USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=9 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 Set 1.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 GLN : amide:sc= -4.64! C(o=-4.6!,f=-4.4!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.46) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= -0.0179 (180deg=-1.34) USER MOD Single : A 22 ASN : amide:sc= -0.963 K(o=-0.96,f=-1.8) 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= -16.9! C(o=-17!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -163:sc= -0.237 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 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= -0.664 K(o=-0.66,f=-0.034) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0577 K(o=-0.058,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.110 -6.426 1.668 1.00 0.00 N ATOM 121 CA LEU A 9 -8.542 -5.285 2.370 1.00 0.00 C ATOM 122 C LEU A 9 -8.197 -4.186 1.385 1.00 0.00 C ATOM 123 O LEU A 9 -7.697 -4.455 0.293 1.00 0.00 O ATOM 124 CB LEU A 9 -7.296 -5.704 3.152 1.00 0.00 C ATOM 125 CG LEU A 9 -7.547 -6.703 4.286 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.470 -7.777 4.302 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.606 -5.984 5.627 1.00 0.00 C ATOM 0 HA LEU A 9 -9.282 -4.907 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.579 -6.140 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.832 -4.811 3.571 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.509 -7.186 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.666 -8.477 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.476 -8.312 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.495 -7.313 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.785 -6.709 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.660 -5.474 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.415 -5.254 5.613 1.00 0.00 H new ATOM 139 N TYR A 10 -8.454 -2.948 1.774 1.00 0.00 N ATOM 140 CA TYR A 10 -8.158 -1.818 0.918 1.00 0.00 C ATOM 141 C TYR A 10 -6.872 -1.148 1.369 1.00 0.00 C ATOM 142 O TYR A 10 -6.841 -0.459 2.391 1.00 0.00 O ATOM 143 CB TYR A 10 -9.315 -0.824 0.926 1.00 0.00 C ATOM 144 CG TYR A 10 -10.659 -1.471 0.670 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.003 -1.920 -0.598 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.582 -1.638 1.693 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.225 -2.516 -0.841 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.808 -2.232 1.461 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.125 -2.670 0.192 1.00 0.00 C ATOM 150 OH TYR A 10 -14.344 -3.261 -0.044 1.00 0.00 O ATOM 0 H TYR A 10 -8.866 -2.703 2.675 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.025 -2.175 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.342 -0.315 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.136 -0.062 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.301 -1.801 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.338 -1.298 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.474 -2.859 -1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.514 -2.353 2.269 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.859 -3.294 0.789 1.00 0.00 H new ATOM 160 N LYS A 11 -5.816 -1.350 0.598 1.00 0.00 N ATOM 161 CA LYS A 11 -4.519 -0.759 0.911 1.00 0.00 C ATOM 162 C LYS A 11 -3.992 0.031 -0.280 1.00 0.00 C ATOM 163 O LYS A 11 -4.369 -0.236 -1.421 1.00 0.00 O ATOM 164 CB LYS A 11 -3.517 -1.847 1.301 1.00 0.00 C ATOM 165 CG LYS A 11 -4.066 -2.853 2.301 1.00 0.00 C ATOM 166 CD LYS A 11 -3.544 -4.254 2.025 1.00 0.00 C ATOM 167 CE LYS A 11 -3.861 -5.201 3.169 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.904 -5.048 4.300 1.00 0.00 N ATOM 0 H LYS A 11 -5.828 -1.918 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.647 -0.080 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.201 -2.377 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.629 -1.376 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.788 -2.552 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.155 -2.854 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.986 -4.633 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.466 -4.218 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.875 -5.015 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.834 -6.229 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.156 -5.712 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.939 -5.251 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.948 -4.074 4.663 1.00 0.00 H new ATOM 182 N VAL A 12 -3.120 1.003 -0.021 1.00 0.00 N ATOM 183 CA VAL A 12 -2.560 1.809 -1.100 1.00 0.00 C ATOM 184 C VAL A 12 -1.099 1.433 -1.339 1.00 0.00 C ATOM 185 O VAL A 12 -0.373 1.130 -0.400 1.00 0.00 O ATOM 186 CB VAL A 12 -2.669 3.334 -0.824 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.041 4.082 -2.087 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.690 3.651 0.262 1.00 0.00 C ATOM 0 H VAL A 12 -2.790 1.248 0.913 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.149 1.595 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.688 3.658 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.112 5.148 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.277 3.916 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.002 3.721 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.731 4.729 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.672 3.292 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.399 3.159 1.190 1.00 0.00 H new ATOM 198 N GLN A 13 -0.680 1.433 -2.601 1.00 0.00 N ATOM 199 CA GLN A 13 0.695 1.073 -2.951 1.00 0.00 C ATOM 200 C GLN A 13 1.278 2.049 -3.965 1.00 0.00 C ATOM 201 O GLN A 13 0.634 2.386 -4.957 1.00 0.00 O ATOM 202 CB GLN A 13 0.743 -0.351 -3.510 1.00 0.00 C ATOM 203 CG GLN A 13 2.152 -0.911 -3.621 1.00 0.00 C ATOM 204 CD GLN A 13 2.410 -1.581 -4.957 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.014 -1.073 -6.006 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.079 -2.727 -4.924 1.00 0.00 N ATOM 0 H GLN A 13 -1.269 1.677 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 13 1.297 1.123 -2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.150 -1.004 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.277 -0.362 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.872 -0.105 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.317 -1.631 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.388 -3.111 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.284 -3.223 -5.791 1.00 0.00 H new ATOM 215 N ILE A 14 2.498 2.513 -3.704 1.00 0.00 N ATOM 216 CA ILE A 14 3.148 3.468 -4.595 1.00 0.00 C ATOM 217 C ILE A 14 4.265 2.844 -5.429 1.00 0.00 C ATOM 218 O ILE A 14 4.817 3.506 -6.308 1.00 0.00 O ATOM 219 CB ILE A 14 3.716 4.673 -3.822 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.669 4.197 -2.718 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.583 5.522 -3.263 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.199 4.489 -1.308 1.00 0.00 C ATOM 0 H ILE A 14 3.051 2.246 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 14 2.364 3.804 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 