N ATOM 378 CA SER A 25 13.212 5.417 0.644 1.00 0.00 C ATOM 379 C SER A 25 11.800 5.830 0.253 1.00 0.00 C ATOM 380 O SER A 25 11.347 6.932 0.562 1.00 0.00 O ATOM 381 CB SER A 25 14.178 5.682 -0.512 1.00 0.00 C ATOM 382 OG SER A 25 14.294 7.070 -0.771 1.00 0.00 O ATOM 0 H SER A 25 13.792 3.417 0.399 1.00 0.00 H new ATOM 0 HA SER A 25 13.534 6.007 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.158 5.270 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.827 5.170 -1.408 1.00 0.00 H new ATOM 0 HG SER A 25 14.918 7.213 -1.513 1.00 0.00 H new ATOM 388 N LEU A 26 11.107 4.917 -0.422 1.00 0.00 N ATOM 389 CA LEU A 26 9.739 5.148 -0.858 1.00 0.00 C ATOM 390 C LEU A 26 8.806 5.226 0.350 1.00 0.00 C ATOM 391 O LEU A 26 7.977 6.127 0.454 1.00 0.00 O ATOM 392 CB LEU A 26 9.307 4.024 -1.802 1.00 0.00 C ATOM 393 CG LEU A 26 7.957 4.215 -2.496 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.913 5.537 -3.253 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.681 3.054 -3.442 1.00 0.00 C ATOM 0 H LEU A 26 11.478 4.002 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 26 9.685 6.097 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.073 3.904 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.274 3.093 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 26 7.182 4.238 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.942 5.647 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.067 6.361 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.699 5.550 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.717 3.203 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.466 3.006 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.662 2.122 -2.878 1.00 0.00 H new ATOM 407 N ALA A 27 8.957 4.282 1.272 1.00 0.00 N ATOM 408 CA ALA A 27 8.135 4.266 2.475 1.00 0.00 C ATOM 409 C ALA A 27 8.321 5.556 3.271 1.00 0.00 C ATOM 410 O ALA A 27 7.432 5.982 4.010 1.00 0.00 O ATOM 411 CB ALA A 27 8.481 3.058 3.335 1.00 0.00 C ATOM 0 H ALA A 27 9.636 3.523 1.210 1.00 0.00 H new ATOM 0 HA ALA A 27 7.089 4.195 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.859 3.059 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.300 2.144 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.531 3.105 3.623 1.00 0.00 H new ATOM 417 N SER A 28 9.487 6.174 3.106 1.00 0.00 N ATOM 418 CA SER A 28 9.808 7.416 3.798 1.00 0.00 C ATOM 419 C SER A 28 9.065 8.598 3.178 1.00 0.00 C ATOM 420 O SER A 28 8.570 9.473 3.890 1.00 0.00 O ATOM 421 CB SER A 28 11.315 7.673 3.760 1.00 0.00 C ATOM 422 OG SER A 28 11.953 7.126 4.903 1.00 0.00 O ATOM 0 H SER A 28 10.228 5.831 2.495 1.00 0.00 H new ATOM 0 HA SER A 28 9.489 7.313 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.740 7.234 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.504 8.746 3.712 1.00 0.00 H new ATOM 0 HG SER A 28 12.916 7.301 4.855 1.00 0.00 H new ATOM 428 N ASN A 29 8.986 8.619 1.849 1.00 0.00 N ATOM 429 CA ASN A 29 8.302 9.698 1.149 1.00 0.00 C ATOM 430 C ASN A 29 6.842 9.774 1.571 1.00 0.00 C ATOM 431 O ASN A 29 6.335 10.845 1.904 1.00 0.00 O ATOM 432 CB ASN A 29 8.427 9.521 -0.371 1.00 0.00 C ATOM 433 CG ASN A 29 7.486 8.484 -0.959 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.921 7.420 -1.385 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.198 8.798 -1.009 1.00 0.00 N ATOM 0 H ASN A 29 9.385 7.904 1.240 1.00 0.00 H new ATOM 0 HA ASN A 29 8.779 10.640 1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.239 10.480 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.453 9.240 -0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.529 8.143 -1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.877 9.694 -0.643 1.00 0.00 H new ATOM 442 N ALA A 30 6.177 8.630 1.563 1.00 0.00 N ATOM 443 CA ALA A 30 4.778 8.565 1.956 1.00 0.00 C ATOM 444 C ALA A 30 4.618 8.978 3.412 1.00 0.00 C ATOM 445 O ALA A 30 3.656 9.657 3.775 1.00 0.00 O ATOM 446 CB ALA A 30 4.226 7.167 1.736 1.00 0.00 C ATOM 0 H ALA A 30 6.582 7.735 1.289 1.00 0.00 H new ATOM 0 HA ALA A 30 4.212 9.259 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.178 7.138 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.309 6.905 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.794 6.453 2.333 1.00 0.00 H new ATOM 452 N GLU A 31 5.575 8.570 4.242 1.00 0.00 N ATOM 453 CA GLU A 31 5.547 8.904 5.661 1.00 0.00 C ATOM 454 C GLU A 31 5.446 10.414 5.852 1.00 0.00 C ATOM 455 O GLU A 31 4.773 10.896 6.765 1.00 0.00 O ATOM 456 CB GLU A 31 6.799 8.368 6.360 1.00 0.00 C ATOM 457 CG GLU A 31 6.709 8.394 7.877 1.00 0.00 C ATOM 458 CD GLU A 31 8.070 8.409 8.542 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.047 8.826 7.886 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.162 8.003 9.720 1.00 0.00 O ATOM 0 H GLU A 31 6.377 8.009 3.956 1.00 0.00 H new ATOM 0 HA GLU A 31 4.669 8.436 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.977 7.344 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.660 8.957 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.147 9.274 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.151 7.522 8.219 1.00 0.00 H new ATOM 467 N ALA A 32 