USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 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 80 CYS SG : rot 180:sc= -0.0753 USER MOD Set 1.2: A 84 MET CE :methyl -173:sc= -0.621 (180deg=-1.07) USER MOD Set 2.1: A 51 MET CE :methyl -137:sc= -3.08 (180deg=-3.56!) USER MOD Set 2.2: A 82 MET CE :methyl 136:sc= -0.889 (180deg=-4.14!) USER MOD Single : A 18 THR OG1 : rot 30:sc= -0.772 USER MOD Single : A 20 GLN : amide:sc= -1.64! C(o=-1.6!,f=-5.6!) USER MOD Single : A 23 MET CE :methyl 152:sc= -1.15 (180deg=-2.56!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.347 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= 0.639 (180deg=0.415) USER MOD Single : A 42 GLN : amide:sc= -0.527 K(o=-0.53,f=-1.2) USER MOD Single : A 44 GLN : amide:sc= 0.0826 K(o=0.083,f=-3.2!) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.105 (180deg=-0.501) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.53 F(o=-3.2!,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= -0.0271 (180deg=-0.701!) USER MOD Single : A 77 GLN : amide:sc= 0.214 X(o=0.21,f=-0.027) USER MOD Single : A 78 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -3.438 -8.763 -2.879 1.00 0.00 N ATOM 166 CA THR A 18 -4.441 -7.747 -3.121 1.00 0.00 C ATOM 167 C THR A 18 -3.779 -6.418 -3.477 1.00 0.00 C ATOM 168 O THR A 18 -2.851 -5.975 -2.800 1.00 0.00 O ATOM 169 CB THR A 18 -5.344 -7.580 -1.879 1.00 0.00 C ATOM 170 OG1 THR A 18 -6.095 -8.782 -1.665 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.298 -6.405 -2.026 1.00 0.00 C ATOM 0 HA THR A 18 -5.058 -8.063 -3.962 1.00 0.00 H new ATOM 0 HB THR A 18 -4.699 -7.382 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.580 -9.551 -1.986 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.915 -6.323 -1.131 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.726 -5.486 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.938 -6.562 -2.894 1.00 0.00 H new ATOM 179 N VAL A 19 -4.237 -5.803 -4.560 1.00 0.00 N ATOM 180 CA VAL A 19 -3.744 -4.494 -4.963 1.00 0.00 C ATOM 181 C VAL A 19 -4.873 -3.484 -4.910 1.00 0.00 C ATOM 182 O VAL A 19 -5.902 -3.656 -5.568 1.00 0.00 O ATOM 183 CB VAL A 19 -3.153 -4.496 -6.390 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.680 -3.101 -6.778 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.013 -5.490 -6.499 1.00 0.00 C ATOM 0 H VAL A 19 -4.951 -6.192 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.948 -4.228 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.940 -4.799 -7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.267 -3.124 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.522 -2.409 -6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.912 -2.770 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.612 -5.474 -7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.227 -5.221 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.379 -6.491 -6.269 1.00 0.00 H new ATOM 195 N GLN A 20 -4.696 -2.449 -4.118 1.00 0.00 N ATOM 196 CA GLN A 20 -5.689 -1.403 -4.025 1.00 0.00 C ATOM 197 C GLN A 20 -5.118 -0.108 -4.575 1.00 0.00 C ATOM 198 O GLN A 20 -4.180 0.451 -4.014 1.00 0.00 O ATOM 199 CB GLN A 20 -6.128 -1.230 -2.574 1.00 0.00 C ATOM 200 CG GLN A 20 -7.578 -0.820 -2.425 1.00 0.00 C ATOM 201 CD GLN A 20 -8.060 -0.896 -0.991 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.285 -0.755 -0.055 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.350 -1.127 -0.815 1.00 0.00 N ATOM 0 H GLN A 20 -3.874 -2.310 -3.530 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.563 -1.676 -4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.967 -2.167 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.496 -0.480 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.704 0.198 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.200 -1.463 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.963 -1.239 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.732 -1.194 0.128 1.00 0.00 H new ATOM 212 N GLU A 21 -5.670 0.343 -5.691 1.00 0.00 N ATOM 213 CA GLU A 21 -5.231 1.582 -6.317 1.00 0.00 C ATOM 214 C GLU A 21 -6.160 2.729 -5.969 1.00 0.00 C ATOM 215 O GLU A 21 -7.325 2.747 -6.369 1.00 0.00 O ATOM 216 CB GLU A 21 -5.131 1.420 -7.835 1.00 0.00 C ATOM 217 CG GLU A 21 -3.958 0.560 -8.255 1.00 0.00 C ATOM 218 CD GLU A 21 -3.822 0.420 -9.757 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.686 -0.229 -10.379 1.00 0.00 O ATOM 220 OE2 GLU A 21 -2.842 0.951 -10.322 1.00 0.00 