14 4.291 5.298 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.816 3.122 -2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.641 4.668 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.998 6.370 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.962 5.885 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.976 4.919 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.935 4.117 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.080 5.565 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.243 3.995 -1.134 1.00 0.00 H new ATOM 234 N GLY A 15 4.595 1.573 -5.187 1.00 0.00 N ATOM 235 CA GLY A 15 5.642 0.947 -5.982 1.00 0.00 C ATOM 236 C GLY A 15 6.284 -0.267 -5.336 1.00 0.00 C ATOM 237 O GLY A 15 6.027 -0.586 -4.176 1.00 0.00 O ATOM 0 H GLY A 15 4.169 0.980 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.222 0.651 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.417 1.686 -6.186 1.00 0.00 H new ATOM 241 N ALA A 16 7.156 -0.920 -6.106 1.00 0.00 N ATOM 242 CA ALA A 16 7.901 -2.090 -5.649 1.00 0.00 C ATOM 243 C ALA A 16 9.229 -2.170 -6.400 1.00 0.00 C ATOM 244 O ALA A 16 9.294 -1.831 -7.580 1.00 0.00 O ATOM 245 CB ALA A 16 7.091 -3.364 -5.845 1.00 0.00 C ATOM 0 H ALA A 16 7.365 -0.650 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 16 8.099 -1.989 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.669 -4.220 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.164 -3.297 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.860 -3.489 -6.903 1.00 0.00 H new ATOM 251 N PHE A 17 10.288 -2.608 -5.726 1.00 0.00 N ATOM 252 CA PHE A 17 11.597 -2.706 -6.369 1.00 0.00 C ATOM 253 C PHE A 17 12.403 -3.871 -5.808 1.00 0.00 C ATOM 254 O PHE A 17 12.237 -4.254 -4.654 1.00 0.00 O ATOM 255 CB PHE A 17 12.385 -1.406 -6.185 1.00 0.00 C ATOM 256 CG PHE A 17 11.543 -0.168 -6.288 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.829 0.293 -5.194 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.468 0.538 -7.479 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.057 1.434 -5.285 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.695 1.679 -7.575 1.00 0.00 C ATOM 261 CZ PHE A 17 9.990 2.128 -6.476 1.00 0.00 C ATOM 0 H PHE A 17 10.269 -2.897 -4.748 1.00 0.00 H new ATOM 0 HA PHE A 17 11.428 -2.879 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.873 -1.422 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.174 -1.361 -6.936 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.877 -0.246 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 17 12.020 0.192 -8.341 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.506 1.783 -4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.642 2.219 -8.509 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.387 3.021 -6.548 1.00 0.00 H new ATOM 271 N LYS A 18 13.282 -4.425 -6.635 1.00 0.00 N ATOM 272 CA LYS A 18 14.123 -5.541 -6.224 1.00 0.00 C ATOM 273 C LYS A 18 15.027 -5.156 -5.054 1.00 0.00 C ATOM 274 O LYS A 18 15.604 -6.022 -4.396 1.00 0.00 O ATOM 275 CB LYS A 18 14.981 -6.020 -7.396 1.00 0.00 C ATOM 276 CG LYS A 18 14.185 -6.296 -8.662 1.00 0.00 C ATOM 277 CD LYS A 18 14.939 -5.854 -9.905 1.00 0.00 C ATOM 278 CE LYS A 18 14.428 -6.567 -11.148 1.00 0.00 C ATOM 279 NZ LYS A 18 15.495 -6.725 -12.176 1.00 0.00 N ATOM 0 H LYS A 18 13.430 -4.118 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 18 13.465 -6.347 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.740 -5.268 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.507 -6.928 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.965 -7.361 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.229 -5.776 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.833 -4.777 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.002 -6.057 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.043 -7.548 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.595 -6.006 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.107 -7.215 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.846 -5.788 -12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.279 -7.283 -11.780 1.00 0.00 H new ATOM 293 N VAL A 19 15.162 -3.854 -4.804 1.00 0.00 N ATOM 294 CA VAL A 19 16.013 -3.374 -3.724 1.00 0.00 C ATOM 295 C VAL A 19 15.201 -2.877 -2.532 1.00 0.00 C ATOM 296 O VAL A 19 14.300 -2.051 -2.678 1.00 0.00 O ATOM 297 CB VAL A 19 16.932 -2.236 -4.203 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.936 -1.863 -3.121 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.646 -2.626 -5.490 1.00 0.00 C ATOM 0 H VAL A 19 14.694 -3.119 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 19 16.615 -4.226 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 19 16.313 -1.362 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.576 -1.057 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.404 -1.533 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.549 -2.731 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.290 -1.808 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.250 -3.516 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.909 -2.834 -6.266 1.00 0.00 H new ATOM 309 N LYS A 20 15.540 -3.385 -1.353 1.00 0.00 N ATOM 310 CA LYS A 20 14.871 -3.006 -0.120 1.00 0.00 C ATOM 311 C LYS A 20 15.191 -1.564 0.237 1.00 0.00 C ATOM 312 O LYS A 20 14.308 -0.806 0.631 1.00 0.00 O ATOM 313 CB LYS A 20 15.297 -3.930 1.020 1.00 0.00 C ATOM 314 CG LYS A 20 14.522 -3.706 2.310 1.00 0.00 C ATOM 315 CD LYS A 20 15.384 -3.044 3.373 1.00 0.00 C ATOM 316 CE LYS A 20 14.662 -1.878 4.031 1.00 0.00 C ATOM 317 NZ LYS A 20 15.609 -0.919 4.666 1.00 0.00 N ATOM 0 H LYS A 20 16.285 -4.070 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 20 13.796 -3.100 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.168 -4.965 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.360 -3.786 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.650 -3.084 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.152 -4.661 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.657 -3.778 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.312 -2.691 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.063 -1.355 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.972 -2.258 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.145 -0.455 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.451 -1.431 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.894 -0.200 3.970 1.00 0.00 H new ATOM 331 N ALA A 21 16.457 -1.178 0.083 1.00 0.00 N ATOM 332 CA ALA A 21 16.873 0.187 0.377 1.00 0.00 C ATOM 333 C ALA A 21 16.031 1.169 -0.421 1.00 0.00 C ATOM 334 O ALA A 21 15.746 2.278 0.032 1.00 0.00 O ATOM 335 CB ALA A 21 18.350 0.371 0.064 1.00 0.00 C ATOM 0 H ALA A 21 17.206 -1.789 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 21 16.723 0.380 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.645 1.396 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.939 -0.317 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.526 0.166 -0.992 1.00 0.00 H new ATOM 341 N ASN A 22 15.608 0.733 -1.604 1.00 0.00 N ATOM 342 CA ASN A 22 14.768 1.549 -2.460 1.00 0.00 C ATOM 343 C