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 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=-0.00997 X(o=-0.01,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.0513 (180deg=0.0124) USER MOD Single : A 22 ASN : amide:sc= -0.875 K(o=-0.87,f=-4.2) 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= -17.3! C(o=-17!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -154:sc= -4.09! 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= -7.39! C(o=-7.4!,f=-6.1!) 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= -1.2 K(o=-1.2,f=-6.2!) USER MOD Single : A 61 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.092 -6.470 1.745 1.00 0.00 N ATOM 121 CA LEU A 9 -8.530 -5.324 2.439 1.00 0.00 C ATOM 122 C LEU A 9 -8.180 -4.234 1.443 1.00 0.00 C ATOM 123 O LEU A 9 -7.686 -4.513 0.352 1.00 0.00 O ATOM 124 CB LEU A 9 -7.287 -5.732 3.232 1.00 0.00 C ATOM 125 CG LEU A 9 -7.477 -6.934 4.158 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.132 -7.523 4.550 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.268 -6.534 5.395 1.00 0.00 C ATOM 0 HA LEU A 9 -9.274 -4.942 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.484 -5.957 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.960 -4.881 3.829 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.041 -7.697 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.287 -8.377 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.602 -7.847 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.541 -6.768 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.394 -7.402 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.731 -5.754 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.247 -6.160 5.096 1.00 0.00 H new ATOM 139 N TYR A 10 -8.428 -2.991 1.824 1.00 0.00 N ATOM 140 CA TYR A 10 -8.128 -1.870 0.957 1.00 0.00 C ATOM 141 C TYR A 10 -6.844 -1.198 1.401 1.00 0.00 C ATOM 142 O TYR A 10 -6.806 -0.507 2.419 1.00 0.00 O ATOM 143 CB TYR A 10 -9.289 -0.879 0.950 1.00 0.00 C ATOM 144 CG TYR A 10 -10.623 -1.533 0.673 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.942 -1.988 -0.597 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.560 -1.703 1.681 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.157 -2.593 -0.858 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.779 -2.306 1.430 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.072 -2.749 0.160 1.00 0.00 C ATOM 150 OH TYR A 10 -14.282 -3.351 -0.096 1.00 0.00 O ATOM 0 H TYR A 10 -8.834 -2.737 2.724 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.990 -2.236 -0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.332 -0.372 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.102 -0.114 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.227 -1.867 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.334 -1.359 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.388 -2.941 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.498 -2.429 2.227 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.811 -3.385 0.728 1.00 0.00 H new ATOM 160 N LYS A 11 -5.789 -1.408 0.626 1.00 0.00 N ATOM 161 CA LYS A 11 -4.489 -0.821 0.932 1.00 0.00 C ATOM 162 C LYS A 11 -3.977 -0.014 -0.253 1.00 0.00 C ATOM 163 O LYS A 11 -4.364 -0.269 -1.396 1.00 0.00 O ATOM 164 CB LYS A 11 -3.483 -1.916 1.289 1.00 0.00 C ATOM 165 CG LYS A 11 -4.071 -3.036 2.132 1.00 0.00 C ATOM 166 CD LYS A 11 -3.123 -4.219 2.228 1.00 0.00 C ATOM 167 CE LYS A 11 -3.133 -4.830 3.620 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.468 -6.163 3.648 1.00 0.00 N ATOM 0 H LYS A 11 -5.806 -1.980 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.606 -0.155 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.079 -2.339 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.648 -1.468 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.291 -2.663 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.017 -3.361 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.407 -4.975 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.112 -3.898 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.629 -4.158 4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.162 -4.931 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.496 -6.545 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.964 -6.812 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.478 -6.064 3.344 1.00 0.00 H new ATOM 182 N VAL A 12 -3.103 0.956 0.007 1.00 0.00 N ATOM 183 CA VAL A 12 -2.557 1.771 -1.072 1.00 0.00 C ATOM 184 C VAL A 12 -1.089 1.424 -1.312 1.00 0.00 C ATOM 185 O VAL A 12 -0.353 1.149 -0.372 1.00 0.00 O ATOM 186 CB VAL A 12 -2.693 3.294 -0.802 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.120 4.021 -2.061 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.688 3.599 0.308 1.00 0.00 C ATOM 0 H VAL A 12 -2.763 1.193 0.939 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.144 1.542 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.711 3.642 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.210 5.087 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.375 3.865 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.082 3.634 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.747 4.677 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.671 3.217 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.361 3.121 1.231 1.00 0.00 H new ATOM 198 N GLN A 13 -0.674 1.408 -2.577 1.00 0.00 N ATOM 199 CA GLN A 13 0.705 1.071 -2.925 1.00 0.00 C ATOM 200 C GLN A 13 1.273 2.048 -3.949 1.00 0.00 C ATOM 201 O GLN A 13 0.611 2.387 -4.929 1.00 0.00 O ATOM 202 CB GLN A 13 0.779 -0.356 -3.471 1.00 0.00 C ATOM 203 CG GLN A 13 2.191 -0.809 -3.803 1.00 0.00 C ATOM 204 CD GLN A 13 2.252 -2.263 -4.227 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.647 -2.580 -5.348 1.00 0.00 O ATOM 206 NE2 GLN A 13 1.859 -3.158 -3.328 1.00 0.00 N ATOM 0 H GLN A 13 -1.271 1.624 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 13 1.305 1.142 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.350 -1.039 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.164 -0.425 -4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.591 -0.184 -4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.830 -0.661 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.538 -2.851 -2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.878 -4.152 -3.556 1.00 0.00 H new ATOM 215 N ILE A 14 2.500 2.510 -3.709 1.00 0.00 N ATOM 216 CA ILE A 14 3.136 3.462 -4.612 1.00 0.00 C ATOM 217 C ILE A 14 4.266 2.839 -5.437 1.00 0.00 C ATOM 218 O ILE A 14 4.815 3.501 -6.318 1.00 0.00 O ATOM 219 CB ILE A 14 3.686 4.689 -3.862 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.739 4.258 -2.830 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.551 5.470 -3.216 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.286 4.346 -1.388 1.00 0.00 C ATOM 0 H ILE A 14 3.067 2.242 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 14 2.346 3.777 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 14 4.176 5.351 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.035 3.231 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.626 