O ATOM 0 H GLU A 21 -6.426 -0.132 -6.184 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.240 1.816 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.054 0.977 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.039 2.403 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.040 0.989 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.067 -0.431 -7.814 1.00 0.00 H new ATOM 227 N ILE A 22 -5.638 3.677 -5.211 1.00 0.00 N ATOM 228 CA ILE A 22 -6.403 4.845 -4.814 1.00 0.00 C ATOM 229 C ILE A 22 -6.086 6.008 -5.748 1.00 0.00 C ATOM 230 O ILE A 22 -5.024 6.033 -6.371 1.00 0.00 O ATOM 231 CB ILE A 22 -6.086 5.262 -3.359 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.003 4.031 -2.448 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.147 6.224 -2.837 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.287 3.228 -2.386 1.00 0.00 C ATOM 0 H ILE A 22 -4.682 3.660 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.461 4.589 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.119 5.766 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.198 3.385 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.738 4.353 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.909 6.507 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.170 7.115 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.122 5.738 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.150 2.374 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.092 3.857 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.544 2.874 -3.385 1.00 0.00 H new ATOM 246 N MET A 23 -7.013 6.947 -5.858 1.00 0.00 N ATOM 247 CA MET A 23 -6.804 8.151 -6.643 1.00 0.00 C ATOM 248 C MET A 23 -6.661 9.336 -5.706 1.00 0.00 C ATOM 249 O MET A 23 -7.653 9.953 -5.312 1.00 0.00 O ATOM 250 CB MET A 23 -7.977 8.387 -7.592 1.00 0.00 C ATOM 251 CG MET A 23 -8.153 7.308 -8.651 1.00 0.00 C ATOM 252 SD MET A 23 -7.266 7.647 -10.194 1.00 0.00 S ATOM 253 CE MET A 23 -5.555 7.487 -9.690 1.00 0.00 C ATOM 0 H MET A 23 -7.927 6.896 -5.408 1.00 0.00 H new ATOM 0 HA MET A 23 -5.898 8.033 -7.237 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.894 8.458 -7.007 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.840 9.348 -8.088 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.809 6.356 -8.247 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.215 7.197 -8.870 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.952 7.176 -10.543 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.193 8.447 -9.320 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.477 6.741 -8.899 1.00 0.00 H new ATOM 263 N ILE A 24 -5.430 9.633 -5.338 1.00 0.00 N ATOM 264 CA ILE A 24 -5.160 10.678 -4.364 1.00 0.00 C ATOM 265 C ILE A 24 -5.239 12.053 -5.016 1.00 0.00 C ATOM 266 O ILE A 24 -4.606 12.289 -6.041 1.00 0.00 O ATOM 267 CB ILE A 24 -3.766 10.500 -3.722 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.602 9.080 -3.171 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.546 11.526 -2.615 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.688 8.675 -2.199 1.00 0.00 C ATOM 0 H ILE A 24 -4.598 9.166 -5.698 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.919 10.600 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.015 10.660 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.591 8.376 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.635 9.002 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.558 11.382 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.616 12.531 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.307 11.399 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.505 7.658 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.686 9.355 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.657 8.719 -2.697 1.00 0.00 H new ATOM 282 N PRO A 25 -6.038 12.966 -4.439 1.00 0.00 N ATOM 283 CA PRO A 25 -6.156 14.341 -4.929 1.00 0.00 C ATOM 284 C PRO A 25 -4.790 14.979 -5.175 1.00 0.00 C ATOM 285 O PRO A 25 -3.897 14.908 -4.327 1.00 0.00 O ATOM 286 CB PRO A 25 -6.888 15.055 -3.790 1.00 0.00 C ATOM 287 CG PRO A 25 -7.708 13.990 -3.155 1.00 0.00 C ATOM 288 CD PRO A 25 -6.902 12.723 -3.272 1.00 0.00 C ATOM 0 HA PRO A 25 -6.674 14.398 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.187 15.494 -3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.512 15.867 -4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.915 14.226 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.671 