ASN A 22 13.338 1.514 -1.948 1.00 0.00 C ATOM 344 O ASN A 22 12.617 2.512 -2.008 1.00 0.00 O ATOM 345 CB ASN A 22 14.825 1.047 -3.905 1.00 0.00 C ATOM 346 CG ASN A 22 16.188 1.255 -4.535 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.066 1.891 -3.950 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.372 0.718 -5.737 1.00 0.00 N ATOM 0 H ASN A 22 15.837 -0.184 -1.988 1.00 0.00 H new ATOM 0 HA ASN A 22 15.133 2.576 -2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.575 -0.014 -3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.071 1.566 -4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.269 0.825 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.617 0.199 -6.185 1.00 0.00 H new ATOM 355 N ALA A 23 12.937 0.358 -1.420 1.00 0.00 N ATOM 356 CA ALA A 23 11.595 0.203 -0.874 1.00 0.00 C ATOM 357 C ALA A 23 11.452 0.972 0.439 1.00 0.00 C ATOM 358 O ALA A 23 10.346 1.305 0.861 1.00 0.00 O ATOM 359 CB ALA A 23 11.269 -1.270 -0.670 1.00 0.00 C ATOM 0 H ALA A 23 13.519 -0.477 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 23 10.885 0.617 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.263 -1.367 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.324 -1.791 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.986 -1.709 0.024 1.00 0.00 H new ATOM 365 N ASP A 24 12.586 1.257 1.078 1.00 0.00 N ATOM 366 CA ASP A 24 12.596 1.989 2.339 1.00 0.00 C ATOM 367 C ASP A 24 12.522 3.489 2.084 1.00 0.00 C ATOM 368 O ASP A 24 11.852 4.222 2.813 1.00 0.00 O ATOM 369 CB ASP A 24 13.857 1.658 3.138 1.00 0.00 C ATOM 370 CG ASP A 24 13.594 1.581 4.630 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.782 0.728 5.046 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.199 2.375 5.381 1.00 0.00 O ATOM 0 H ASP A 24 13.511 0.990 0.740 1.00 0.00 H new ATOM 0 HA ASP A 24 11.723 1.687 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.262 0.706 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.616 2.416 2.944 1.00 0.00 H new ATOM 377 N SER A 25 13.196 3.939 1.029 1.00 0.00 N ATOM 378 CA SER A 25 13.187 5.349 0.668 1.00 0.00 C ATOM 379 C SER A 25 11.779 5.763 0.258 1.00 0.00 C ATOM 380 O SER A 25 11.333 6.874 0.541 1.00 0.00 O ATOM 381 CB SER A 25 14.169 5.618 -0.472 1.00 0.00 C ATOM 382 OG SER A 25 14.513 6.993 -0.537 1.00 0.00 O ATOM 0 H SER A 25 13.753 3.348 0.412 1.00 0.00 H new ATOM 0 HA SER A 25 13.497 5.936 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.070 5.021 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.727 5.306 -1.418 1.00 0.00 H new ATOM 0 HG SER A 25 15.143 7.138 -1.273 1.00 0.00 H new ATOM 388 N LEU A 26 11.085 4.843 -0.404 1.00 0.00 N ATOM 389 CA LEU A 26 9.720 5.079 -0.852 1.00 0.00 C ATOM 390 C LEU A 26 8.775 5.151 0.345 1.00 0.00 C ATOM 391 O LEU A 26 7.975 6.076 0.465 1.00 0.00 O ATOM 392 CB LEU A 26 9.294 3.962 -1.808 1.00 0.00 C ATOM 393 CG LEU A 26 7.947 4.164 -2.508 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.929 5.469 -3.292 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.651 2.989 -3.425 1.00 0.00 C ATOM 0 H LEU A 26 11.450 3.921 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 26 9.675 6.032 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.065 3.848 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.256 3.026 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 26 7.171 4.219 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.961 5.587 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.098 6.304 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.715 5.451 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.691 3.144 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.435 2.908 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.614 2.071 -2.839 1.00 0.00 H new ATOM 407 N ALA A 27 8.887 4.181 1.244 1.00 0.00 N ATOM 408 CA ALA A 27 8.049 4.162 2.438 1.00 0.00 C ATOM 409 C ALA A 27 8.244 5.444 3.247 1.00 0.00 C ATOM 410 O ALA A 27 7.355 5.871 3.986 1.00 0.00 O ATOM 411 CB ALA A 27 8.369 2.940 3.289 1.00 0.00 C ATOM 0 H ALA A 27 9.543 3.404 1.171 1.00 0.00 H new ATOM 0 HA ALA A 27 7.005 4.105 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.736 2.939 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.184 2.035 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.416 2.970 3.590 1.00 0.00 H new ATOM 417 N SER A 28 9.417 6.051 3.092 1.00 0.00 N ATOM 418 CA SER A 28 9.744 7.285 3.795 1.00 0.00 C ATOM 419 C SER A 28 9.022 8.479 3.177 1.00 0.00 C ATOM 420 O SER A 28 8.530 9.355 3.890 1.00 0.00 O ATOM 421 CB SER A 28 11.256 7.522 3.774 1.00 0.00 C ATOM 422 OG SER A 28 11.644 8.432 4.788 1.00 0.00 O ATOM 0 H SER A 28 10.159 5.706 2.483 1.00 0.00 H new ATOM 0 HA SER A 28 9.411 7.181 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.778 6.575 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.553 7.910 2.800 1.00 0.00 H new ATOM 0 HG SER A 28 12.614 8.565 4.754 1.00 0.00 H new ATOM 428 N ASN A 29 8.957 8.511 1.848 1.00 0.00 N ATOM 429 CA ASN A 29 8.289 9.604 1.149 1.00 0.00 C ATOM 430 C ASN A 29 6.829 9.695 1.564 1.00 0.00 C ATOM 431 O ASN A 29 6.332 10.771 1.898 1.00 0.00 O ATOM 432 CB ASN A 29 8.418 9.432 -0.372 1.00 0.00 C ATOM 433 CG ASN A 29 7.465 8.409 -0.966 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.885 7.339 -1.396 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.181 8.744 -1.022 1.00 0.00 N ATOM 0 H ASN A 29 9.356 7.798 1.238 1.00 0.00 H new ATOM 0 HA ASN A 29 8.777 10.538 1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.244 10.395 -0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.441 9.139 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.504 8.102 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.872 9.643 -0.653 1.00 0.00 H new ATOM 442 N ALA A 30 6.151 8.557 1.553 1.00 0.00 N ATOM 443 CA ALA A 30 4.750 8.508 1.941 1.00 0.00 C ATOM 444 C ALA A 30 4.590 8.915 3.398 1.00 0.00 C ATOM 445 O ALA A 30 3.638 9.604 3.761 1.00 0.00 O ATOM 446 CB ALA A 30 4.186 7.117 1.710 1.00 0.00 C ATOM 0 H ALA A 30 6.547 7.658 1.280 1.00 0.00 H new ATOM 0 HA ALA A 30 4.192 9.212 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.137 7.096 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.271 6.861 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.745 6.394 2.305 1.00 0.00 H new ATOM 452 N GLU A 31 5.539 8.488 4.228 1.00 0.00 N ATOM 453 CA GLU A 31 5.511 8.814 5.651 1.00 0.00 C ATOM 454 C GLU A 31 5.420 10.325 5.847 1.00 0.00 C ATOM 455 O GLU A 31 4.754 10.806 6.764 1.00 0.00 O ATOM 456 CB GLU A 31 6.758 8.268 6.347 1.00 0.00 C ATOM 457 CG GLU A 31 6.619 8.176 7.858 1.00 0.00 C ATOM 458 CD GLU A 31 7.958 8.222 8.570 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.606 7.161 8.687 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.358 9.320 9.011 1.00 0.00 O ATOM 0 H GLU A 31 6.334 7.917 3.941 1.00 0.00 H new ATOM 0 HA GLU A 31 4.631 8.349 6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.982 7.278 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.608 8.907 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.995 8.996 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.106 7.250 8.116 1.00 0.00 H new ATOM 467 N ALA A 32 6.094 