4.878 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.957 6.334 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.857 5.807 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.025 4.829 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.094 4.022 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.019 5.376 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.419 3.703 -1.239 1.00 0.00 H new ATOM 234 N GLY A 15 4.610 1.575 -5.180 1.00 0.00 N ATOM 235 CA GLY A 15 5.667 0.956 -5.966 1.00 0.00 C ATOM 236 C GLY A 15 6.290 -0.277 -5.337 1.00 0.00 C ATOM 237 O GLY A 15 6.035 -0.601 -4.177 1.00 0.00 O ATOM 0 H GLY A 15 4.189 0.984 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.263 0.684 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.451 1.693 -6.139 1.00 0.00 H new ATOM 241 N ALA A 16 7.139 -0.942 -6.121 1.00 0.00 N ATOM 242 CA ALA A 16 7.862 -2.132 -5.684 1.00 0.00 C ATOM 243 C ALA A 16 9.186 -2.226 -6.443 1.00 0.00 C ATOM 244 O ALA A 16 9.256 -1.842 -7.610 1.00 0.00 O ATOM 245 CB ALA A 16 7.029 -3.389 -5.898 1.00 0.00 C ATOM 0 H ALA A 16 7.344 -0.667 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 16 8.063 -2.051 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.592 -4.260 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.104 -3.314 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.794 -3.494 -6.957 1.00 0.00 H new ATOM 251 N PHE A 17 10.235 -2.725 -5.795 1.00 0.00 N ATOM 252 CA PHE A 17 11.535 -2.835 -6.452 1.00 0.00 C ATOM 253 C PHE A 17 12.352 -3.984 -5.875 1.00 0.00 C ATOM 254 O PHE A 17 12.205 -4.342 -4.709 1.00 0.00 O ATOM 255 CB PHE A 17 12.321 -1.530 -6.310 1.00 0.00 C ATOM 256 CG PHE A 17 11.472 -0.296 -6.424 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.774 0.183 -5.328 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.375 0.386 -7.627 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.995 1.317 -5.430 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.595 1.521 -7.734 1.00 0.00 C ATOM 261 CZ PHE A 17 9.905 1.988 -6.634 1.00 0.00 C ATOM 0 H PHE A 17 10.213 -3.055 -4.830 1.00 0.00 H new ATOM 0 HA PHE A 17 11.352 -3.034 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.826 -1.524 -5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.096 -1.498 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.840 -0.337 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.915 0.026 -8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.455 1.680 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.525 2.042 -8.677 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.296 2.876 -6.714 1.00 0.00 H new ATOM 271 N LYS A 18 13.223 -4.549 -6.704 1.00 0.00 N ATOM 272 CA LYS A 18 14.075 -5.656 -6.284 1.00 0.00 C ATOM 273 C LYS A 18 14.981 -5.253 -5.121 1.00 0.00 C ATOM 274 O LYS A 18 15.564 -6.110 -4.458 1.00 0.00 O ATOM 275 CB LYS A 18 14.923 -6.140 -7.462 1.00 0.00 C ATOM 276 CG LYS A 18 15.453 -7.554 -7.288 1.00 0.00 C ATOM 277 CD LYS A 18 16.851 -7.699 -7.870 1.00 0.00 C ATOM 278 CE LYS A 18 17.013 -9.015 -8.613 1.00 0.00 C ATOM 279 NZ LYS A 18 17.892 -8.876 -9.806 1.00 0.00 N ATOM 0 H LYS A 18 13.358 -4.258 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 18 13.430 -6.466 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.325 -6.094 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.764 -5.460 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.470 -7.810 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.780 -8.259 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.051 -6.870 -8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.588 -7.640 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.431 -9.763 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.034 -9.379 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.976 -9.796 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.480 -8.181 -10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.835 -8.554 -9.507 1.00 0.00 H new ATOM 293 N VAL A 19 15.107 -3.949 -4.882 1.00 0.00 N ATOM 294 CA VAL A 19 15.954 -3.454 -3.806 1.00 0.00 C ATOM 295 C VAL A 19 15.134 -2.940 -2.626 1.00 0.00 C ATOM 296 O VAL A 19 14.230 -2.121 -2.791 1.00 0.00 O ATOM 297 CB VAL A 19 16.878 -2.319 -4.297 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.871 -1.929 -3.213 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.600 -2.730 -5.572 1.00 0.00 C ATOM 0 H VAL A 19 14.634 -3.221 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 19 16.556 -4.301 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 19 16.263 -1.448 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.513 -1.128 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.330 -1.587 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.482 -2.793 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.246 -1.917 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.203 -3.617 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.868 -2.951 -6.349 1.00 0.00 H new ATOM 309 N LYS A 20 15.463 -3.429 -1.435 1.00 0.00 N ATOM 310 CA LYS A 20 14.779 -3.032 -0.216 1.00 0.00 C ATOM 311 C LYS A 20 15.122 -1.595 0.143 1.00 0.00 C ATOM 312 O LYS A 20 14.255 -0.829 0.552 1.00 0.00 O ATOM 313 CB LYS A 20 15.161 -3.961 0.937 1.00 0.00 C ATOM 314 CG LYS A 20 14.380 -3.696 2.216 1.00 0.00 C ATOM 315 CD LYS A 20 15.303 -3.528 3.414 1.00 0.00 C ATOM 316 CE LYS A 20 15.393 -2.074 3.850 1.00 0.00 C ATOM 317 NZ LYS A 20 16.490 -1.855 4.832 1.00 0.00 N ATOM 0 H LYS A 20 16.209 -4.109 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 20 13.705 -3.105 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.999 -4.994 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.226 -3.853 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.775 -2.797 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.692 -4.521 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.939 -4.135 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.298 -3.895 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.556 -1.443 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.444 -1.768 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.327 -0.963 5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.510 -2.642 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.400 -1.807 4.331 1.00 0.00 H new ATOM 331 N ALA A 21 16.391 -1.223 -0.030 1.00 0.00 N ATOM 332 CA ALA A 21 16.825 0.136 0.262 1.00 0.00 C ATOM 333 C ALA A 21 15.975 1.126 -0.520 1.00 0.00 C ATOM 334 O ALA A 21 15.675 2.224 -0.048 1.00 0.00 O ATOM 335 CB ALA A 21 18.297 0.311 -0.076 1.00 0.00 C ATOM 0 H ALA A 21 17.128 -1.841 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 21 16.698 0.326 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.603 1.333 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.892 -0.385 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.453 0.110 -1.136 1.00 0.00 H new ATOM 341 N ASN A 22 15.561 0.706 -1.711 1.00 0.00 N ATOM 342 CA ASN A 22 14.715 1.528 -2.554 1.00 0.00 C ATOM 343 C ASN A 22 13.294 1.504 -2.014 1.00 0.00 C ATOM 344 O ASN A 22 12.572 2.498 -2.087 1.00 0.00 O ATOM 345 CB ASN A 22 14.742 1.023 -3.999 1.00 0.00 