6.116 11.152 4.974 1.00 0.00 N ATOM 468 CA ALA A 32 6.106 12.609 5.020 1.00 0.00 C ATOM 469 C ALA A 32 4.677 13.129 5.028 1.00 0.00 C ATOM 470 O ALA A 32 4.303 13.936 5.879 1.00 0.00 O ATOM 471 CB ALA A 32 6.876 13.183 3.840 1.00 0.00 C ATOM 0 H ALA A 32 6.677 10.761 4.217 1.00 0.00 H new ATOM 0 HA ALA A 32 6.595 12.930 5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.859 14.272 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.908 12.834 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.413 12.855 2.909 1.00 0.00 H new ATOM 477 N LYS A 33 3.871 12.642 4.089 1.00 0.00 N ATOM 478 CA LYS A 33 2.476 13.045 4.016 1.00 0.00 C ATOM 479 C LYS A 33 1.767 12.616 5.293 1.00 0.00 C ATOM 480 O LYS A 33 0.802 13.243 5.729 1.00 0.00 O ATOM 481 CB LYS A 33 1.793 12.414 2.804 1.00 0.00 C ATOM 482 CG LYS A 33 2.127 13.098 1.492 1.00 0.00 C ATOM 483 CD LYS A 33 1.503 14.483 1.409 1.00 0.00 C ATOM 484 CE LYS A 33 2.495 15.516 0.897 1.00 0.00 C ATOM 485 NZ LYS A 33 1.839 16.529 0.023 1.00 0.00 N ATOM 0 H LYS A 33 4.159 11.973 3.375 1.00 0.00 H new ATOM 0 HA LYS A 33 2.424 14.129 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.082 11.365 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.713 12.439 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.209 13.179 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.772 12.488 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.636 14.453 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.144 14.780 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.967 16.017 1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.287 15.015 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.531 16.899 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.050 16.086 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.477 17.310 0.607 1.00 0.00 H new ATOM 499 N GLY A 34 2.276 11.543 5.892 1.00 0.00 N ATOM 500 CA GLY A 34 1.717 11.036 7.122 1.00 0.00 C ATOM 501 C GLY A 34 0.975 9.731 6.928 1.00 0.00 C ATOM 502 O GLY A 34 -0.004 9.454 7.622 1.00 0.00 O ATOM 0 H GLY A 34 3.074 11.015 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.517 10.891 7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.037 11.778 7.541 1.00 0.00 H new ATOM 506 N PHE A 35 1.449 8.925 5.986 1.00 0.00 N ATOM 507 CA PHE A 35 0.832 7.641 5.707 1.00 0.00 C ATOM 508 C PHE A 35 1.623 6.512 6.352 1.00 0.00 C ATOM 509 O PHE A 35 2.815 6.650 6.624 1.00 0.00 O ATOM 510 CB PHE A 35 0.741 7.425 4.200 1.00 0.00 C ATOM 511 CG PHE A 35 0.184 8.607 3.465 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.756 9.436 4.059 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.610 8.895 2.182 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.262 10.529 3.383 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.110 9.989 1.501 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.828 10.805 2.102 1.00 0.00 C ATOM 0 H PHE A 35 2.259 9.141 5.404 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.173 7.640 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.734 7.199 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.116 6.555 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.096 9.224 5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.341 8.258 1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.995 11.166 3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.453 10.205 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.222 11.659 1.570 1.00 0.00 H new ATOM 526 N ASP A 36 0.952 5.394 6.586 1.00 0.00 N ATOM 527 CA ASP A 36 1.593 4.237 7.186 1.00 0.00 C ATOM 528 C ASP A 36 2.288 3.411 6.112 1.00 0.00 C ATOM 529 O ASP A 36 1.663 2.574 5.462 1.00 0.00 O ATOM 530 CB ASP A 36 0.563 3.378 7.924 1.00 0.00 C ATOM 531 CG ASP A 36 0.449 3.744 9.391 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.467 4.166 9.978 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.658 3.608 9.953 1.00 0.00 O ATOM 0 H ASP A 36 -0.036 5.265 6.369 1.00 0.00 H new ATOM 0 HA ASP A 36 2.336 4.584 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.410 3.493 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.840 2.327 7.835 1.00 0.00 H new ATOM 538 N SER A 37 3.578 3.663 5.910 1.00 0.00 N ATOM 539 CA SER A 37 4.332 2.950 4.891 1.00 0.00 C ATOM 540 C SER A 37 4.755 1.578 5.388 1.00 0.00 C ATOM 541 O SER A 37 4.837 1.335 6.592 1.00 0.00 O ATOM 542 CB SER A 37 5.564 3.758 4.476 1.00 0.00 C ATOM 543 OG SER A 37 6.505 3.833 5.532 1.00 0.00 O ATOM 0 H SER A 37 4.117 4.351 6.436 1.00 0.00 H new ATOM 0 HA SER A 37 3.685 2.818 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.028 3.297 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.261 4.763 4.183 1.00 0.00 H new ATOM 0 HG SER A 37 7.113 4.585 5.375 1.00 0.00 H new ATOM 549 N ILE A 38 4.991 0.675 4.449 1.00 0.00 N ATOM 550 CA ILE A 38 5.373 -0.690 4.774 1.00 0.00 C ATOM 551 C ILE A 38 6.087 -1.347 3.596 1.00 0.00 C ATOM 552 O ILE A 38 5.728 -1.125 2.440 1.00 0.00 O ATOM 553 CB ILE A 38 4.120 -1.514 5.150 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.395 -3.019 5.062 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.957 -1.123 