11.062 4.969 1.00 0.00 N ATOM 468 CA ALA A 32 6.095 12.519 5.022 1.00 0.00 C ATOM 469 C ALA A 32 4.670 13.053 5.039 1.00 0.00 C ATOM 470 O ALA A 32 4.307 13.851 5.904 1.00 0.00 O ATOM 471 CB ALA A 32 6.865 13.091 3.840 1.00 0.00 C ATOM 0 H ALA A 32 6.649 10.670 4.208 1.00 0.00 H new ATOM 0 HA ALA A 32 6.590 12.832 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.857 14.180 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.894 12.734 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.396 12.770 2.910 1.00 0.00 H new ATOM 477 N LYS A 33 3.860 12.590 4.094 1.00 0.00 N ATOM 478 CA LYS A 33 2.468 13.010 4.030 1.00 0.00 C ATOM 479 C LYS A 33 1.755 12.573 5.303 1.00 0.00 C ATOM 480 O LYS A 33 0.797 13.205 5.748 1.00 0.00 O ATOM 481 CB LYS A 33 1.775 12.405 2.811 1.00 0.00 C ATOM 482 CG LYS A 33 2.220 13.018 1.496 1.00 0.00 C ATOM 483 CD LYS A 33 1.874 14.497 1.422 1.00 0.00 C ATOM 484 CE LYS A 33 3.099 15.368 1.659 1.00 0.00 C ATOM 485 NZ LYS A 33 2.777 16.818 1.567 1.00 0.00 N ATOM 0 H LYS A 33 4.141 11.930 3.369 1.00 0.00 H new ATOM 0 HA LYS A 33 2.429 14.095 3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.969 11.333 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.697 12.531 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.296 12.889 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.745 12.491 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.448 14.724 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.111 14.731 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.514 15.150 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.868 15.120 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.638 17.376 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.405 17.032 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.062 17.061 2.282 1.00 0.00 H new ATOM 499 N GLY A 34 2.256 11.489 5.890 1.00 0.00 N ATOM 500 CA GLY A 34 1.694 10.973 7.116 1.00 0.00 C ATOM 501 C GLY A 34 0.939 9.680 6.905 1.00 0.00 C ATOM 502 O GLY A 34 -0.039 9.402 7.600 1.00 0.00 O ATOM 0 H GLY A 34 3.049 10.958 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.494 10.810 7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.023 11.716 7.546 1.00 0.00 H new ATOM 506 N PHE A 35 1.398 8.884 5.949 1.00 0.00 N ATOM 507 CA PHE A 35 0.767 7.611 5.654 1.00 0.00 C ATOM 508 C PHE A 35 1.532 6.468 6.301 1.00 0.00 C ATOM 509 O PHE A 35 2.732 6.570 6.551 1.00 0.00 O ATOM 510 CB PHE A 35 0.694 7.405 4.145 1.00 0.00 C ATOM 511 CG PHE A 35 0.178 8.604 3.406 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.742 9.461 3.994 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.622 8.879 2.129 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.208 10.568 3.315 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.160 9.989 1.444 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.755 10.831 2.037 1.00 0.00 C ATOM 0 H PHE A 35 2.206 9.100 5.366 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.243 7.622 6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.687 7.156 3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.050 6.551 3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.097 9.259 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.338 8.221 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.925 11.227 3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.516 10.195 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.118 11.697 1.503 1.00 0.00 H new ATOM 526 N ASP A 36 0.832 5.374 6.557 1.00 0.00 N ATOM 527 CA ASP A 36 1.447 4.204 7.161 1.00 0.00 C ATOM 528 C ASP A 36 2.144 3.378 6.089 1.00 0.00 C ATOM 529 O ASP A 36 1.521 2.536 5.444 1.00 0.00 O ATOM 530 CB ASP A 36 0.396 3.357 7.880 1.00 0.00 C ATOM 531 CG ASP A 36 -0.291 4.116 8.999 1.00 0.00 C ATOM 532 OD1 ASP A 36 -0.607 5.308 8.802 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.514 3.518 10.073 1.00 0.00 O ATOM 0 H ASP A 36 -0.163 5.272 6.356 1.00 0.00 H new ATOM 0 HA ASP A 36 2.183 4.533 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.351 3.021 7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.870 2.464 8.288 1.00 0.00 H new ATOM 538 N SER A 37 3.433 3.636 5.882 1.00 0.00 N ATOM 539 CA SER A 37 4.187 2.926 4.863 1.00 0.00 C ATOM 540 C SER A 37 4.613 1.553 5.359 1.00 0.00 C ATOM 541 O SER A 37 4.696 1.311 6.562 1.00 0.00 O ATOM 542 CB SER A 37 5.416 3.737 4.451 1.00 0.00 C ATOM 543 OG SER A 37 6.317 3.884 5.534 1.00 0.00 O ATOM 0 H SER A 37 3.971 4.328 6.405 1.00 0.00 H new ATOM 0 HA SER A 37 3.541 2.793 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.919 3.243 3.620 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.105 4.720 4.097 1.00 0.00 H new ATOM 0 HG SER A 37 6.949 4.607 5.338 1.00 0.00 H new ATOM 549 N ILE A 38 4.851 0.654 4.417 1.00 0.00 N ATOM 550 CA ILE A 38 5.233 -0.711 4.739 1.00 0.00 C ATOM 551 C ILE A 38 5.962 -1.360 3.566 1.00 0.00 C ATOM 552 O ILE A 38 5.602 -1.148 2.409 1.00 0.00 O ATOM 553 CB ILE A 38 3.979 -1.541 5.097 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.272 -3.044 5.034 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.837 -1.171 4.159 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.548 -3.846 6.091 1.00 0.00 C ATOM 0 H ILE A 38 4.786 0.847 3.418 1.00 0.00 H new ATOM 0 HA ILE A 38 5.906 -0.685 5.596 1.00 0.00 H new ATOM 0 HB ILE A 38 3.688 -1.309 6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.992 -3.419 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.345 -3.201 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.954 -1.757 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.611 -0.110 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.129 -1.381 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.803 -4.901 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.846 -3.498 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.472 -3.719 5.971 1.00 0.00 H new ATOM 568 N VAL A 39 6.983 -2.151 3.870 1.00 0.00 N ATOM 569 CA VAL A 39 7.757 -2.826 2.835 1.00 0.00 C ATOM 570 C VAL A 39 7.698 -4.343 2.999 1.00 0.00 C ATOM 571 O VAL A 39 8.125 -4.878 4.022 1.00 0.00 O ATOM 572 CB VAL A 39 9.229 -2.377 2.854 1.00 0.00 C ATOM 573 CG1 VAL A 39 9.993 -2.993 1.692 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.323 -0.858 2.816 1.00 0.00 C ATOM 0 H VAL A 39 7.294 -2.341 4.823 1.00 0.00 H new ATOM 0 HA VAL A 39 7.311 -2.551 1.879 1.00 0.00 H new ATOM 0 HB VAL A 39 9.683 -2.725 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.031 -2.663 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.955 -4.080 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.541 -2.678 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.371 -0.558 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.851 -0.487 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.814 -0.440 3.685 1.00 0.00 H new ATOM 584 N LEU A 40 7.170 -5.032 1.986 1.00 0.00 N ATOM 585 CA LEU A 40 7.068 -6.487 2.035 1.00 0.00 C ATOM 586 C LEU A 40 7.943 -7.117 0.959 1.00 0.00 C ATOM 587 O LEU A 40 7.831 -6.787 -0.223 1.00 0.00 O ATOM 588 CB LEU A 40 5.607 -6.931 1.862 1.00 0.00 C ATOM 589 CG LEU A 40 5.393 -8.237 1.085 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.250 -9.359 1.659 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.923 -8.627 1.096 1.00 0.00 C ATOM 0 H LEU A 40 6.810 -4.609 1.130 1.00 0.00 H new ATOM 0 HA LEU A 40 7.419 -6.824 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.161 -7.041 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.063 -6.135 1.354 1.00 0.00 H new ATOM 0 HG LEU A 40 5.700 -8.073 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.080 -10.274 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.302 -9.082 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.981 -9.525 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.789 -9.555 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.592 -8.768 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.334 -7.837 0.630 1.00 0.00 H new ATOM 682 N TYR A 46 10.653 -6.097 -3.643 1.00 0.00 N ATOM 683 CA TYR A 46 10.192 -5.442 -2.423 1.00 0.00 C ATOM 684 C TYR A 46 9.057 -4.482 -2.765 1.00 0.00 C ATOM 685 O TYR A 46 9.161 -3.704 -3.710 1.00 0.00 O ATOM 686 CB TYR A 46 11.331 -4.673 -1.747 1.00 0.00 C ATOM 687 CG TYR A 46 12.284 -5.552 -0.974 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.157 -6.403 -1.633 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.307 -5.533 0.415 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.029 -7.214 -0.932 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.177 -6.337 1.125 1.00 0.00 C ATOM 692 CZ TYR A 46 14.035 -7.177 0.446 1.00 0.00 C ATOM 693 OH TYR A 46 14.904 -7.981 1.147 1.00 0.00 O ATOM 0 HA TYR A 46 9.839 -6.206 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.890 -4.127 -2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.905 -3.932 -1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.156 -6.433 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.633 -4.879 0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.702 -7.873 -1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.186 -6.308 2.205 1.00 0.00 H new ATOM 0 HH TYR A 46 14.782 -7.834 2.108 1.00 0.00 H new ATOM 703 N LYS A 47 7.969 -4.551 -2.009 1.00 0.00 N ATOM 704 CA LYS A 47 6.820 -3.690 -2.260 1.00 0.00 C ATOM 705 C LYS A 47 6.698 -2.597 -1.218 1.00 0.00 C ATOM 706 O LYS A 47 7.077 -2.775 -0.065 1.00 0.00 O ATOM 707 CB LYS A 47 5.536 -4.517 -2.292 1.00 0.00 C ATOM 708 CG LYS A 47 5.252 -5.117 -3.654 1.00 0.00 C ATOM 709 CD LYS A 47 6.261 -6.194 -3.999 1.00 0.00 C ATOM 710 CE LYS A 47 5.896 -7.521 -3.368 1.00 0.00 C ATOM 711 NZ LYS A 47 5.069 -8.363 -4.274 1.00 0.00 N ATOM 0 H LYS A 47 7.858 -5.190 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 47 6.973 -3.216 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.608 -5.318 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.697 -3.887 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.247 -5.539 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.278 -4.334 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.317 -6.308 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.251 -5.889 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.806 -8.059 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.351 -7.343 -2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.842 -9.262 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.188 -7.862 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.598 -8.555 -5.148 1.00 0.00 H new ATOM 725 N VAL A 48 6.161 -1.464 -1.644 1.00 0.00 N ATOM 726 CA VAL A 48 5.976 -0.325 -0.764 1.00 0.00 C ATOM 727 C VAL A 48 4.511 0.097 -0.730 1.00 0.00 C ATOM 728 O VAL A 48 4.001 0.702 -1.672 1.00 0.00 O ATOM 729 CB VAL A 48 6.851 0.856 -1.212 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.660 2.050 -0.290 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.314 0.436 -1.261 1.00 0.00 C ATOM 0 H VAL A 48 5.844 -1.310 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 48 6.278 -0.624 0.240 1.00 0.00 H new ATOM 0 HB VAL A 48 6.544 1.156 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.289 2.874 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.615 2.360 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.938 1.773 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.925 1.281 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.633 0.111 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.433 -0.385 -1.968 1.00 0.00 H new ATOM 741 N GLN A 49 3.836 -0.244 0.365 1.00 0.00 N ATOM 742 CA GLN A 49 2.425 0.080 0.531 1.00 0.00 C ATOM 743 C GLN A 49 2.230 1.164 1.590 1.00 0.00 C ATOM 744 O GLN A 49 2.926 1.188 2.603 1.00 0.00 O ATOM 745 CB GLN A 49 1.649 -1.187 0.913 1.00 0.00 C ATOM 746 CG GLN A 49 0.186 -0.946 1.257 1.00 0.00 C ATOM 747 CD GLN A 49 -0.311 -1.873 2.348 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.557 -3.056 2.107 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.463 -1.342 3.555 1.00 0.00 N ATOM 0 H GLN A 49 4.247 -0.746 1.152 1.00 0.00 H new ATOM 0 HA GLN A 49 2.043 0.467 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.704 -1.895 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.139 -1.655 1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.056 0.088 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.422 -1.083 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.247 -0.357 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.796 -1.919 4.328 1.00 0.00 H new ATOM 758 N ILE A 50 1.271 2.053 1.344 1.00 0.00 N ATOM 759 CA ILE A 50 0.973 3.130 2.273 1.00 0.00 C ATOM 760 C ILE A 50 -0.529 3.288 2.486 1.00 0.00 C ATOM 761 O ILE A 50 -1.294 3.485 1.546 1.00 0.00 O ATOM 762 CB ILE A 50 1.590 4.459 1.808 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.246 4.754 0.343 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.097 4.396 2.002 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.175 5.805 0.176 1.00 0.00 C ATOM 0 H ILE A 50 0.688 2.045 0.507 1.00 0.00 H new ATOM 0 HA ILE A 50 1.423 2.860 3.228 1.00 0.00 H new ATOM 0 HB ILE A 50 1.175 5.271 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.148 5.080 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.918 3.832 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.545 5.334 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.322 4.234 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.506 3.574 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.018 5.963 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.740 5.473 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.509 6.739 0.627 1.00 0.00 H new ATOM 777 N GLY A 51 -0.927 3.203 3.748 1.00 0.00 N ATOM 778 CA GLY A 51 -2.323 3.339 4.116 1.00 0.00 C ATOM 779 C GLY A 51 -3.123 2.070 3.886 1.00 0.00 C ATOM 780 O GLY A 51 -3.477 1.747 2.753 1.00 0.00 O ATOM 0 H GLY A 51 -0.298 3.040 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.390 3.619 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.767 4.151 3.541 1.00 0.00 H new ATOM 784 N ALA A 52 -3.420 1.357 4.969 1.00 0.00 N ATOM 785 CA ALA A 52 -4.194 0.124 4.889 1.00 0.00 C ATOM 786 C ALA A 52 -5.405 0.203 5.813 1.00 0.00 C ATOM 787 O ALA A 52 -5.264 0.431 7.014 1.00 0.00 O ATOM 788 CB ALA A 52 -3.325 -1.072 5.251 1.00 0.00 C ATOM 0 H ALA A 52 -3.135 1.614 5.914 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.545 -0.003 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.917 -1.985 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.485 -1.135 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.949 -0.954 6.267 1.00 0.00 H new ATOM 794 N PHE A 53 -6.596 0.032 5.246 1.00 0.00 N ATOM 795 CA PHE A 53 -7.822 0.108 6.032 1.00 0.00 C ATOM 796 C PHE A 53 -8.855 -0.909 5.559 1.00 0.00 C ATOM 797 O PHE A 53 -8.679 -1.564 4.531 1.00 0.00 O ATOM 798 CB PHE A 53 -8.415 1.517 5.955 1.00 0.00 C ATOM 799 CG PHE A 53 -7.384 2.610 5.932 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.562 2.783 4.827 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.233 3.462 7.014 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.612 3.785 4.803 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.283 4.467 6.995 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.473 4.629 5.888 1.00 0.00 C ATOM 0 H PHE A 53 -6.737 -0.158 4.254 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.564 -0.123 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.031 1.593 5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.074 1.671 6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.667 2.126 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.864 3.340 7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.978 3.909 3.937 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.175 5.124 7.845 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.732 5.414 5.871 1.00 0.00 H new ATOM 814 N SER A 54 -9.940 -1.026 6.321 1.00 0.00 N ATOM 815 CA SER A 54 -11.015 -1.951 5.991 1.00 0.00 C ATOM 816 C SER A 54 -11.963 -1.343 4.960 1.00 0.00 C ATOM 817 O SER A 54 -12.740 -2.055 4.324 1.00 0.00 O ATOM 818 CB SER A 54 -11.790 -2.336 7.255 1.00 0.00 C ATOM 819 OG SER A 54 -11.687 -3.726 7.511 1.00 0.00 O ATOM 0 H SER A 54 -10.096 -0.488 7.174 1.00 0.00 H new ATOM 0 HA SER A 54 -10.570 -2.847 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.404 -1.776 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.838 -2.060 7.141 1.00 0.00 H new ATOM 0 HG SER A 54 -12.188 -3.947 8.324 1.00 0.00 H new ATOM 825 N SER A 55 -11.897 -0.022 4.795 1.00 0.00 N ATOM 826 CA SER A 55 -12.750 0.675 3.839 1.00 0.00 C ATOM 827 C SER A 55 -11.924 1.284 2.707 1.00 0.00 C ATOM 828 O SER A 55 -10.925 1.962 2.949 1.00 0.00 O ATOM 829 CB SER A 55 -13.556 1.768 4.543 1.00 0.00 C ATOM 830 OG SER A 55 -14.874 1.842 4.030 1.00 0.00 O ATOM 0 H SER A 55 -11.261 0.585 5.312 1.00 0.00 H new ATOM 0 HA SER A 55 -13.437 -0.054 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.590 1.566 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.059 2.730 4.416 1.00 0.00 H new ATOM 0 HG SER A 55 -15.368 2.547 4.498 1.00 0.00 H new ATOM 836 N LYS A 56 -12.349 1.034 1.473 1.00 0.00 N ATOM 837 CA LYS A 56 -11.652 1.554 0.302 1.00 0.00 C ATOM 838 C LYS A 56 -11.563 3.075 0.339 1.00 0.00 C ATOM 839 O LYS A 56 -10.552 3.653 -0.055 1.00 0.00 O ATOM 840 CB LYS A 56 -12.351 1.115 -0.978 1.00 0.00 C ATOM 841 CG LYS A 56 -11.562 1.458 -2.228 1.00 0.00 C ATOM 842 CD LYS A 56 -11.665 0.357 -3.269 1.00 0.00 C ATOM 843 CE LYS A 56 -13.090 0.204 -3.780 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.274 -1.062 -4.541 1.00 0.00 N ATOM 0 H LYS A 56 -13.174 0.474 1.258 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.641 1.147 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.518 0.038 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.331 1.589 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.932 2.393 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.516 1.617 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.000 0.580 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.329 -0.586 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.782 0.225 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.339 1.051 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.258 -1.128 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.632 -1.072 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.061 -1.872 -3.924 1.00 0.00 H new ATOM 858 N ASP A 57 -12.627 3.720 0.812 1.00 0.00 N ATOM 859 CA ASP A 57 -12.665 5.178 0.897 1.00 0.00 C ATOM 860 C ASP A 57 -11.376 5.718 1.507 1.00 0.00 C ATOM 861 O ASP A 57 -10.928 6.816 1.173 1.00 0.00 O ATOM 862 CB ASP A 57 -13.865 5.632 1.728 1.00 0.00 C ATOM 863 CG ASP A 57 -14.275 7.060 1.422 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.677 7.987 2.010 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.190 7.250 0.593 1.00 0.00 O ATOM 0 H ASP A 57 -13.474 3.257 1.142 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.764 5.574 -0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.707 4.967 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.623 5.546 2.787 1.00 0.00 H new ATOM 870 N ASN A 58 -10.782 4.932 2.396 1.00 0.00 N ATOM 871 CA ASN A 58 -9.539 5.320 3.051 1.00 0.00 C ATOM 872 C ASN A 58 -8.369 5.201 2.082 1.00 0.00 C ATOM 873 O ASN A 58 -7.565 6.122 1.943 1.00 0.00 O ATOM 874 CB ASN A 58 -9.293 4.450 4.284 1.00 0.00 C ATOM 875 CG ASN A 58 -10.166 4.849 5.459 1.00 0.00 C ATOM 876 OD1 ASN A 58 -9.671 5.339 6.476 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.469 4.641 5.325 1.00 0.00 N ATOM 0 H ASN A 58 -11.141 4.021 2.680 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.625 6.359 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.483 3.407 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.245 4.523 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.106 4.889 6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.834 4.233 4.465 1.00 0.00 H new ATOM 884 N ALA A 59 -8.287 4.058 1.407 1.00 0.00 N ATOM 885 CA ALA A 59 -7.224 3.812 0.441 1.00 0.00 C ATOM 886 C ALA A 59 -7.256 4.837 -0.684 1.00 0.00 C ATOM 887 O ALA A 59 -6.220 5.360 -1.082 1.00 0.00 O ATOM 888 CB ALA A 59 -7.352 2.405 -0.121 1.00 0.00 C ATOM 0 H ALA A 59 -8.946 3.287 1.512 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.266 3.907 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.554 2.227 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.275 1.681 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.318 2.297 -0.614 1.00 0.00 H new ATOM 894 N ASP A 60 -8.449 5.116 -1.201 1.00 0.00 N ATOM 895 CA ASP A 60 -8.603 6.078 -2.287 1.00 0.00 C ATOM 896 C ASP A 60 -8.082 7.454 -1.881 1.00 0.00 C ATOM 897 O ASP A 60 -7.272 8.053 -2.590 1.00 0.00 O ATOM 898 CB ASP A 60 -10.073 6.180 -2.700 1.00 0.00 C ATOM 899 CG ASP A 60 -10.594 4.894 -3.309 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.818 4.210 -4.008 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.779 4.569 -3.085 1.00 0.00 O ATOM 0 H ASP A 60 -9.321 4.691 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.015 5.725 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.675 6.436 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.190 6.992 -3.418 1.00 0.00 H new ATOM 906 N THR A 61 -8.552 7.951 -0.742 1.00 0.00 N ATOM 907 CA THR A 61 -8.134 9.260 -0.250 1.00 0.00 C ATOM 908 C THR A 61 -6.624 9.304 -0.033 1.00 0.00 C ATOM 909 O THR A 61 -5.987 10.333 -0.250 1.00 0.00 O ATOM 910 CB THR A 61 -8.865 9.597 1.052 