C ATOM 346 CG ASN A 22 16.095 1.215 -4.653 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.121 0.801 -4.116 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.103 1.850 -5.821 1.00 0.00 N ATOM 0 H ASN A 22 15.801 -0.201 -2.111 1.00 0.00 H new ATOM 0 HA ASN A 22 15.089 2.552 -2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.480 -0.035 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.983 1.549 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.985 2.011 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.227 2.176 -6.230 1.00 0.00 H new ATOM 355 N ALA A 23 12.907 0.359 -1.452 1.00 0.00 N ATOM 356 CA ALA A 23 11.574 0.217 -0.877 1.00 0.00 C ATOM 357 C ALA A 23 11.457 1.011 0.421 1.00 0.00 C ATOM 358 O ALA A 23 10.361 1.375 0.843 1.00 0.00 O ATOM 359 CB ALA A 23 11.253 -1.251 -0.638 1.00 0.00 C ATOM 0 H ALA A 23 13.492 -0.474 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 23 10.850 0.618 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.255 -1.340 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.290 -1.790 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.983 -1.676 0.051 1.00 0.00 H new ATOM 365 N ASP A 24 12.601 1.280 1.051 1.00 0.00 N ATOM 366 CA ASP A 24 12.632 2.036 2.298 1.00 0.00 C ATOM 367 C ASP A 24 12.534 3.531 2.021 1.00 0.00 C ATOM 368 O ASP A 24 11.884 4.269 2.762 1.00 0.00 O ATOM 369 CB ASP A 24 13.913 1.724 3.075 1.00 0.00 C ATOM 370 CG ASP A 24 13.632 1.077 4.418 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.524 1.280 4.954 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.523 0.366 4.932 1.00 0.00 O ATOM 0 H ASP A 24 13.518 0.984 0.716 1.00 0.00 H new ATOM 0 HA ASP A 24 11.774 1.740 2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.543 1.062 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.475 2.645 3.229 1.00 0.00 H new ATOM 377 N SER A 25 13.171 3.970 0.940 1.00 0.00 N ATOM 378 CA SER A 25 13.140 5.377 0.559 1.00 0.00 C ATOM 379 C SER A 25 11.720 5.776 0.177 1.00 0.00 C ATOM 380 O SER A 25 11.258 6.871 0.495 1.00 0.00 O ATOM 381 CB SER A 25 14.092 5.638 -0.609 1.00 0.00 C ATOM 382 OG SER A 25 14.731 6.897 -0.475 1.00 0.00 O ATOM 0 H SER A 25 13.713 3.374 0.315 1.00 0.00 H new ATOM 0 HA SER A 25 13.465 5.978 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.842 4.849 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.539 5.606 -1.548 1.00 0.00 H new ATOM 0 HG SER A 25 15.336 7.039 -1.233 1.00 0.00 H new ATOM 388 N LEU A 26 11.032 4.863 -0.501 1.00 0.00 N ATOM 389 CA LEU A 26 9.659 5.087 -0.929 1.00 0.00 C ATOM 390 C LEU A 26 8.733 5.166 0.285 1.00 0.00 C ATOM 391 O LEU A 26 7.914 6.074 0.400 1.00 0.00 O ATOM 392 CB LEU A 26 9.223 3.957 -1.864 1.00 0.00 C ATOM 393 CG LEU A 26 7.926 4.192 -2.645 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.948 5.540 -3.354 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.707 3.069 -3.649 1.00 0.00 C ATOM 0 H LEU A 26 11.409 3.953 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 26 9.600 6.034 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.026 3.774 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.108 3.048 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 26 7.099 4.199 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.015 5.679 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.060 6.336 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.785 5.570 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.782 3.247 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.543 3.037 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.638 2.118 -3.122 1.00 0.00 H new ATOM 407 N ALA A 27 8.879 4.216 1.201 1.00 0.00 N ATOM 408 CA ALA A 27 8.064 4.201 2.409 1.00 0.00 C ATOM 409 C ALA A 27 8.283 5.476 3.220 1.00 0.00 C ATOM 410 O ALA A 27 7.411 5.903 3.978 1.00 0.00 O ATOM 411 CB ALA A 27 8.384 2.971 3.246 1.00 0.00 C ATOM 0 H ALA A 27 9.550 3.451 1.131 1.00 0.00 H new ATOM 0 HA ALA A 27 7.014 4.158 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.768 2.973 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.177 2.072 2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.437 2.986 3.527 1.00 0.00 H new ATOM 417 N SER A 28 9.455 6.081 3.045 1.00 0.00 N ATOM 418 CA SER A 28 9.801 7.308 3.753 1.00 0.00 C ATOM 419 C SER A 28 9.073 8.509 3.155 1.00 0.00 C ATOM 420 O SER A 28 8.599 9.382 3.883 1.00 0.00 O ATOM 421 CB SER A 28 11.313 7.536 3.708 1.00 0.00 C ATOM 422 OG SER A 28 11.829 7.790 5.004 1.00 0.00 O ATOM 0 H SER A 28 10.182 5.739 2.417 1.00 0.00 H new ATOM 0 HA SER A 28 9.487 7.200 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.804 6.660 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.538 8.377 3.052 1.00 0.00 H new ATOM 0 HG SER A 28 12.797 7.931 4.949 1.00 0.00 H new ATOM 428 N ASN A 29 8.983 8.550 1.828 1.00 0.00 N ATOM 429 CA ASN A 29 8.311 9.651 1.149 1.00 0.00 C ATOM 430 C ASN A 29 6.854 9.735 1.577 1.00 0.00 C ATOM 431 O ASN A 29 6.361 10.807 1.930 1.00 0.00 O ATOM 432 CB ASN A 29 8.428 9.498 -0.376 1.00 0.00 C ATOM 433 CG ASN A 29 7.469 8.485 -0.976 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.883 7.419 -1.420 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.187 8.825 -1.020 1.00 0.00 N ATOM 0 H ASN A 29 9.365 7.838 1.206 1.00 0.00 H new ATOM 0 HA ASN A 29 8.801 10.582 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.252 10.468 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.449 9.206 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.505 8.190 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.884 9.721 -0.639 1.00 0.00 H new ATOM 442 N ALA A 30 6.174 8.599 1.554 1.00 0.00 N ATOM 443 CA ALA A 30 4.777 8.544 1.952 1.00 0.00 C ATOM 444 C ALA A 30 4.630 8.938 3.414 1.00 0.00 C ATOM 445 O ALA A 30 3.681 9.627 3.791 1.00 0.00 O ATOM 446 CB ALA A 30 4.211 7.155 1.714 1.00 0.00 C ATOM 0 H ALA A 30 6.567 7.704 1.264 1.00 0.00 H new ATOM 0 HA ALA A 30 4.214 9.252 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.164 7.132 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.287 6.907 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.774 6.427 2.298 1.00 0.00 H new ATOM 452 N GLU A 31 5.581 8.500 4.235 1.00 0.00 N ATOM 453 CA GLU A 31 5.562 8.812 5.660 1.00 0.00 C ATOM 454 C GLU A 31 5.483 10.322 5.870 1.00 0.00 C ATOM 455 O GLU A 31 4.819 10.800 6.789 1.00 0.00 O ATOM 456 CB GLU A 31 6.808 8.250 6.344 1.00 0.00 C ATOM 457 CG GLU A 31 6.870 8.544 7.834 1.00 0.00 C ATOM 458 CD GLU A 31 7.962 7.765 8.537 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.094 6.551 8.270 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.688 8.365 9.357 1.00 0.00 O ATOM 0 H GLU A 31 6.373 7.929 3.938 1.00 0.00 H new ATOM 0 HA GLU A 31 4.681 8.349 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.839 7.171 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.694 8.664 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.036 9.611 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.908 8.305 8.288 1.00 0.00 H new ATOM 467 N ALA A 32 6.161 11.061 4.998 1.00 0.00 N ATOM 468 CA ALA A 32 6.172 12.517 5.062 1.00 0.00 C ATOM 469 C ALA A 32 4.750 13.055 5.040 1.00 0.00 