4.246 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.626 -3.834 6.079 1.00 0.00 C ATOM 0 H ILE A 38 4.924 0.865 3.449 1.00 0.00 H new ATOM 0 HA ILE A 38 6.056 -0.662 5.623 1.00 0.00 H new ATOM 0 HB ILE A 38 3.858 -1.291 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.141 -3.369 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.462 -3.194 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.076 -1.706 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.741 -0.062 4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.221 -1.321 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.869 -4.890 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.897 -3.511 7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.556 -3.689 5.928 1.00 0.00 H new ATOM 568 N VAL A 39 7.099 -2.154 3.894 1.00 0.00 N ATOM 569 CA VAL A 39 7.860 -2.834 2.852 1.00 0.00 C ATOM 570 C VAL A 39 7.786 -4.349 3.009 1.00 0.00 C ATOM 571 O VAL A 39 8.239 -4.899 4.013 1.00 0.00 O ATOM 572 CB VAL A 39 9.338 -2.398 2.862 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.083 -3.007 1.685 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.450 -0.881 2.845 1.00 0.00 C ATOM 0 H VAL A 39 7.411 -2.353 4.845 1.00 0.00 H new ATOM 0 HA VAL A 39 7.411 -2.552 1.900 1.00 0.00 H new ATOM 0 HB VAL A 39 9.797 -2.762 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.125 -2.688 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.035 -4.094 1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.624 -2.676 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.501 -0.594 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.974 -0.491 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.955 -0.470 3.725 1.00 0.00 H new ATOM 584 N LEU A 40 7.222 -5.026 2.008 1.00 0.00 N ATOM 585 CA LEU A 40 7.103 -6.479 2.046 1.00 0.00 C ATOM 586 C LEU A 40 7.874 -7.110 0.892 1.00 0.00 C ATOM 587 O LEU A 40 7.784 -6.661 -0.251 1.00 0.00 O ATOM 588 CB LEU A 40 5.628 -6.907 1.993 1.00 0.00 C ATOM 589 CG LEU A 40 5.236 -7.791 0.799 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.864 -9.174 0.917 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.722 -7.896 0.687 1.00 0.00 C ATOM 0 H LEU A 40 6.843 -4.592 1.166 1.00 0.00 H new ATOM 0 HA LEU A 40 7.531 -6.828 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.390 -7.443 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.008 -6.010 1.977 1.00 0.00 H new ATOM 0 HG LEU A 40 5.617 -7.324 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.571 -9.781 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.950 -9.080 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.521 -9.652 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.463 -8.526 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.319 -8.335 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.298 -6.902 0.545 1.00 0.00 H new ATOM 682 N TYR A 46 10.617 -6.154 -3.535 1.00 0.00 N ATOM 683 CA TYR A 46 10.139 -5.463 -2.345 1.00 0.00 C ATOM 684 C TYR A 46 9.030 -4.484 -2.711 1.00 0.00 C ATOM 685 O TYR A 46 9.160 -3.716 -3.663 1.00 0.00 O ATOM 686 CB TYR A 46 11.283 -4.721 -1.652 1.00 0.00 C ATOM 687 CG TYR A 46 12.220 -5.627 -0.887 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.093 -6.474 -1.555 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.232 -5.635 0.502 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.953 -7.304 -0.861 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.088 -6.463 1.203 1.00 0.00 C ATOM 692 CZ TYR A 46 13.947 -7.295 0.516 1.00 0.00 C ATOM 693 OH TYR A 46 14.803 -8.119 1.212 1.00 0.00 O ATOM 0 HA TYR A 46 9.742 -6.208 -1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.854 -4.171 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.864 -3.984 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.101 -6.485 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.562 -4.984 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.627 -7.957 -1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.084 -6.459 2.283 1.00 0.00 H new ATOM 0 HH TYR A 46 14.672 -7.989 2.174 1.00 0.00 H new ATOM 703 N LYS A 47 7.941 -4.516 -1.954 1.00 0.00 N ATOM 704 CA LYS A 47 6.813 -3.632 -2.206 1.00 0.00 C ATOM 705 C LYS A 47 6.730 -2.527 -1.171 1.00 0.00 C ATOM 706 O LYS A 47 7.113 -2.710 -0.019 1.00 0.00 O ATOM 707 CB LYS A 47 5.508 -4.421 -2.215 1.00 0.00 C ATOM 708 CG LYS A 47 5.093 -4.854 -3.601 1.00 0.00 C ATOM 709 CD LYS A 47 5.881 -6.067 -4.048 1.00 0.00 C ATOM 710 CE LYS A 47 5.108 -7.347 -3.801 1.00 0.00 C ATOM 711 NZ LYS A 47 4.500 -7.880 -5.051 1.00 0.00 N ATOM 0 H LYS A 47 7.816 -5.145 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 47 6.969 -3.176 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.617 -5.302 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.717 -3.811 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.028 -5.084 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.249 -4.035 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.116 -5.980 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.830 -6.104 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.774 -8.096 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.324 -7.161 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.980 -8.756 -4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.845 -7.176 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.250 -8.082 -5.743 1.00 0.00 H new ATOM 725 N VAL A 48 6.217 -1.386 -1.599 1.00 0.00 N ATOM 726 CA VAL A 48 6.060 -0.238 -0.726 1.00 0.00 C ATOM 727 C VAL A 48 4.597 0.190 -0.673 1.00 0.00 C ATOM 728 O VAL A 48 4.092 0.838 -1.590 1.00 0.00 O ATOM 729 CB VAL A 48 6.941 0.930 -1.199 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.733 2.159 -0.326 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.402 0.508 -1.208 1.00 0.00 C ATOM 0 H VAL A 48 5.900 -1.231 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 48 6.379 -0.523 0.277 1.00 0.00 H new ATOM 0 HB VAL A 48 6.650 1.196 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.368 2.970 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.689 2.467 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.993 1.921 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.019 1.341 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.703 0.217 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.533 -0.337 -1.885 1.00 0.00 H new ATOM 741 N GLN A 49 3.920 -0.197 0.402 1.00 0.00 N ATOM 742 CA GLN A 49 2.507 0.118 0.576 1.00 0.00 C ATOM 743 C GLN A 49 2.300 1.200 1.632 1.00 0.00 C ATOM 744 O GLN A 49 2.980 1.225 2.657 1.00 0.00 O ATOM 745 CB GLN A 49 1.739 -1.147 0.967 1.00 0.00 C ATOM 746 CG GLN A 49 0.240 -1.053 0.735 1.00 0.00 C ATOM 747 CD GLN A 49 -0.482 -2.340 1.086 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.965 -3.052 0.206 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.562 -2.643 2.375 1.00 0.00 N ATOM 0 H GLN A 49 4.329 -0.731 1.169 1.00 0.00 H new ATOM 0 HA GLN A 49 2.127 0.500 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.133 -1.990 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.921 -1.360 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.167 -0.237 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.052 -0.808 -0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.147 -2.024 3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.038 -3.495 2.670 1.00 0.00 H new ATOM 758 N ILE A 50 1.343 2.086 1.376 1.00 0.00 N ATOM 759 CA ILE A 50 1.021 3.164 2.295 1.00 0.00 C ATOM 760 C ILE A 50 -0.487 3.305 2.482 1.00 0.00 C ATOM 761 O ILE A 50 -1.237 3.493 1.527 1.00 0.00 O ATOM 762 CB ILE A 50 1.635 4.495 1.838 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.283 4.799 0.378 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.143 4.435 2.029 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.202 5.843 0.221 1.00 0.00 C ATOM 0 H ILE A 50 0.774 2.075 0.530 1.00 0.00 H new ATOM 0 HA ILE A 50 1.459 2.905 3.259 1.00 0.00 H new ATOM 0 HB ILE A 50 1.222 5.303 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.180 5.136 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.961 3.878 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.588 5.376 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.370 4.268 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.553 3.618 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.005 6.007 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.709 5.500 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.529 6.777 0.678 1.00 0.00 H new ATOM 777 N GLY A 51 -0.902 3.217 3.736 1.00 0.00 N ATOM 778 CA GLY A 51 -2.306 3.337 4.085 1.00 0.00 C ATOM 779 C GLY A 51 -3.088 2.062 3.841 1.00 0.00 C ATOM 780 O GLY A 51 -3.397 1.724 2.699 1.00 0.00 O ATOM 0 H GLY A 51 -0.282 3.062 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.391 3.613 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.751 4.146 3.506 1.00 0.00 H new ATOM 784 N ALA A 52 -3.418 1.358 4.919 1.00 0.00 N ATOM 785 CA ALA A 52 -4.179 0.117 4.826 1.00 0.00 C ATOM 786 C ALA A 52 -5.381 0.159 5.761 1.00 0.00 C ATOM 787 O ALA A 52 -5.225 0.229 6.981 1.00 0.00 O ATOM 788 CB ALA A 52 -3.291 -1.074 5.150 1.00 0.00 C ATOM 0 H ALA A 52 -3.169 1.627 5.871 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.542 0.008 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.873 -1.993 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.462 -1.112 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.901 -0.972 6.163 1.00 0.00 H new ATOM 794 N PHE A 53 -6.580 0.130 5.189 1.00 0.00 N ATOM 795 CA PHE A 53 -7.802 0.180 5.984 1.00 0.00 C ATOM 796 C PHE A 53 -8.808 -0.872 5.531 1.00 0.00 C ATOM 797 O PHE A 53 -8.626 -1.524 4.499 1.00 0.00 O ATOM 798 CB PHE A 53 -8.440 1.572 5.896 1.00 0.00 C ATOM 799 CG PHE A 53 -7.442 2.692 5.807 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.710 2.894 4.647 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.236 3.542 6.883 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.791 3.923 4.562 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.318 4.572 6.803 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.595 4.763 5.641 1.00 0.00 C ATOM 0 H PHE A 53 -6.732 0.072 4.182 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.528 -0.031 7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.092 1.608 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.071 1.728 6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.859 2.240 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.799 3.398 7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.227 4.070 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.166 5.227 7.648 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.878 5.568 5.576 1.00 0.00 H new ATOM 814 N SER A 54 -9.872 -1.025 6.313 1.00 0.00 N ATOM 815 CA SER A 54 -10.921 -1.989 6.006 1.00 0.00 C ATOM 816 C SER A 54 -11.874 -1.436 4.947 1.00 0.00 C ATOM 817 O SER A 54 -12.611 -2.190 4.311 1.00 0.00 O ATOM 818 CB SER A 54 -11.696 -2.353 7.274 1.00 0.00 C ATOM 819 OG SER A 54 -11.599 -3.740 7.550 1.00 0.00 O ATOM 0 H SER A 54 -10.030 -0.491 7.167 1.00 0.00 H new ATOM 0 HA SER A 54 -10.451 -2.889 5.609 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.307 -1.783 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.743 -2.075 7.157 1.00 0.00 H new ATOM 0 HG SER A 54 -12.101 -3.947 8.366 1.00 0.00 H new ATOM 825 N SER A 55 -11.856 -0.117 4.762 1.00 0.00 N ATOM 826 CA SER A 55 -12.720 0.529 3.779 1.00 0.00 C ATOM 827 C SER A 55 -11.900 1.149 2.650 1.00 0.00 C ATOM 828 O SER A 55 -10.905 1.832 2.892 1.00 0.00 O ATOM 829 CB SER A 55 -13.577 1.605 4.451 1.00 0.00 C ATOM 830 OG SER A 55 -14.842 1.088 4.828 1.00 0.00 O ATOM 0 H SER A 55 -11.253 0.523 5.279 1.00 0.00 H new ATOM 0 HA SER A 55 -13.371 -0.233 3.352 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.061 1.989 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.712 2.445 3.769 1.00 0.00 H new ATOM 0 HG SER A 55 -15.370 1.794 5.256 1.00 0.00 H new ATOM 836 N LYS A 56 -12.322 0.898 1.414 1.00 0.00 N ATOM 837 CA LYS A 56 -11.628 1.423 0.245 1.00 0.00 C ATOM 838 C LYS A 56 -11.566 2.947 0.271 1.00 0.00 C ATOM 839 O LYS A 56 -10.560 3.539 -0.117 1.00 0.00 O ATOM 840 CB LYS A 56 -12.312 0.964 -1.036 1.00 0.00 C ATOM 841 CG LYS A 56 -11.546 1.355 -2.287 1.00 0.00 C ATOM 842 CD LYS A 56 -11.599 0.259 -3.335 1.00 0.00 C ATOM 843 CE LYS A 56 -13.004 0.077 -3.885 1.00 0.00 C ATOM 844 NZ LYS A 56 -12.994 -0.255 -5.338 1.00 0.00 N ATOM 0 H LYS A 56 -13.143 0.333 1.197 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.610 1.035 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.429 -0.119 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.314 1.392 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.963 2.274 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.508 1.564 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.917 0.501 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.254 -0.679 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.509 -0.717 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.577 0.990 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.971 -0.371 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.535 0.514 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.469 -1.140 -5.488 1.00 0.00 H new ATOM 858 N ASP A 57 -12.646 3.578 0.728 1.00 0.00 N ATOM 859 CA ASP A 57 -12.709 5.036 0.800 1.00 0.00 C ATOM 860 C ASP A 57 -11.431 5.605 1.408 1.00 0.00 C ATOM 861 O ASP A 57 -10.994 6.701 1.055 1.00 0.00 O ATOM 862 CB ASP A 57 -13.920 5.479 1.623 1.00 0.00 C ATOM 863 CG ASP A 57 -14.002 4.770 2.961 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.016 4.830 3.724 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.052 4.155 3.244 1.00 0.00 O ATOM 0 H ASP A 57 -13.488 3.103 1.053 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.811 5.420 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.869 6.555 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.831 5.286 1.056 1.00 0.00 H new ATOM 870 N ASN A 58 -10.838 4.844 2.319 1.00 0.00 N ATOM 871 CA ASN A 58 -9.605 5.262 2.975 1.00 0.00 C ATOM 872 C ASN A 58 -8.432 5.172 2.008 1.00 0.00 C ATOM 873 O ASN A 58 -7.654 6.116 1.866 1.00 0.00 O ATOM 874 CB ASN A 58 -9.339 4.396 4.208 1.00 0.00 C ATOM 875 CG ASN A 58 -10.446 4.500 5.237 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.556 5.499 5.949 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.276 3.467 5.320 1.00 0.00 N ATOM 0 H ASN A 58 -11.190 3.935 2.620 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.717 6.299 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.229 3.356 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.395 4.696 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.042 3.481 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.148 2.659 4.710 1.00 0.00 H new ATOM 884 N ALA A 59 -8.314 4.029 1.341 1.00 0.00 N ATOM 885 CA ALA A 59 -7.244 3.806 0.378 1.00 0.00 C ATOM 886 C ALA A 59 -7.270 4.851 -0.727 1.00 0.00 C ATOM 887 O ALA A 59 -6.235 5.388 -1.106 1.00 0.00 O ATOM 888 CB ALA A 59 -7.358 2.410 -0.211 1.00 0.00 C ATOM 0 H ALA A 59 -8.950 3.239 1.451 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.291 3.897 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.554 2.252 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.282 1.671 