13.888 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.316 12.536 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.542 11.854 -3.422 1.00 0.00 H new ATOM 296 N ALA A 26 -4.640 15.590 -6.346 1.00 0.00 N ATOM 297 CA ALA A 26 -3.368 16.163 -6.773 1.00 0.00 C ATOM 298 C ALA A 26 -2.881 17.237 -5.807 1.00 0.00 C ATOM 299 O ALA A 26 -1.678 17.432 -5.643 1.00 0.00 O ATOM 300 CB ALA A 26 -3.493 16.734 -8.177 1.00 0.00 C ATOM 0 H ALA A 26 -5.394 15.702 -7.024 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.629 15.362 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.537 17.158 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.776 15.941 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.256 17.513 -8.186 1.00 0.00 H new ATOM 306 N GLY A 27 -3.816 17.928 -5.171 1.00 0.00 N ATOM 307 CA GLY A 27 -3.457 18.953 -4.211 1.00 0.00 C ATOM 308 C GLY A 27 -3.430 18.427 -2.790 1.00 0.00 C ATOM 309 O GLY A 27 -3.370 19.201 -1.835 1.00 0.00 O ATOM 0 H GLY A 27 -4.819 17.797 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.477 19.358 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.169 19.776 -4.278 1.00 0.00 H new ATOM 313 N LYS A 28 -3.473 17.108 -2.646 1.00 0.00 N ATOM 314 CA LYS A 28 -3.460 16.483 -1.331 1.00 0.00 C ATOM 315 C LYS A 28 -2.340 15.445 -1.249 1.00 0.00 C ATOM 316 O LYS A 28 -2.235 14.695 -0.275 1.00 0.00 O ATOM 317 CB LYS A 28 -4.809 15.815 -1.055 1.00 0.00 C ATOM 318 CG LYS A 28 -5.355 16.073 0.338 1.00 0.00 C ATOM 319 CD LYS A 28 -5.873 17.489 0.476 1.00 0.00 C ATOM 320 CE LYS A 28 -6.391 17.763 1.877 1.00 0.00 C ATOM 321 NZ LYS A 28 -7.036 19.097 1.983 1.00 0.00 N ATOM 0 H LYS A 28 -3.517 16.451 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.283 17.253 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.534 16.168 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.706 14.740 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.158 15.368 0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.572 15.897 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.075 18.193 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.672 17.656 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.108 16.991 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.566 17.702 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.375 19.242 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.345 19.837 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.840 19.147 1.325 1.00 0.00 H new ATOM 335 N ALA A 29 -1.498 15.417 -2.273 1.00 0.00 N ATOM 336 CA ALA A 29 -0.420 14.436 -2.365 1.00 0.00 C ATOM 337 C ALA A 29 0.663 14.710 -1.327 1.00 0.00 C ATOM 338 O ALA A 29 1.417 13.814 -0.944 1.00 0.00 O ATOM 339 CB ALA A 29 0.172 14.437 -3.766 1.00 0.00 C ATOM 0 H ALA A 29 -1.540 16.067 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.838 13.450 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.975 13.702 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.604 14.184 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.570 15.426 -3.992 1.00 0.00 H new ATOM 345 N GLY A 30 0.724 15.947 -0.865 1.00 0.00 N ATOM 346 CA GLY A 30 1.685 16.309 0.151 1.00 0.00 C ATOM 347 C GLY A 30 1.392 15.650 1.485 1.00 0.00 C ATOM 348 O GLY A 30 2.258 15.591 2.356 1.00 0.00 O ATOM 0 H GLY A 30 0.123 16.709 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.684 16.025 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.687 17.392 0.276 1.00 0.00 H new ATOM 352 N LEU A 31 0.171 15.156 1.655 1.00 0.00 N ATOM 353 CA LEU A 31 -0.219 14.518 2.906 1.00 0.00 C ATOM 354 C LEU A 31 0.123 13.032 2.904 1.00 0.00 C ATOM 355 O LEU A 31 0.549 12.488 3.922 1.00 0.00 O ATOM 356 CB LEU A 31 -1.711 14.710 3.170 1.00 0.00 C ATOM 357 CG LEU A 31 -2.168 16.163 3.288 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.626 16.224 3.703 1.00 0.00 C ATOM 359 CD2 LEU A 31 -1.296 16.921 4.279 1.00 0.00 C ATOM 0 H LEU A 31 -0.562 15.185 0.946 1.00 0.00 H new ATOM 0 HA LEU A 31 0.346 14.997 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.271 14.234 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.971 14.188 4.091 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.066 16.638 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.938 17.265 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.238 15.718 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.751 15.733 4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.638 17.954 