C ATOM 470 O ALA A 32 4.373 13.877 5.876 1.00 0.00 O ATOM 471 CB ALA A 32 6.979 13.092 3.906 1.00 0.00 C ATOM 0 H ALA A 32 6.713 10.672 4.234 1.00 0.00 H new ATOM 0 HA ALA A 32 6.643 12.823 5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.978 14.180 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.004 12.726 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.533 12.782 2.961 1.00 0.00 H new ATOM 477 N LYS A 33 3.953 12.564 4.096 1.00 0.00 N ATOM 478 CA LYS A 33 2.563 12.979 3.997 1.00 0.00 C ATOM 479 C LYS A 33 1.835 12.575 5.269 1.00 0.00 C ATOM 480 O LYS A 33 0.870 13.218 5.685 1.00 0.00 O ATOM 481 CB LYS A 33 1.890 12.332 2.789 1.00 0.00 C ATOM 482 CG LYS A 33 2.080 13.104 1.497 1.00 0.00 C ATOM 483 CD LYS A 33 1.394 14.460 1.552 1.00 0.00 C ATOM 484 CE LYS A 33 2.380 15.571 1.877 1.00 0.00 C ATOM 485 NZ LYS A 33 2.087 16.815 1.109 1.00 0.00 N ATOM 0 H LYS A 33 4.245 11.883 3.395 1.00 0.00 H new ATOM 0 HA LYS A 33 2.523 14.061 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.285 11.324 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.823 12.233 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.145 13.241 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.679 12.526 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.915 14.666 0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.606 14.440 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.345 15.787 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.392 15.235 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.781 17.548 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.145 16.616 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.130 17.150 1.342 1.00 0.00 H new ATOM 499 N GLY A 34 2.326 11.509 5.891 1.00 0.00 N ATOM 500 CA GLY A 34 1.748 11.022 7.119 1.00 0.00 C ATOM 501 C GLY A 34 1.002 9.720 6.931 1.00 0.00 C ATOM 502 O GLY A 34 0.029 9.445 7.632 1.00 0.00 O ATOM 0 H GLY A 34 3.125 10.970 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.537 10.882 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.067 11.773 7.519 1.00 0.00 H new ATOM 506 N PHE A 35 1.466 8.913 5.984 1.00 0.00 N ATOM 507 CA PHE A 35 0.845 7.631 5.709 1.00 0.00 C ATOM 508 C PHE A 35 1.633 6.501 6.357 1.00 0.00 C ATOM 509 O PHE A 35 2.827 6.638 6.625 1.00 0.00 O ATOM 510 CB PHE A 35 0.749 7.409 4.204 1.00 0.00 C ATOM 511 CG PHE A 35 0.182 8.587 3.465 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.768 9.407 4.055 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.607 8.876 2.183 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.284 10.493 3.377 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.095 9.961 1.497 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.851 10.770 2.094 1.00 0.00 C ATOM 0 H PHE A 35 2.271 9.128 5.395 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.159 7.636 6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.742 7.187 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.127 6.535 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.108 9.193 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.348 8.247 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.024 11.124 3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.435 10.176 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.252 11.618 1.559 1.00 0.00 H new ATOM 526 N ASP A 36 0.962 5.385 6.593 1.00 0.00 N ATOM 527 CA ASP A 36 1.604 4.228 7.194 1.00 0.00 C ATOM 528 C ASP A 36 2.269 3.384 6.117 1.00 0.00 C ATOM 529 O ASP A 36 1.615 2.565 5.473 1.00 0.00 O ATOM 530 CB ASP A 36 0.582 3.388 7.965 1.00 0.00 C ATOM 531 CG ASP A 36 1.154 2.809 9.243 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.382 3.583 10.195 1.00 0.00 O ATOM 533 OD2 ASP A 36 1.373 1.580 9.290 1.00 0.00 O ATOM 0 H ASP A 36 -0.027 5.256 6.377 1.00 0.00 H new ATOM 0 HA ASP A 36 2.364 4.576 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.284 4.005 8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.229 2.577 7.328 1.00 0.00 H new ATOM 538 N SER A 37 3.564 3.603 5.903 1.00 0.00 N ATOM 539 CA SER A 37 4.289 2.872 4.876 1.00 0.00 C ATOM 540 C SER A 37 4.682 1.487 5.366 1.00 0.00 C ATOM 541 O SER A 37 4.777 1.239 6.568 1.00 0.00 O ATOM 542 CB SER A 37 5.537 3.648 4.451 1.00 0.00 C ATOM 543 OG SER A 37 6.598 3.453 5.369 1.00 0.00 O ATOM 0 H SER A 37 4.126 4.276 6.424 1.00 0.00 H new ATOM 0 HA SER A 37 3.629 2.758 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.848 3.326 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.302 4.710 4.382 1.00 0.00 H new ATOM 0 HG SER A 37 7.200 4.226 5.342 1.00 0.00 H new ATOM 549 N ILE A 38 4.882 0.581 4.419 1.00 0.00 N ATOM 550 CA ILE A 38 5.232 -0.796 4.734 1.00 0.00 C ATOM 551 C ILE A 38 5.973 -1.441 3.566 1.00 0.00 C ATOM 552 O ILE A 38 5.627 -1.227 2.405 1.00 0.00 O ATOM 553 CB ILE A 38 3.956 -1.605 5.055 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.217 -3.112 4.966 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.833 -1.193 4.112 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.480 -3.916 6.014 1.00 0.00 C ATOM 0 H ILE A 38 4.807 0.777 3.421 1.00 0.00 H new ATOM 0 HA ILE A 38 5.886 -0.796 5.606 1.00 0.00 H new ATOM 0 HB ILE A 38 3.656 -1.386 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.925 -3.465 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.287 -3.294 5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.935 -1.767 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.626 -0.130 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.133 -1.387 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.712 -4.974 5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.790 -3.590 7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.407 -3.764 5.901 1.00 0.00 H new ATOM 568 N VAL A 39 6.997 -2.230 3.879 1.00 0.00 N ATOM 569 CA VAL A 39 7.784 -2.897 2.851 1.00 0.00 C ATOM 570 C VAL A 39 7.692 -4.416 2.972 1.00 0.00 C ATOM 571 O VAL A 39 8.131 -4.993 3.967 1.00 0.00 O ATOM 572 CB VAL A 39 9.263 -2.475 2.919 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.050 -3.089 1.770 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.387 -0.957 2.906 1.00 0.00 C ATOM 0 H VAL A 39 7.299 -2.422 4.834 1.00 0.00 H new ATOM 0 HA VAL A 39 7.367 -2.593 1.891 1.00 0.00 H new ATOM 0 HB VAL A 39 9.683 -2.845 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.093 -2.778 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.991 -4.176 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.631 -2.753 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.439 -0.677 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.949 -0.564 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.861 -0.542 3.766 1.00 0.00 H new ATOM 584 N LEU A 40 7.127 -5.063 1.953 1.00 0.00 N ATOM 585 CA LEU A 40 6.989 -6.517 1.954 1.00 0.00 C ATOM 586 C LEU A 40 7.772 -7.128 0.795 1.00 0.00 C ATOM 587 O LEU A 40 7.629 -6.710 -0.353 1.00 0.00 O ATOM 588 CB LEU A 40 5.507 -6.915 1.874 1.00 0.00 C ATOM 589 CG LEU A 40 5.192 -8.182 1.063 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.072 -9.345 1.505 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.718 -8.544 