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.320 2.304 -0.713 1.00 0.00 H new ATOM 894 N ASP A 60 -8.462 5.135 -1.248 1.00 0.00 N ATOM 895 CA ASP A 60 -8.612 6.119 -2.314 1.00 0.00 C ATOM 896 C ASP A 60 -8.103 7.487 -1.870 1.00 0.00 C ATOM 897 O ASP A 60 -7.303 8.116 -2.563 1.00 0.00 O ATOM 898 CB ASP A 60 -10.079 6.222 -2.739 1.00 0.00 C ATOM 899 CG ASP A 60 -10.539 5.007 -3.520 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.874 4.655 -4.519 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.566 4.409 -3.137 1.00 0.00 O ATOM 0 H ASP A 60 -9.334 4.699 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.016 5.788 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.704 6.340 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.217 7.116 -3.348 1.00 0.00 H new ATOM 906 N THR A 61 -8.570 7.940 -0.711 1.00 0.00 N ATOM 907 CA THR A 61 -8.162 9.234 -0.175 1.00 0.00 C ATOM 908 C THR A 61 -6.650 9.287 0.020 1.00 0.00 C ATOM 909 O THR A 61 -6.022 10.322 -0.203 1.00 0.00 O ATOM 910 CB THR A 61 -8.869 9.504 1.154 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.233 9.129 1.080 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.817 10.958 1.575 1.00 0.00 C ATOM 0 H THR A 61 -9.231 7.430 -0.125 1.00 0.00 H new ATOM 0 HA THR A 61 -8.446 10.004 -0.892 1.00 0.00 H new ATOM 0 HB THR A 61 -8.333 8.908 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.324 8.179 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.337 11.080 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.778 11.267 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.299 11.574 0.816 1.00 0.00 H new ATOM 920 N LEU A 62 -6.072 8.159 0.419 1.00 0.00 N ATOM 921 CA LEU A 62 -4.633 8.061 0.634 1.00 0.00 C ATOM 922 C LEU A 62 -3.903 8.142 -0.678 1.00 0.00 C ATOM 923 O LEU A 62 -2.954 8.907 -0.846 1.00 0.00 O ATOM 924 CB LEU A 62 -4.287 6.709 1.245 1.00 0.00 C ATOM 925 CG LEU A 62 -3.072 6.706 2.168 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.912 7.436 1.513 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.420 7.342 3.505 1.00 0.00 C ATOM 0 H LEU A 62 -6.582 7.295 0.601 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.341 8.878 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.150 6.350 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.112 5.997 0.438 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.772 5.674 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.052 7.426 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.651 6.939 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.200 8.467 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.543 7.332 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.742 8.371 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.225 6.779 3.977 1.00 0.00 H new ATOM 939 N ALA A 63 -4.343 7.299 -1.596 1.00 0.00 N ATOM 940 CA ALA A 63 -3.729 7.215 -2.892 1.00 0.00 C ATOM 941 C ALA A 63 -3.674 8.583 -3.561 1.00 0.00 C ATOM 942 O ALA A 63 -2.598 9.086 -3.884 1.00 0.00 O ATOM 943 CB ALA A 63 -4.464 6.213 -3.769 1.00 0.00 C ATOM 0 H ALA A 63 -5.128 6.663 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.705 6.867 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.984 6.164 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.435 5.229 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.501 6.527 -3.890 1.00 0.00 H new ATOM 949 N ALA A 64 -4.845 9.187 -3.755 1.00 0.00 N ATOM 950 CA ALA A 64 -4.932 10.505 -4.373 1.00 0.00 C ATOM 951 C ALA A 64 -4.017 11.487 -3.657 1.00 0.00 C ATOM 952 O ALA A 64 -3.401 12.350 -4.283 1.00 0.00 O ATOM 953 CB ALA A 64 -6.369 11.004 -4.357 1.00 0.00 C ATOM 0 H ALA A 64 -5.745 8.784 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.607 10.425 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.417 11.989 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.001 10.310 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.719 11.071 -3.327 1.00 0.00 H new ATOM 959 N ARG A 65 -3.917 11.333 -2.340 1.00 0.00 N ATOM 960 CA ARG A 65 -3.060 12.186 -1.536 1.00 0.00 C ATOM 961 C ARG A 65 -1.604 11.956 -1.916 1.00 0.00 C ATOM 962 O ARG A 65 -0.811 12.896 -1.990 1.00 0.00 O ATOM 963 CB ARG A 65 -3.271 11.890 -0.049 1.00 0.00 C ATOM 964 CG ARG A 65 -3.084 13.098 0.849 1.00 0.00 C ATOM 965 CD ARG A 65 -3.615 12.831 2.248 1.00 0.00 C ATOM 966 NE ARG A 65 -4.487 13.906 2.718 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.392 13.757 3.684 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.544 12.588 4.291 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.147 14.788 4.046 1.00 0.00 N ATOM 0 H ARG A 65 -4.422 10.623 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.316 13.229 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.277 11.495 0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.575 11.109 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.026 13.355 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.599 13.957 0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.165 11.890 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.778 12.715 2.937 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.397 