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.365 16.449 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.260 16.904 3.940 1.00 0.00 H new ATOM 371 N VAL A 32 -0.059 12.382 1.759 1.00 0.00 N ATOM 372 CA VAL A 32 0.239 10.957 1.644 1.00 0.00 C ATOM 373 C VAL A 32 1.744 10.707 1.683 1.00 0.00 C ATOM 374 O VAL A 32 2.202 9.681 2.182 1.00 0.00 O ATOM 375 CB VAL A 32 -0.360 10.328 0.367 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.842 10.051 0.550 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.142 11.220 -0.839 1.00 0.00 C ATOM 0 H VAL A 32 -0.408 12.814 0.904 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.230 10.476 2.503 1.00 0.00 H new ATOM 0 HB VAL A 32 0.156 9.384 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.245 9.608 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.983 9.361 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.363 10.985 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.575 10.750 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.621 12.184 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.927 11.368 -0.994 1.00 0.00 H new ATOM 387 N ILE A 33 2.508 11.652 1.153 1.00 0.00 N ATOM 388 CA ILE A 33 3.962 11.584 1.217 1.00 0.00 C ATOM 389 C ILE A 33 4.445 12.123 2.560 1.00 0.00 C ATOM 390 O ILE A 33 5.403 11.617 3.156 1.00 0.00 O ATOM 391 CB ILE A 33 4.618 12.394 0.076 1.00 0.00 C ATOM 392 CG1 ILE A 33 4.071 11.945 -1.280 1.00 0.00 C ATOM 393 CG2 ILE A 33 6.131 12.239 0.113 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.560 12.788 -2.437 1.00 0.00 C ATOM 0 H ILE A 33 2.145 12.476 0.673 1.00 0.00 H new ATOM 0 HA ILE A 33 4.252 10.539 1.106 1.00 0.00 H new ATOM 0 HB ILE A 33 4.375 13.447 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.355 10.907 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.982 11.977 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.576 12.816 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.511 12.602 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.392 11.187 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.132 12.413 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.253 13.823 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.647 12.736 -2.491 1.00 0.00 H new ATOM 406 N GLY A 34 3.755 13.150 3.031 1.00 0.00 N ATOM 407 CA GLY A 34 4.095 13.774 4.289 1.00 0.00 C ATOM 408 C GLY A 34 4.854 15.064 4.083 1.00 0.00 C ATOM 409 O GLY A 34 5.255 15.375 2.959 1.00 0.00 O ATOM 0 H GLY A 34 2.955 13.566 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.185 13.973 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.697 13.088 4.885 1.00 0.00 H new ATOM 413 N LYS A 35 5.073 15.810 5.156 1.00 0.00 N ATOM 414 CA LYS A 35 5.814 17.063 5.075 1.00 0.00 C ATOM 415 C LYS A 35 7.317 16.793 5.079 1.00 0.00 C ATOM 416 O LYS A 35 8.072 17.402 5.842 1.00 0.00 O ATOM 417 CB LYS A 35 5.449 18.005 6.232 1.00 0.00 C ATOM 418 CG LYS A 35 4.106 18.708 6.078 1.00 0.00 C ATOM 419 CD LYS A 35 2.944 17.864 6.571 1.00 0.00 C ATOM 420 CE LYS A 35 1.645 18.656 6.524 1.00 0.00 C ATOM 421 NZ LYS A 35 0.540 17.984 7.260 1.00 0.00 N ATOM 0 H LYS A 35 4.749 15.571 6.093 1.00 0.00 H new ATOM 0 HA LYS A 35 5.539 17.551 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.441 17.433 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.230 18.759 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.127 19.648 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.949 18.958 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.852 16.969 5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.136 17.532 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.811 19.646 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.349 18.801 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.321 18.563 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.360 17.050 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.808 17.868 8.258 1.00 0.00 H new ATOM 435 N GLY A 36 7.740 15.865 4.233 1.00 0.00 N ATOM 436 CA GLY A 36 9.144 15.531 4.132 1.00 0.00 C ATOM 437 C GLY A 36 9.368 14.300 3.284 1.00 0.00 C ATOM 438 O GLY A 36 10.248 14.276 2.423 1.00 0.00 O ATOM 0 H GLY A 36 7.130 15.334 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.688 16.372 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.551 15.364 5.129 1.00 0.00 H new ATOM 442 N GLY A 37 8.548 13.285 3.508 1.00 0.00 N ATOM 443 CA GLY A 37 8.707 12.032 2.797 1.00 0.00 C ATOM 444 C GLY A 37 8.878 10.871 3.750 1.00 0.00 C