1.200 1.00 0.00 C ATOM 0 H LEU A 40 6.759 -4.604 1.120 1.00 0.00 H new ATOM 0 HA LEU A 40 7.399 -6.903 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.134 -7.055 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.951 -6.083 1.442 1.00 0.00 H new ATOM 0 HG LEU A 40 5.406 -7.978 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.829 -10.229 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.120 -9.086 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.897 -9.553 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.509 -9.443 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.484 -8.726 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.106 -7.722 0.829 1.00 0.00 H new ATOM 682 N TYR A 46 10.623 -6.071 -3.517 1.00 0.00 N ATOM 683 CA TYR A 46 10.093 -5.417 -2.328 1.00 0.00 C ATOM 684 C TYR A 46 8.989 -4.438 -2.714 1.00 0.00 C ATOM 685 O TYR A 46 9.125 -3.684 -3.675 1.00 0.00 O ATOM 686 CB TYR A 46 11.208 -4.689 -1.576 1.00 0.00 C ATOM 687 CG TYR A 46 12.188 -5.622 -0.901 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.052 -6.411 -1.652 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.247 -5.719 0.483 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.947 -7.267 -1.040 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.142 -6.573 1.101 1.00 0.00 C ATOM 692 CZ TYR A 46 13.989 -7.344 0.335 1.00 0.00 C ATOM 693 OH TYR A 46 14.880 -8.196 0.947 1.00 0.00 O ATOM 0 HA TYR A 46 9.673 -6.178 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.749 -4.049 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.763 -4.037 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.023 -6.354 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.583 -5.118 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.611 -7.874 -1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.177 -6.635 2.179 1.00 0.00 H new ATOM 0 HH TYR A 46 14.781 -8.129 1.920 1.00 0.00 H new ATOM 703 N LYS A 47 7.895 -4.463 -1.964 1.00 0.00 N ATOM 704 CA LYS A 47 6.766 -3.582 -2.231 1.00 0.00 C ATOM 705 C LYS A 47 6.655 -2.500 -1.182 1.00 0.00 C ATOM 706 O LYS A 47 7.016 -2.698 -0.027 1.00 0.00 O ATOM 707 CB LYS A 47 5.464 -4.380 -2.275 1.00 0.00 C ATOM 708 CG LYS A 47 5.169 -4.962 -3.639 1.00 0.00 C ATOM 709 CD LYS A 47 6.094 -6.118 -3.948 1.00 0.00 C ATOM 710 CE LYS A 47 5.649 -7.383 -3.244 1.00 0.00 C ATOM 711 NZ LYS A 47 4.546 -8.071 -3.974 1.00 0.00 N ATOM 0 H LYS A 47 7.766 -5.084 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 47 6.938 -3.113 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.516 -5.188 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.639 -3.734 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.133 -5.300 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.281 -4.189 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.120 -6.288 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.109 -5.866 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.497 -8.061 -3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.318 -7.139 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.272 -8.931 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.727 -7.434 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.869 -8.328 -4.929 1.00 0.00 H new ATOM 725 N VAL A 48 6.147 -1.352 -1.600 1.00 0.00 N ATOM 726 CA VAL A 48 5.973 -0.227 -0.708 1.00 0.00 C ATOM 727 C VAL A 48 4.514 0.207 -0.671 1.00 0.00 C ATOM 728 O VAL A 48 4.031 0.893 -1.571 1.00 0.00 O ATOM 729 CB VAL A 48 6.864 0.949 -1.131 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.710 2.114 -0.165 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.315 0.500 -1.212 1.00 0.00 C ATOM 0 H VAL A 48 5.847 -1.178 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 48 6.270 -0.542 0.292 1.00 0.00 H new ATOM 0 HB VAL A 48 6.551 1.289 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.350 2.937 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.671 2.444 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.998 1.796 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.940 1.341 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.639 0.138 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.408 -0.301 -1.945 1.00 0.00 H new ATOM 741 N GLN A 49 3.815 -0.211 0.378 1.00 0.00 N ATOM 742 CA GLN A 49 2.407 0.113 0.546 1.00 0.00 C ATOM 743 C GLN A 49 2.223 1.194 1.608 1.00 0.00 C ATOM 744 O GLN A 49 2.915 1.205 2.625 1.00 0.00 O ATOM 745 CB GLN A 49 1.625 -1.151 0.924 1.00 0.00 C ATOM 746 CG GLN A 49 0.174 -0.904 1.308 1.00 0.00 C ATOM 747 CD GLN A 49 -0.294 -1.823 2.420 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.070 -3.033 2.375 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.947 -1.253 3.425 1.00 0.00 N ATOM 0 H GLN A 49 4.206 -0.779 1.129 1.00 0.00 H new ATOM 0 HA GLN A 49 2.022 0.500 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.652 -1.845 0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.130 -1.640 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.056 0.133 1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.460 -1.045 0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.110 -0.246 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.285 -1.822 4.201 1.00 0.00 H new ATOM 758 N ILE A 50 1.279 2.097 1.364 1.00 0.00 N ATOM 759 CA ILE A 50 0.997 3.175 2.295 1.00 0.00 C ATOM 760 C ILE A 50 -0.505 3.352 2.505 1.00 0.00 C ATOM 761 O ILE A 50 -1.263 3.570 1.562 1.00 0.00 O ATOM 762 CB ILE A 50 1.640 4.495 1.839 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.323 4.792 0.368 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.143 4.410 2.056 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.265 5.852 0.181 1.00 0.00 C ATOM 0 H ILE A 50 0.697 2.100 0.526 1.00 0.00 H new ATOM 0 HA ILE A 50 1.441 2.898 3.251 1.00 0.00 H new ATOM 0 HB ILE A 50 1.228 5.313 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.236 5.109 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.995 3.873 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.610 5.341 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.349 4.245 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.548 3.582 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.092 6.010 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.662 5.529 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.599 6.784 0.637 1.00 0.00 H new ATOM 777 N GLY A 51 -0.909 3.250 3.764 1.00 0.00 N ATOM 778 CA GLY A 51 -2.305 3.395 4.131 1.00 0.00 C ATOM 779 C GLY A 51 -3.102 2.122 3.923 1.00 0.00 C ATOM 780 O GLY A 51 -3.394 1.741 2.791 1.00 0.00 O ATOM 0 H GLY A 51 -0.284 3.067 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.372 3.693 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.750 4.197 3.542 1.00 0.00 H new ATOM 784 N ALA A 52 -3.460 1.464 5.022 1.00 0.00 N ATOM 785 CA ALA A 52 -4.233 0.229 4.962 1.00 0.00 C ATOM 786 C ALA A 52 -5.464 0.323 5.857 1.00 0.00 C ATOM 787 O ALA A 52 -5.348 0.545 7.062 1.00 0.00 O ATOM 788 CB ALA A 52 -3.367 -0.954 5.372 1.00 0.00 C ATOM 0 H ALA A 52 -3.226 1.767 5.967 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.567 0.079 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.956 -1.870 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.516 -1.033 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.009 -0.807 6.391 1.00 0.00 H new ATOM 794 N PHE A 53 -6.645 0.165 5.264 1.00 0.00 N ATOM 795 CA PHE A 53 -7.889 0.246 6.023 1.00 0.00 C ATOM 796 C PHE A 53 -8.903 -0.790 5.544 1.00 0.00 C ATOM 797 O PHE A 53 -8.692 -1.470 4.537 1.00 0.00 O ATOM 798 CB PHE A 53 -8.492 1.651 5.913 1.00 0.00 C ATOM 799 CG PHE A 53 -7.467 2.742 5.774 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.797 2.933 4.576 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.171 3.573 6.844 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.855 3.935 4.446 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.229 4.576 6.720 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.569 4.758 5.520 1.00 0.00 C ATOM 0 H PHE A 53 -6.766 -0.018 4.268 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.653 0.036 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.161 1.683 5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.099 1.846 6.797 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.014 2.291 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.683 3.435 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.342 4.076 3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.009 5.217 7.561 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.832 5.541 5.421 1.00 0.00 H new ATOM 814 N SER A 54 -10.006 -0.898 6.281 1.00 0.00 N ATOM 815 CA SER A 54 -11.063 -1.844 5.946 1.00 0.00 C ATOM 816 C SER A 54 -12.016 -1.262 4.902 1.00 0.00 C ATOM 817 O SER A 54 -12.784 -1.995 4.279 1.00 0.00 O ATOM 818 CB SER A 54 -11.845 -2.231 7.203 1.00 0.00 C ATOM 819 OG SER A 54 -10.997 -2.266 8.339 1.00 0.00 O ATOM 0 H SER A 54 -10.190 -0.340 7.115 1.00 0.00 H new ATOM 0 HA SER A 54 -10.595 -2.733 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.651 -1.516 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.309 -3.207 7.061 1.00 0.00 H new ATOM 0 HG SER A 54 -11.520 -2.514 9.130 1.00 0.00 H new ATOM 825 N SER A 55 -11.965 0.055 4.716 1.00 0.00 N ATOM 826 CA SER A 55 -12.829 0.721 3.745 1.00 0.00 C ATOM 827 C SER A 55 -12.020 1.268 2.569 1.00 0.00 C ATOM 828 O SER A 55 -11.042 1.992 2.758 1.00 0.00 O ATOM 829 CB SER A 55 -13.602 1.858 4.417 1.00 0.00 C ATOM 830 OG SER A 55 -14.717 1.361 5.136 1.00 0.00 O ATOM 0 H SER A 55 -11.337 0.680 5.222 1.00 0.00 H new ATOM 0 HA SER A 55 -13.534 -0.017 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.942 2.401 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.939 2.568 3.662 1.00 0.00 H new ATOM 0 HG SER A 55 -15.193 2.107 5.557 1.00 0.00 H new ATOM 836 N LYS A 56 -12.434 0.913 1.356 1.00 0.00 N ATOM 837 CA LYS A 56 -11.754 1.364 0.147 1.00 0.00 C ATOM 838 C LYS A 56 -11.648 2.884 0.109 1.00 0.00 C ATOM 839 O LYS A 56 -10.649 3.434 -0.353 1.00 0.00 O ATOM 840 CB LYS A 56 -12.487 0.862 -1.096 1.00 0.00 C ATOM 841 CG LYS A 56 -11.615 0.832 -2.341 1.00 0.00 C ATOM 842 CD LYS A 56 -11.848 2.054 -3.214 1.00 0.00 C ATOM 843 CE LYS A 56 -11.413 1.806 -4.649 1.00 0.00 C ATOM 844 NZ LYS A 56 -12.579 1.642 -5.562 1.00 0.00 N ATOM 0 H LYS A 56 -13.240 0.312 1.185 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.746 0.950 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.867 -0.141 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.351 1.500 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.565 0.786 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.827 -0.071 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.905 2.320 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.298 2.903 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.798 2.639 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.791 0.912 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.240 1.475 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.152 0.832 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.159 2.505 -5.542 1.00 0.00 H new ATOM 858 N ASP A 57 -12.683 3.559 0.600 1.00 0.00 N ATOM 859 CA ASP A 57 -12.701 5.019 0.623 1.00 0.00 C ATOM 860 C ASP A 57 -11.447 5.566 1.299 1.00 0.00 C ATOM 861 O ASP A 57 -10.977 6.657 0.974 1.00 0.00 O ATOM 862 CB ASP A 57 -13.950 5.523 1.350 1.00 0.00 C ATOM 863 CG ASP A 57 -14.479 6.815 0.759 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.526 6.925 -0.485 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.850 7.717 1.539 1.00 0.00 O ATOM 0 H ASP A 57 -13.519 3.120 0.987 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.722 5.375 -0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.727 4.760 1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.717 5.677 2.404 1.00 0.00 H new ATOM 870 N ASN A 58 -10.910 4.798 2.243 1.00 0.00 N ATOM 871 CA ASN A 58 -9.709 5.198 2.965 1.00 0.00 C ATOM 872 C ASN A 58 -8.484 5.110 2.061 1.00 0.00 C ATOM 873 O ASN A 58 -7.699 6.054 1.966 1.00 0.00 O ATOM 874 CB ASN A 58 -9.515 4.317 4.201 1.00 0.00 C ATOM 875 CG ASN A 58 -10.748 4.278 5.082 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.864 4.524 4.621 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.555 3.968 6.358 1.00 0.00 N ATOM 0 H ASN A 58 -11.289 3.894 2.525 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.830 6.233 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.265 3.304 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.670 4.689 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.348 3.926 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.614 3.771 6.698 1.00 0.00 H new ATOM 884 N ALA A 59 -8.332 3.971 1.393 1.00 0.00 N ATOM 885 CA ALA A 59 -7.209 3.757 0.488 1.00 0.00 C ATOM 886 C ALA A 59 -7.230 4.765 -0.653 1.00 0.00 C ATOM 887 O ALA A 59 -6.190 5.284 -1.049 1.00 0.00 O ATOM 888 CB ALA A 59 -7.238 2.337 -0.056 1.00 0.00 C ATOM 0 H ALA A 59 -8.974 3.181 1.462 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.285 3.901 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.395 2.189 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.171 1.629 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.169 2.174 -0.598 1.00 0.00 H new ATOM 894 N ASP A 60 -8.418 5.040 -1.182 1.00 0.00 N ATOM 895 CA ASP A 60 -8.563 5.989 -2.279 1.00 0.00 C ATOM 896 C ASP A 60 -8.068 7.374 -1.869 1.00 0.00 C ATOM 897 O ASP A 60 -7.265 7.989 -2.570 1.00 0.00 O ATOM 898 CB ASP A 60 -10.024 6.068 -2.725 1.00 0.00 C ATOM 899 CG ASP A 60 -10.376 5.007 -3.749 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.445 4.396 -4.315 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.583 4.787 -3.985 1.00 0.00 O ATOM 0 H ASP A 60 -9.293 4.619 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.955 5.637 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.672 5.959 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.219 7.054 -3.146 1.00 0.00 H new ATOM 906 N THR A 61 -8.551 7.857 -0.727 1.00 0.00 N ATOM 907 CA THR A 61 -8.156 9.169 -0.224 1.00 0.00 C ATOM 908 C THR A 61 -6.645 9.238 -0.028 1.00 0.00 C ATOM 909 O THR A 61 -6.022 10.270 -0.280 1.00 0.00 O ATOM 910 CB THR A 61 -8.868 9.469 1.095 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.211 