14.823 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.965 11.793 4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.240 12.484 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.033 15.691 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.841 14.677 4.785 1.00 0.00 H new ATOM 983 N ALA A 66 -1.265 10.695 -2.171 1.00 0.00 N ATOM 984 CA ALA A 66 0.086 10.335 -2.567 1.00 0.00 C ATOM 985 C ALA A 66 0.398 10.939 -3.923 1.00 0.00 C ATOM 986 O ALA A 66 1.486 11.470 -4.142 1.00 0.00 O ATOM 987 CB ALA A 66 0.257 8.825 -2.584 1.00 0.00 C ATOM 0 H ALA A 66 -1.911 9.908 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 66 0.791 10.736 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.276 8.578 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.064 8.426 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.446 8.387 -3.293 1.00 0.00 H new ATOM 993 N LYS A 67 -0.574 10.880 -4.828 1.00 0.00 N ATOM 994 CA LYS A 67 -0.406 11.447 -6.154 1.00 0.00 C ATOM 995 C LYS A 67 -0.177 12.948 -6.044 1.00 0.00 C ATOM 996 O LYS A 67 0.744 13.497 -6.646 1.00 0.00 O ATOM 997 CB LYS A 67 -1.632 11.163 -7.023 1.00 0.00 C ATOM 998 CG LYS A 67 -1.749 9.708 -7.453 1.00 0.00 C ATOM 999 CD LYS A 67 -3.123 9.140 -7.137 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.488 8.003 -8.078 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.973 8.505 -9.393 1.00 0.00 N ATOM 0 H LYS A 67 -1.482 10.446 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 67 0.461 10.984 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.530 11.444 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.592 11.794 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.559 9.628 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.985 9.116 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.141 8.781 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.870 9.930 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.618 7.365 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.259 7.385 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.211 7.699 -10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.819 9.093 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.228 9.074 -9.844 1.00 0.00 H new ATOM 1015 N ASN A 68 -1.009 13.597 -5.239 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.892 15.030 -5.010 1.00 0.00 C ATOM 1017 C ASN A 68 0.370 15.322 -4.204 1.00 0.00 C ATOM 1018 O ASN A 68 0.935 16.412 -4.281 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.124 15.545 -4.264 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.384 17.015 -4.526 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.563 17.705 -5.130 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -3.532 17.503 -4.068 1.00 0.00 N ATOM 0 H ASN A 68 -1.774 13.151 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.826 15.540 -5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.997 14.965 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.990 15.387 -3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.762 18.486 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.183 16.894 -3.572 1.00 0.00 H new ATOM 1029 N ALA A 69 0.802 14.326 -3.433 1.00 0.00 N ATOM 1030 CA ALA A 69 1.992 14.443 -2.605 1.00 0.00 C ATOM 1031 C ALA A 69 3.264 14.316 -3.437 1.00 0.00 C ATOM 1032 O ALA A 69 4.332 14.774 -3.029 1.00 0.00 O ATOM 1033 CB ALA A 69 1.973 13.372 -1.525 1.00 0.00 C ATOM 0 H ALA A 69 0.337 13.421 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 69 1.988 15.431 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.866 13.463 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.087 13.498 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.953 12.386 -1.990 1.00 0.00 H new ATOM 1039 N GLY A 70 3.146 13.682 -4.599 1.00 0.00 N ATOM 1040 CA GLY A 70 4.294 13.491 -5.463 1.00 0.00 C ATOM 1041 C GLY A 70 4.687 12.032 -5.548 1.00 0.00 C ATOM 1042 O GLY A 70 5.839 11.705 -5.836 1.00 0.00 O ATOM 0 H GLY A 70 2.273 13.296 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.066 13.866 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.135 14.074 -5.087 1.00 0.00 H new ATOM 1046 N PHE A 71 3.723 11.157 -5.284 1.00 0.00 N ATOM 1047 CA PHE A 71 3.951 9.722 -5.311 1.00 0.00 C ATOM 1048 C PHE A 71 2.853 9.043 -6.121 1.00 0.00 C ATOM 1049 O PHE A 71 1.718 9.513 -6.147 1.00 0.00 O ATOM 1050 CB PHE A 71 3.955 9.171 -3.883 1.00 0.00 C ATOM 1051 CG PHE A 71 4.456 10.156 -2.859 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.677 10.789 -3.028 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.697 10.456 -1.738 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.133 11.702 -2.096 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.148 11.370 -0.804 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.367 11.995 -0.983 1.00 0.00 C ATOM 0 H PHE A 71 2.767 11.423 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 71 4.917 9.521 -5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.943 8.866 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.577 8.276 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.279 