ATOM 445 O GLY A 37 8.955 9.714 3.334 1.00 0.00 O ATOM 0 H GLY A 37 7.773 13.306 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.837 11.859 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.573 12.094 2.138 1.00 0.00 H new ATOM 449 N GLU A 38 8.945 11.183 5.036 1.00 0.00 N ATOM 450 CA GLU A 38 9.080 10.160 6.063 1.00 0.00 C ATOM 451 C GLU A 38 7.753 9.448 6.263 1.00 0.00 C ATOM 452 O GLU A 38 7.712 8.254 6.548 1.00 0.00 O ATOM 453 CB GLU A 38 9.517 10.772 7.394 1.00 0.00 C ATOM 454 CG GLU A 38 10.463 11.956 7.264 1.00 0.00 C ATOM 455 CD GLU A 38 11.707 11.628 6.474 1.00 0.00 C ATOM 456 OE1 GLU A 38 12.511 10.800 6.946 1.00 0.00 O ATOM 457 OE2 GLU A 38 11.883 12.196 5.375 1.00 0.00 O ATOM 0 H GLU A 38 8.908 12.138 5.394 1.00 0.00 H new ATOM 0 HA GLU A 38 9.840 9.452 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.630 11.090 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.001 10.000 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.940 12.782 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.749 12.297 8.259 1.00 0.00 H new ATOM 464 N THR A 39 6.669 10.198 6.098 1.00 0.00 N ATOM 465 CA THR A 39 5.332 9.685 6.331 1.00 0.00 C ATOM 466 C THR A 39 5.045 8.477 5.451 1.00 0.00 C ATOM 467 O THR A 39 4.700 7.411 5.958 1.00 0.00 O ATOM 468 CB THR A 39 4.280 10.782 6.087 1.00 0.00 C ATOM 469 OG1 THR A 39 4.566 11.910 6.926 1.00 0.00 O ATOM 470 CG2 THR A 39 2.875 10.273 6.369 1.00 0.00 C ATOM 0 H THR A 39 6.696 11.173 5.800 1.00 0.00 H new ATOM 0 HA THR A 39 5.275 9.369 7.373 1.00 0.00 H new ATOM 0 HB THR A 39 4.326 11.077 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.817 12.541 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.155 11.071 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.655 9.430 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.806 9.952 7.408 1.00 0.00 H new ATOM 478 N ILE A 40 5.222 8.637 4.143 1.00 0.00 N ATOM 479 CA ILE A 40 4.978 7.543 3.203 1.00 0.00 C ATOM 480 C ILE A 40 5.876 6.340 3.510 1.00 0.00 C ATOM 481 O ILE A 40 5.465 5.188 3.353 1.00 0.00 O ATOM 482 CB ILE A 40 5.166 7.994 1.737 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.912 6.826 0.774 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.555 8.582 1.520 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.062 7.192 -0.686 1.00 0.00 C ATOM 0 H ILE A 40 5.531 9.507 3.710 1.00 0.00 H new ATOM 0 HA ILE A 40 3.938 7.240 3.329 1.00 0.00 H new ATOM 0 HB ILE A 40 4.435 8.775 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.604 6.017 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.905 6.443 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.661 8.891 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.690 9.446 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.309 7.830 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.867 6.315 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.351 7.979 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.076 7.547 -0.870 1.00 0.00 H new ATOM 497 N LYS A 41 7.095 6.614 3.967 1.00 0.00 N ATOM 498 CA LYS A 41 8.002 5.559 4.394 1.00 0.00 C ATOM 499 C LYS A 41 7.413 4.801 5.578 1.00 0.00 C ATOM 500 O LYS A 41 7.341 3.571 5.564 1.00 0.00 O ATOM 501 CB LYS A 41 9.372 6.139 4.771 1.00 0.00 C ATOM 502 CG LYS A 41 10.226 5.184 5.591 1.00 0.00 C ATOM 503 CD LYS A 41 11.601 5.756 5.877 1.00 0.00 C ATOM 504 CE LYS A 41 12.372 4.898 6.872 1.00 0.00 C ATOM 505 NZ LYS A 41 12.541 3.494 6.406 1.00 0.00 N ATOM 0 H LYS A 41 7.475 7.557 4.050 1.00 0.00 H new ATOM 0 HA LYS A 41 8.136 4.868 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.909 6.405 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.226 7.060 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.722 4.963 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.330 4.240 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.165 5.831 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.500 6.768 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.353 5.341 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.850 4.899 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.340 3.056 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.673 2.956 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.728 3.488 5.383 1.00 0.00 H new ATOM 519 N GLN A 42 6.955 5.545 6.578 1.00 0.00 N ATOM 520 CA GLN A 42 6.460 4.955 7.812 1.00 0.00 C ATOM 521 C GLN A 42 5.221 4.131 7.559 1.00 0.00 C ATOM 522 O GLN A 42 4.998 3.121 