9.026 1.051 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.881 10.940 1.447 1.00 0.00 C ATOM 0 H THR A 61 -9.215 7.360 -0.134 1.00 0.00 H new ATOM 0 HA THR A 61 -8.446 9.918 -0.961 1.00 0.00 H new ATOM 0 HB THR A 61 -8.301 8.935 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.268 8.118 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.401 11.083 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.857 11.301 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.394 11.497 0.663 1.00 0.00 H new ATOM 920 N LEU A 62 -6.060 8.127 0.408 1.00 0.00 N ATOM 921 CA LEU A 62 -4.621 8.044 0.627 1.00 0.00 C ATOM 922 C LEU A 62 -3.895 8.089 -0.690 1.00 0.00 C ATOM 923 O LEU A 62 -2.931 8.832 -0.873 1.00 0.00 O ATOM 924 CB LEU A 62 -4.269 6.714 1.278 1.00 0.00 C ATOM 925 CG LEU A 62 -3.048 6.744 2.193 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.881 7.406 1.487 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.373 7.468 3.490 1.00 0.00 C ATOM 0 H LEU A 62 -6.565 7.266 0.618 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.331 8.881 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.128 6.371 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.098 5.977 0.493 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.768 5.719 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.016 7.421 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.637 6.846 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.150 8.427 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.491 7.480 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.675 8.492 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.186 6.952 4.001 1.00 0.00 H new ATOM 939 N ALA A 63 -4.354 7.240 -1.593 1.00 0.00 N ATOM 940 CA ALA A 63 -3.745 7.120 -2.887 1.00 0.00 C ATOM 941 C ALA A 63 -3.653 8.477 -3.580 1.00 0.00 C ATOM 942 O ALA A 63 -2.567 8.942 -3.920 1.00 0.00 O ATOM 943 CB ALA A 63 -4.512 6.127 -3.749 1.00 0.00 C ATOM 0 H ALA A 63 -5.153 6.624 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.731 6.746 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.035 6.049 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.511 5.150 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.539 6.470 -3.873 1.00 0.00 H new ATOM 949 N ALA A 64 -4.811 9.106 -3.780 1.00 0.00 N ATOM 950 CA ALA A 64 -4.876 10.411 -4.424 1.00 0.00 C ATOM 951 C ALA A 64 -3.976 11.411 -3.711 1.00 0.00 C ATOM 952 O ALA A 64 -3.350 12.263 -4.344 1.00 0.00 O ATOM 953 CB ALA A 64 -6.311 10.915 -4.455 1.00 0.00 C ATOM 0 H ALA A 64 -5.717 8.729 -3.503 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.522 10.305 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.343 11.891 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.931 10.213 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.688 11.003 -3.436 1.00 0.00 H new ATOM 959 N ARG A 65 -3.902 11.292 -2.389 1.00 0.00 N ATOM 960 CA ARG A 65 -3.061 12.174 -1.592 1.00 0.00 C ATOM 961 C ARG A 65 -1.599 11.969 -1.959 1.00 0.00 C ATOM 962 O ARG A 65 -0.836 12.925 -2.079 1.00 0.00 O ATOM 963 CB ARG A 65 -3.276 11.896 -0.104 1.00 0.00 C ATOM 964 CG ARG A 65 -3.036 13.105 0.784 1.00 0.00 C ATOM 965 CD ARG A 65 -3.448 12.823 2.219 1.00 0.00 C ATOM 966 NE ARG A 65 -4.242 13.912 2.783 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.477 14.213 2.387 1.00 0.00 C ATOM 968 NH1 ARG A 65 -6.063 13.508 1.429 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.127 15.220 2.951 1.00 0.00 N ATOM 0 H ARG A 65 -4.414 10.594 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.334 13.209 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.296 11.542 0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.610 11.091 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.981 13.379 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.598 13.957 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.023 11.898 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.558 12.670 2.829 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.825 14.475 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.567 12.731 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.009 13.743 1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.681 15.765 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.073 15.450 2.647 1.00 0.00 H new ATOM 983 N ALA A 66 -1.224 10.708 -2.156 1.00 0.00 N ATOM 984 CA ALA A 66 0.138 10.374 -2.532 1.00 0.00 C ATOM 985 C ALA A 66 0.448 10.969 -3.893 1.00 0.00 C ATOM 986 O ALA A 66 1.540 11.486 -4.122 1.00 0.00 O ATOM 987 CB ALA A 66 0.346 8.869 -2.529 1.00 0.00 C ATOM 0 H ALA A 66 -1.846 9.905 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 66 0.825 10.798 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.374 8.643 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.152 8.477 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.338 8.406 -3.240 1.00 0.00 H new ATOM 993 N LYS A 67 -0.533 10.920 -4.787 1.00 0.00 N ATOM 994 CA LYS A 67 -0.371 11.481 -6.118 1.00 0.00 C ATOM 995 C LYS A 67 -0.138 12.980 -6.014 1.00 0.00 C ATOM 996 O LYS A 67 0.778 13.526 -6.629 1.00 0.00 O ATOM 997 CB LYS A 67 -1.603 11.195 -6.978 1.00 0.00 C ATOM 998 CG LYS A 67 -1.546 9.854 -7.693 1.00 0.00 C ATOM 999 CD LYS A 67 -2.907 9.176 -7.719 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.839 7.813 -8.391 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.953 7.919 -9.872 1.00 0.00 N ATOM 0 H LYS A 67 -1.445 10.498 -4.613 1.00 0.00 H new ATOM 0 HA LYS A 67 0.491 11.015 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.491 11.224 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.712 11.988 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.192 10.000 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.825 9.206 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.277 9.062 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.620 9.809 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.898 7.327 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.640 7.180 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.902 6.969 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.862 8.359 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.174 8.502 -10.239 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.961 13.635 -5.203 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.839 15.067 -4.980 1.00 0.00 C ATOM 1017 C ASN A 68 0.434 15.359 -4.189 1.00 0.00 C ATOM 1018 O ASN A 68 1.004 16.446 -4.281 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.060 15.590 -4.223 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.261 17.081 -4.405 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.215 17.514 -5.052 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.360 17.876 -3.839 1.00 0.00 N ATOM 0 H ASN A 68 -1.722 13.193 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.784 15.573 -5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.950 15.062 -4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.948 15.369 -3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.443 18.888 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.585 17.474 -3.311 1.00 0.00 H new ATOM 1029 N ALA A 69 0.867 14.369 -3.414 1.00 0.00 N ATOM 1030 CA ALA A 69 2.066 14.487 -2.598 1.00 0.00 C ATOM 1031 C ALA A 69 3.331 14.353 -3.440 1.00 0.00 C ATOM 1032 O ALA A 69 4.405 14.800 -3.040 1.00 0.00 O ATOM 1033 CB ALA A 69 2.054 13.424 -1.509 1.00 0.00 C ATOM 0 H ALA A 69 0.397 13.467 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 69 2.069 15.478 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.954 13.516 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.175 13.558 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.025 12.435 -1.966 1.00 0.00 H new ATOM 1039 N GLY A 70 3.200 13.720 -4.603 1.00 0.00 N ATOM 1040 CA GLY A 70 4.341 13.524 -5.476 1.00 0.00 C ATOM 1041 C GLY A 70 4.726 12.062 -5.559 1.00 0.00 C ATOM 1042 O GLY A 70 5.869 11.725 -5.865 1.00 0.00 O ATOM 0 H GLY A 70 2.322 13.339 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.107 13.898 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.187 14.105 -5.108 1.00 0.00 H new ATOM 1046 N PHE A 71 3.761 11.195 -5.269 1.00 0.00 N ATOM 1047 CA PHE A 71 3.978 9.758 -5.291 1.00 0.00 C ATOM 1048 C PHE A 71 2.879 9.086 -6.104 1.00 0.00 C ATOM 1049 O PHE A 71 1.749 9.560 -6.135 1.00 0.00 O ATOM 1050 CB PHE A 71 3.968 9.215 -3.861 1.00 0.00 C ATOM 1051 CG PHE A 71 4.469 10.197 -2.837 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.687 10.837 -3.008 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.715 10.491 -1.709 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.146 11.748 -2.076 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.168 11.401 -0.774 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.387 12.031 -0.956 1.00 0.00 C ATOM 0 H PHE A 71 2.812 11.470 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 71 4.944 9.546 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.951 8.920 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.582 8.315 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.285 10.621 -3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.763 10.002 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.097 12.239 -2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.571 11.621 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.744 12.741 -0.225 1.00 0.00 H new ATOM 1066 N ASP A 72 3.204 7.981 -6.759 1.00 0.00 N ATOM 1067 CA ASP A 72 2.217 7.268 -7.561 1.00 0.00 C ATOM 1068 C ASP A 72 1.524 6.191 -6.733 1.00 0.00 C ATOM 1069 O ASP A 72 1.795 5.004 -6.903 1.00 0.00 O ATOM 1070 CB ASP A 72 2.880 6.641 -8.788 1.00 0.00 C ATOM 1071 CG ASP A 72 1.873 6.237 -9.848 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.220 5.189 -9.676 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.739 6.971 -10.848 1.00 0.00 O ATOM 0 H ASP A 72 4.133 7.561 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 72 1.467 7.985 -7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.589 7.350 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.451 5.765 -8.481 1.00 0.00 H new ATOM 1078 N ALA A 73 0.623 6.607 -5.843 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.100 5.661 -5.000 1.00 0.00 C ATOM 1080 C ALA A 73 -1.343 5.114 -5.688 1.00 0.00 C ATOM 1081 O ALA A 73 -2.053 5.836 -6.389 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.494 6.316 -3.685 1.00 0.00 C ATOM 0 H ALA A 73 0.379 7.585 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 73 0.573 4.825 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.033 5.597 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.402 6.646 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.135 7.175 -3.884 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.603 3.832 -5.464 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.768 3.167 -6.031 1.00 0.00 C ATOM 1090 C ILE A 74 -3.460 2.338 -4.958 1.00 0.00 C ATOM 1091 O ILE A 74 -2.856 2.017 -3.939 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.381 2.251 -7.210 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.345 1.218 -6.765 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.847 3.078 -8.369 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.576 -0.159 -7.352 1.00 0.00 C ATOM 0 H ILE A 74 -1.016 3.228 -4.888 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.442 3.938 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.272 1.721 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.352 1.564 -7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.357 1.148 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.578 2.418 -9.194 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.614 3.778 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.966 3.632 -8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.805 -0.841 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.555 -0.526 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.534 -0.103 -8.440 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.719 1.988 -5.182 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.461 1.193 -4.209 1.00 0.00 C ATOM 1109 C VAL A 75 -5.778 -0.190 -4.760 1.00 0.00 C ATOM 1110 O VAL A 75 -6.159 -0.336 -5.923 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.769 1.891 -3.781 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.573 1.008 -2.835 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.459 3.233 -3.132 1.00 0.00 C ATOM 0 H VAL A 75 -5.245 2.238 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.822 1.090 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.374 2.065 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.490 1.523 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.823 0.072 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.982 0.796 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.389 3.717 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.834 3.076 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.932 3.868 -3.844 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.616 -1.205 -3.918 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.884 -2.577 -4.322 1.00 0.00 C ATOM 1125 C ILE A 76 -6.584 -3.357 -3.216 1.00 0.00 C ATOM 1126 O ILE A 76 -6.259 -3.211 -2.032 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.584 -3.310 -4.705 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.570 -3.227 -3.563 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.002 -2.726 -5.983 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.309 -4.026 -3.814 1.00 0.00 C ATOM 0 H ILE A 76 -5.301 -1.102 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.539 -2.525 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.816 -4.360 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.302 -2.183 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.039 -3.582 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.084 -3.255 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.722 -2.835 -6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.782 -1.669 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.636 -3.921 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.565 -5.077 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.817 -3.656 -4.714 1.00 0.00 H new