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.620 10.939 1.432 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.476 8.713 2.216 1.00 0.00 C ATOM 0 H THR A 61 -9.222 7.469 -0.143 1.00 0.00 H new ATOM 0 HA THR A 61 -8.393 10.004 -1.003 1.00 0.00 H new ATOM 0 HB THR A 61 -9.920 9.431 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.097 11.135 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.035 9.012 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.704 7.674 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.408 8.815 2.409 1.00 0.00 H new ATOM 920 N LEU A 62 -6.061 8.176 0.377 1.00 0.00 N ATOM 921 CA LEU A 62 -4.624 8.068 0.611 1.00 0.00 C ATOM 922 C LEU A 62 -3.886 8.122 -0.698 1.00 0.00 C ATOM 923 O LEU A 62 -2.930 8.881 -0.872 1.00 0.00 O ATOM 924 CB LEU A 62 -4.293 6.725 1.246 1.00 0.00 C ATOM 925 CG LEU A 62 -3.085 6.726 2.179 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.904 7.410 1.509 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.427 7.411 3.493 1.00 0.00 C ATOM 0 H LEU A 62 -6.580 7.316 0.556 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.330 8.890 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.163 6.382 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.118 5.999 0.452 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.810 5.694 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.049 7.404 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.647 6.878 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.169 8.439 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.554 7.402 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.725 8.441 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.247 6.881 3.977 1.00 0.00 H new ATOM 939 N ALA A 63 -4.324 7.267 -1.605 1.00 0.00 N ATOM 940 CA ALA A 63 -3.701 7.159 -2.894 1.00 0.00 C ATOM 941 C ALA A 63 -3.635 8.518 -3.581 1.00 0.00 C ATOM 942 O ALA A 63 -2.554 9.002 -3.919 1.00 0.00 O ATOM 943 CB ALA A 63 -4.438 6.148 -3.761 1.00 0.00 C ATOM 0 H ALA A 63 -5.114 6.638 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.680 6.806 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.951 6.080 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.420 5.172 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.472 6.468 -3.894 1.00 0.00 H new ATOM 949 N ALA A 64 -4.801 9.133 -3.769 1.00 0.00 N ATOM 950 CA ALA A 64 -4.881 10.445 -4.402 1.00 0.00 C ATOM 951 C ALA A 64 -3.965 11.431 -3.691 1.00 0.00 C ATOM 952 O ALA A 64 -3.346 12.288 -4.322 1.00 0.00 O ATOM 953 CB ALA A 64 -6.316 10.951 -4.395 1.00 0.00 C ATOM 0 H ALA A 64 -5.702 8.743 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.553 10.352 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.359 11.931 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.950 10.254 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.668 11.031 -3.367 1.00 0.00 H new ATOM 959 N ARG A 65 -3.867 11.289 -2.373 1.00 0.00 N ATOM 960 CA ARG A 65 -3.012 12.147 -1.574 1.00 0.00 C ATOM 961 C ARG A 65 -1.556 11.919 -1.956 1.00 0.00 C ATOM 962 O ARG A 65 -0.771 12.863 -2.053 1.00 0.00 O ATOM 963 CB ARG A 65 -3.219 11.858 -0.087 1.00 0.00 C ATOM 964 CG ARG A 65 -3.050 13.074 0.805 1.00 0.00 C ATOM 965 CD ARG A 65 -3.613 12.821 2.193 1.00 0.00 C ATOM 966 NE ARG A 65 -4.531 13.879 2.614 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.457 13.728 3.558 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.589 12.568 4.191 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.255 14.739 3.870 1.00 0.00 N ATOM 0 H ARG A 65 -4.373 10.583 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.271 13.188 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.219 11.449 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.512 11.089 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.993 13.329 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.554 13.930 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.134 11.864 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.794 12.746 2.908 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.457 14.788 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.979 11.786 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.301 12.459 4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.159 15.632 3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.965 14.624 4.593 1.00 0.00 H new ATOM 983 N ALA A 66 -1.212 10.657 -2.196 1.00 0.00 N ATOM 984 CA ALA A 66 0.138 10.303 -2.594 1.00 0.00 C ATOM 985 C ALA A 66 0.444 10.910 -3.951 1.00 0.00 C ATOM 986 O ALA A 66 1.531 11.434 -4.177 1.00 0.00 O ATOM 987 CB ALA A 66 0.318 8.792 -2.615 1.00 0.00 C ATOM 0 H ALA A 66 -1.852 9.866 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 66 0.841 10.705 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.338 8.551 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.129 8.389 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.383 8.352 -3.324 1.00 0.00 H new ATOM 993 N LYS A 67 -0.539 10.863 -4.844 1.00 0.00 N ATOM 994 CA LYS A 67 -0.382 11.438 -6.171 1.00 0.00 C ATOM 995 C LYS A 67 -0.141 12.934 -6.056 1.00 0.00 C ATOM 996 O LYS A 67 0.782 13.479 -6.663 1.00 0.00 O ATOM 997 CB LYS A 67 -1.618 11.163 -7.028 1.00 0.00 C ATOM 998 CG LYS A 67 -1.785 9.701 -7.409 1.00 0.00 C ATOM 999 CD LYS A 67 -3.207 9.399 -7.852 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.278 8.108 -8.656 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.046 8.344 -10.106 1.00 0.00 N ATOM 0 H LYS A 67 -1.448 10.434 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 67 0.477 10.974 -6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.505 11.492 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.559 11.762 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.092 9.452 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.526 9.071 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.853 9.320 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.585 10.225 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.535 7.405 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.255 7.646 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.103 7.441 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.770 8.995 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.103 8.761 -10.243 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.965 13.587 -5.245 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.833 15.017 -5.012 1.00 0.00 C ATOM 1017 C ASN A 68 0.441 15.297 -4.222 1.00 0.00 C ATOM 1018 O ASN A 68 1.015 16.381 -4.303 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.050 15.543 -4.249 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.265 17.030 -4.454 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.081 17.550 -5.555 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.658 17.722 -3.391 1.00 0.00 N ATOM 0 H ASN A 68 -1.732 13.146 -4.738 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.776 15.528 -5.973 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.939 15.002 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.924 15.341 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.820 18.726 -3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.798 17.249 -2.498 1.00 0.00 H new ATOM 1029 N ALA A 69 0.872 14.294 -3.458 1.00 0.00 N ATOM 1030 CA ALA A 69 2.075 14.400 -2.644 1.00 0.00 C ATOM 1031 C ALA A 69 3.334 14.261 -3.492 1.00 0.00 C ATOM 1032 O ALA A 69 4.415 14.695 -3.091 1.00 0.00 O ATOM 1033 CB ALA A 69 2.055 13.332 -1.562 1.00 0.00 C ATOM 0 H ALA A 69 0.399 13.393 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 69 2.090 15.388 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.956 13.413 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.177 13.470 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.017 12.346 -2.025 1.00 0.00 H new ATOM 1039 N GLY A 70 3.193 13.641 -4.661 1.00 0.00 N ATOM 1040 CA GLY A 70 4.328 13.440 -5.538 1.00 0.00 C ATOM 1041 C GLY A 70 4.710 11.978 -5.624 1.00 0.00 C ATOM 1042 O GLY A 70 5.856 11.640 -5.918 1.00 0.00 O ATOM 0 H GLY A 70 2.309 13.274 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.091 13.814 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.177 14.018 -5.174 1.00 0.00 H new ATOM 1046 N PHE A 71 3.740 11.112 -5.345 1.00 0.00 N ATOM 1047 CA PHE A 71 3.955 9.676 -5.368 1.00 0.00 C ATOM 1048 C PHE A 71 2.854 9.003 -6.179 1.00 0.00 C ATOM 1049 O PHE A 71 1.722 9.481 -6.207 1.00 0.00 O ATOM 1050 CB PHE A 71 3.947 9.132 -3.938 1.00 0.00 C ATOM 1051 CG PHE A 71 4.454 10.113 -2.915 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.673 10.750 -3.089 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.703 10.407 -1.787 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.133 11.661 -2.155 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.158 11.316 -0.852 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.375 11.944 -1.036 1.00 0.00 C ATOM 0 H PHE A 71 2.789 11.388 -5.098 1.00 0.00 H new ATOM 0 HA PHE A 71 4.920 9.465 -5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.930 8.840 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.558 8.230 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.270 10.533 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.751 9.919 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.085 12.151 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.563 11.536 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.733 12.655 -0.306 1.00 0.00 H new ATOM 1066 N ASP A 72 3.173 7.895 -6.829 1.00 0.00 N ATOM 1067 CA ASP A 72 2.185 7.180 -7.627 1.00 0.00 C ATOM 1068 C ASP A 72 1.495 6.100 -6.800 1.00 0.00 C ATOM 1069 O ASP A 72 1.771 4.914 -6.969 1.00 0.00 O ATOM 1070 CB ASP A 72 2.844 6.555 -8.857 1.00 0.00 C ATOM 1071 CG ASP A 72 1.830 6.085 -9.881 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.944 6.883 -10.252 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.921 4.915 -10.312 1.00 0.00 O ATOM 0 H ASP A 72 4.101 7.472 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 72 1.433 7.898 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.511 7.284 -9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.460 5.711 -8.546 1.00 0.00 H new ATOM 1078 N ALA A 73 0.595 6.512 -5.906 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.123 5.563 -5.061 1.00 0.00 C ATOM 1080 C ALA A 73 -1.358 5.002 -5.759 1.00 0.00 C ATOM 1081 O ALA A 73 -2.070 5.717 -6.463 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.525 6.219 -3.753 1.00 0.00 C ATOM 0 H ALA A 73 0.349 7.490 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 73 0.554 4.733 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.060 5.499 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.367 6.558 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.172 7.072 -3.958 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.610 3.719 -5.534 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.761 3.040 -6.113 1.00 0.00 C ATOM 1090 C ILE A 74 -3.466 2.213 -5.045 1.00 0.00 C ATOM 1091 O ILE A 74 -2.836 1.752 -4.097 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.354 2.120 -7.279 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.323 1.087 -6.809 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.801 2.942 -8.434 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.660 -0.330 -7.217 1.00 0.00 C ATOM 0 H ILE A 74 -1.026 3.123 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.433 3.805 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.239 1.588 -7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.346 1.351 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.242 1.134 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.518 2.278 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.563 3.640 -8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.926 3.498 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.888 -1.007 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.622 -0.612 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.713 -0.393 -8.304 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.769 2.018 -5.197 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.529 1.237 -4.228 1.00 0.00 C ATOM 1109 C VAL A 75 -5.859 -0.144 -4.777 1.00 0.00 C ATOM 1110 O VAL A 75 -6.286 -0.285 -5.924 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.831 1.953 -3.812 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.658 1.075 -2.879 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.510 3.285 -3.152 1.00 0.00 C ATOM 0 H VAL A 75 -5.318 2.385 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.899 1.129 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.422 2.142 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.571 1.601 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.916 0.146 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.079 0.850 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.437 3.781 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.898 3.114 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.964 3.916 -3.853 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.658 -1.162 -3.948 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.930 -2.531 -4.342 1.00 0.00 C ATOM 1125 C ILE A 76 -6.671 -3.281 -3.239 1.00 0.00 C ATOM 1126 O ILE A 76 -6.348 -3.149 -2.054 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.626 -3.281 -4.679 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -4.950 -4.693 -5.177 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.698 -3.315 -3.471 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -5.018 -5.742 -4.084 1.00 0.00 C ATOM 0 H ILE A 76 -5.306 -1.060 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.558 -2.492 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.105 -2.750 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.905 -4.670 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.194 -4.991 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.783 -3.849 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.451 -2.296 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.194 -3.825 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.252 -6.711 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.057 -5.798 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.794 -5.472 -3.368 1.00 0.00 H new