8.218 1.00 0.00 O ATOM 523 CB GLN A 42 6.147 6.032 8.846 1.00 0.00 C ATOM 524 CG GLN A 42 7.375 6.759 9.355 1.00 0.00 C ATOM 525 CD GLN A 42 8.473 5.815 9.808 1.00 0.00 C ATOM 526 OE1 GLN A 42 8.209 4.713 10.298 1.00 0.00 O ATOM 527 NE2 GLN A 42 9.715 6.234 9.632 1.00 0.00 N ATOM 0 H GLN A 42 6.917 6.564 6.556 1.00 0.00 H new ATOM 0 HA GLN A 42 7.246 4.307 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.462 6.757 8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.630 5.575 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.761 7.406 8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.091 7.404 10.187 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.890 7.152 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.497 5.639 9.905 1.00 0.00 H new ATOM 536 N LEU A 43 4.419 4.566 6.602 1.00 0.00 N ATOM 537 CA LEU A 43 3.205 3.856 6.252 1.00 0.00 C ATOM 538 C LEU A 43 3.527 2.426 5.835 1.00 0.00 C ATOM 539 O LEU A 43 2.912 1.477 6.317 1.00 0.00 O ATOM 540 CB LEU A 43 2.478 4.578 5.125 1.00 0.00 C ATOM 541 CG LEU A 43 2.137 6.043 5.402 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.544 6.698 4.169 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.176 6.155 6.575 1.00 0.00 C ATOM 0 H LEU A 43 4.589 5.409 6.054 1.00 0.00 H new ATOM 0 HA LEU A 43 2.557 3.827 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.094 4.529 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.554 4.042 4.908 1.00 0.00 H new ATOM 0 HG LEU A 43 3.059 6.564 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.309 7.740 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.263 6.653 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.633 6.173 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.945 7.205 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.257 5.616 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.636 5.725 7.465 1.00 0.00 H new ATOM 555 N GLN A 44 4.510 2.280 4.955 1.00 0.00 N ATOM 556 CA GLN A 44 4.926 0.962 4.492 1.00 0.00 C ATOM 557 C GLN A 44 5.535 0.159 5.639 1.00 0.00 C ATOM 558 O GLN A 44 5.307 -1.047 5.754 1.00 0.00 O ATOM 559 CB GLN A 44 5.931 1.089 3.346 1.00 0.00 C ATOM 560 CG GLN A 44 5.403 1.872 2.157 1.00 0.00 C ATOM 561 CD GLN A 44 6.361 1.861 0.986 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.297 0.981 0.127 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.249 2.839 0.940 1.00 0.00 N ATOM 0 H GLN A 44 5.033 3.056 4.549 1.00 0.00 H new ATOM 0 HA GLN A 44 4.045 0.434 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.834 1.574 3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.219 0.091 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.447 1.452 1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.215 2.902 2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.266 3.547 1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.917 2.885 0.171 1.00 0.00 H new ATOM 572 N GLU A 45 6.297 0.846 6.488 1.00 0.00 N ATOM 573 CA GLU A 45 6.910 0.226 7.661 1.00 0.00 C ATOM 574 C GLU A 45 5.839 -0.334 8.597 1.00 0.00 C ATOM 575 O GLU A 45 5.866 -1.507 8.967 1.00 0.00 O ATOM 576 CB GLU A 45 7.745 1.259 8.433 1.00 0.00 C ATOM 577 CG GLU A 45 8.863 1.913 7.632 1.00 0.00 C ATOM 578 CD GLU A 45 10.079 1.029 7.455 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.336 0.181 8.335 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.804 1.204 6.451 1.00 0.00 O ATOM 0 H GLU A 45 6.506 1.839 6.384 1.00 0.00 H new ATOM 0 HA GLU A 45 7.550 -0.585 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.079 2.039 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.181 0.772 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.480 2.191 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.164 2.835 8.130 1.00 0.00 H new ATOM 587 N ARG A 46 4.884 0.519 8.952 1.00 0.00 N ATOM 588 CA ARG A 46 3.909 0.199 9.986 1.00 0.00 C ATOM 589 C ARG A 46 2.810 -0.737 9.488 1.00 0.00 C ATOM 590 O ARG A 46 2.263 -1.516 10.265 1.00 0.00 O ATOM 591 CB ARG A 46 3.289 1.484 10.549 1.00 0.00 C ATOM 592 CG ARG A 46 2.409 2.247 9.569 1.00 0.00 C ATOM 593 CD ARG A 46 1.759 3.448 10.236 1.00 0.00 C ATOM 594 NE ARG A 46 0.891 3.041 11.342 1.00 0.00 N ATOM 595 CZ ARG A 46 -0.125 3.764 11.815 1.00 0.00 C ATOM 596 NH1 ARG A 46 -0.385 4.968 11.320 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.877 3.281 12.795 1.00 0.00 N ATOM 0 H ARG A 46 4.765 1.442 8.535 1.00 0.00 H new ATOM 0 HA ARG A 46 4.446 -0.326 