10.567 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.743 9.970 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.088 12.187 -2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.548 11.595 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.721 12.711 -0.255 1.00 0.00 H new ATOM 1066 N ASP A 72 3.181 7.941 -6.778 1.00 0.00 N ATOM 1067 CA ASP A 72 2.195 7.223 -7.579 1.00 0.00 C ATOM 1068 C ASP A 72 1.518 6.131 -6.759 1.00 0.00 C ATOM 1069 O ASP A 72 1.811 4.949 -6.930 1.00 0.00 O ATOM 1070 CB ASP A 72 2.860 6.615 -8.814 1.00 0.00 C ATOM 1071 CG ASP A 72 1.856 6.252 -9.891 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.734 5.830 -9.539 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.192 6.388 -11.087 1.00 0.00 O ATOM 0 H ASP A 72 4.113 7.525 -6.775 1.00 0.00 H new ATOM 0 HA ASP A 72 1.433 7.934 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.584 7.322 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.415 5.723 -8.523 1.00 0.00 H new ATOM 1078 N ALA A 73 0.605 6.527 -5.870 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.106 5.565 -5.034 1.00 0.00 C ATOM 1080 C ALA A 73 -1.346 5.015 -5.728 1.00 0.00 C ATOM 1081 O ALA A 73 -2.070 5.740 -6.410 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.499 6.206 -3.712 1.00 0.00 C ATOM 0 H ALA A 73 0.344 7.500 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 73 0.572 4.731 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.029 5.478 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.397 6.539 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.148 7.061 -3.901 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.590 3.723 -5.530 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.747 3.054 -6.110 1.00 0.00 C ATOM 1090 C ILE A 74 -3.438 2.199 -5.054 1.00 0.00 C ATOM 1091 O ILE A 74 -2.792 1.712 -4.131 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.349 2.161 -7.301 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.224 1.204 -6.901 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.929 3.017 -8.488 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.428 -0.210 -7.399 1.00 0.00 C ATOM 0 H ILE A 74 -0.995 3.115 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.426 3.826 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.215 1.567 -7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.279 1.584 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.140 1.189 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.651 2.372 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.759 3.658 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.076 3.635 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.593 -0.833 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.356 -0.609 -6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.482 -0.208 -8.488 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.742 2.012 -5.190 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.490 1.210 -4.229 1.00 0.00 C ATOM 1109 C VAL A 75 -5.762 -0.186 -4.776 1.00 0.00 C ATOM 1110 O VAL A 75 -6.106 -0.351 -5.945 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.822 1.880 -3.836 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.635 0.973 -2.918 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.558 3.221 -3.169 1.00 0.00 C ATOM 0 H VAL A 75 -5.302 2.400 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.870 1.130 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.404 2.050 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.570 1.467 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.852 0.036 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.065 0.767 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.506 3.685 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.957 3.069 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.022 3.872 -3.860 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.604 -1.187 -3.917 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.830 -2.570 -4.310 1.00 0.00 C ATOM 1125 C ILE A 76 -6.565 -3.340 -3.218 1.00 0.00 C ATOM 1126 O ILE A 76 -6.254 -3.210 -2.029 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.503 -3.286 -4.623 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.495 -3.055 -3.496 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.943 -2.805 -5.952 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.560 -4.224 -3.272 1.00 0.00 C ATOM 0 H ILE A 76 -5.320 -1.065 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.445 -2.547 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.693 -4.357 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.905 -2.167 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.036 -2.851 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.005 -3.320 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.658 -3.019 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.764 -1.731 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.873 -3.990 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.140 -5.110 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.992 -4.415 -4.183 1.00 0.00 H new