10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.696 1.231 11.428 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.091 2.142 10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.007 2.578 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.638 1.584 9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.531 4.122 10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.177 4.004 9.501 1.00 0.00 H new ATOM 0 HE ARG A 46 1.076 2.140 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.194 5.348 10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.164 5.513 11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.677 2.360 13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.655 3.831 13.159 1.00 0.00 H new ATOM 611 N ALA A 47 2.482 -0.666 8.208 1.00 0.00 N ATOM 612 CA ALA A 47 1.387 -1.464 7.676 1.00 0.00 C ATOM 613 C ALA A 47 1.852 -2.844 7.234 1.00 0.00 C ATOM 614 O ALA A 47 1.074 -3.792 7.230 1.00 0.00 O ATOM 615 CB ALA A 47 0.698 -0.743 6.532 1.00 0.00 C ATOM 0 H ALA A 47 2.951 -0.072 7.524 1.00 0.00 H new ATOM 0 HA ALA A 47 0.668 -1.603 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.116 -1.359 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.299 0.207 6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.416 -0.558 5.733 1.00 0.00 H new ATOM 621 N GLY A 48 3.127 -2.957 6.883 1.00 0.00 N ATOM 622 CA GLY A 48 3.662 -4.234 6.443 1.00 0.00 C ATOM 623 C GLY A 48 3.289 -4.554 5.009 1.00 0.00 C ATOM 624 O GLY A 48 3.232 -5.719 4.619 1.00 0.00 O ATOM 0 H GLY A 48 3.800 -2.190 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.748 -4.222 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.293 -5.024 7.097 1.00 0.00 H new ATOM 628 N VAL A 49 3.021 -3.514 4.232 1.00 0.00 N ATOM 629 CA VAL A 49 2.703 -3.663 2.816 1.00 0.00 C ATOM 630 C VAL A 49 3.452 -2.623 2.006 1.00 0.00 C ATOM 631 O VAL A 49 4.184 -1.801 2.564 1.00 0.00 O ATOM 632 CB VAL A 49 1.194 -3.520 2.524 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.439 -4.757 2.970 1.00 0.00 C ATOM 634 CG2 VAL A 49 0.624 -2.274 3.191 1.00 0.00 C ATOM 0 H VAL A 49 3.017 -2.549 4.561 1.00 0.00 H new ATOM 0 HA VAL A 49 3.007 -4.671 2.533 1.00 0.00 H new ATOM 0 HB VAL A 49 1.070 -3.414 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.622 -4.633 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.819 -5.628 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.577 -4.901 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.440 -2.197 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.766 -2.341 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.138 -1.391 2.812 1.00 0.00 H new ATOM 644 N LYS A 50 3.265 -2.655 0.699 1.00 0.00 N ATOM 645 CA LYS A 50 3.932 -1.703 -0.172 1.00 0.00 C ATOM 646 C LYS A 50 2.945 -0.673 -0.706 1.00 0.00 C ATOM 647 O LYS A 50 1.925 -1.024 -1.296 1.00 0.00 O ATOM 648 CB LYS A 50 4.627 -2.416 -1.331 1.00 0.00 C ATOM 649 CG LYS A 50 5.409 -1.472 -2.225 1.00 0.00 C ATOM 650 CD LYS A 50 6.224 -2.224 -3.258 1.00 0.00 C ATOM 651 CE LYS A 50 7.067 -1.278 -4.093 1.00 0.00 C ATOM 652 NZ LYS A 50 7.948 -0.430 -3.246 1.00 0.00 N ATOM 0 H LYS A 50 2.662 -3.324 0.220 1.00 0.00 H new ATOM 0 HA LYS A 50 4.688 -1.186 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.303 -3.173 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.880 -2.939 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.720 -0.794 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.072 -0.858 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.871 -2.946 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.557 -2.790 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.677 -1.853 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.415 -0.641 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.699 -0.015 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.386 0.331 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.376 -1.012 -2.498 1.00 0.00 H new ATOM 666 N MET A 51 3.257 0.594 -0.481 1.00 0.00 N ATOM 667 CA MET A 51 2.443 1.695 -0.971 1.00 0.00 C ATOM 668 C MET A 51 3.283 2.540 -1.908 1.00 0.00 C ATOM 669 O MET A 51 4.293 3.111 -1.493 1.00 0.00 O ATOM 670 CB MET A 51 1.955 2.571 0.184 1.00 0.00 C ATOM 671 CG MET A 51 1.374 1.792 1.345 1.00 0.00 C ATOM 672 SD MET A 51 0.799 2.864 2.669 1.00 0.00 S ATOM 673 CE MET A 51 0.568 1.666 3.973 1.00 0.00 C ATOM 0 H MET A 51 4.080 0.887 0.045 1.00 0.00 H new ATOM 0 HA MET A 51 1.575 1.287 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.787 3.175 0.545 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.200 3.261 -0.191 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.545 1.180 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.129 1.110 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.368 1.871 4.493 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.534 0.664 3.545 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.397 1.731 4.678 1.00 0.00 H new ATOM 683 N ILE A 52 2.901 2.604 -3.165 1.00 0.00 N ATOM 684 CA ILE A 52 3.637 3.415 -4.115 1.00 0.00 C ATOM 685 C ILE A 52 2.810 4.616 -4.553 1.00 0.00 C ATOM 686 O ILE A 52 1.758 4.478 -5.182 1.00 0.00 O ATOM 687 CB ILE A 52 4.104 2.596 -5.344 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.812 3.507 -6.355 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.939 1.863 -5.993 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.363 2.769 -7.555 1.00 0.00 C ATOM 0 H ILE A 52 2.096 2.112 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 52 4.532 3.773 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 52 4.815 1.844 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.111 4.268 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.628 4.027 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.299 1.297 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.491 1.180 -5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.192 2.586 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.849 3.477 -8.226 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.089 2.026 -7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.549 2.271 -8.081 1.00 0.00 H new ATOM 702 N LEU A 53 3.271 5.795 -4.174 1.00 0.00 N ATOM 703 CA LEU A 53 2.637 7.028 -4.597 1.00 0.00 C ATOM 704 C LEU A 53 3.231 7.474 -5.921 1.00 0.00 C ATOM 705 O LEU A 53 4.337 8.010 -5.962 1.00 0.00 O ATOM 706 CB LEU A 53 2.822 8.125 -3.536 1.00 0.00 C ATOM 707 CG LEU A 53 1.690 8.274 -2.515 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.357 8.456 -3.222 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.646 7.087 -1.568 1.00 0.00 C ATOM 0 H LEU A 53 4.085 5.923 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 53 1.569 6.852 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.747 7.927 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.950 9.079 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 53 1.886 9.165 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.436 8.560 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.394 9.351 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.156 7.587 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.833 7.221 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.482 6.173 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.592 7.015 -1.031 1.00 0.00 H new ATOM 721 N ILE A 54 2.501 7.243 -6.998 1.00 0.00 N ATOM 722 CA ILE A 54 2.969 7.618 -8.319 1.00 0.00 C ATOM 723 C ILE A 54 2.832 9.124 -8.513 1.00 0.00 C ATOM 724 O ILE A 54 1.766 9.630 -8.870 1.00 0.00 O ATOM 725 CB ILE A 54 2.205 6.855 -9.421 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.371 5.343 -9.221 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.702 7.266 -10.798 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.621 4.504 -10.233 1.00 0.00 C ATOM 0 H ILE A 54 1.583 6.798 -6.983 1.00 0.00 H new ATOM 0 HA ILE A 54 4.021 7.346 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 54 1.147 7.106 -9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.431 5.094 -9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.029 5.079 -8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.151 6.717 -11.562 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.547 8.336 -10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.765 7.040 -10.884 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.788 3.447 -10.025 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.555 4.722 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.979 4.737 -11.236 1.00 0.00 H new ATOM 740 N GLN A 55 3.918 9.834 -8.250 1.00 0.00 N ATOM 741 CA GLN A 55 3.924 11.285 -8.306 1.00 0.00 C ATOM 742 C GLN A 55 4.587 11.768 -9.585 1.00 0.00 C ATOM 743 O GLN A 55 4.099 12.690 -10.238 1.00 0.00 O ATOM 744 CB GLN A 55 4.660 11.857 -7.094 1.00 0.00 C ATOM 745 CG GLN A 55 4.044 11.459 -5.763 1.00 0.00 C ATOM 746 CD GLN A 55 2.630 11.977 -5.596 1.00 0.00 C ATOM 747 OE1 GLN A 55 1.818 11.242 -4.853 1.00 0.00 O flip ATOM 748 NE2 GLN A 55 2.272 13.030 -6.124 1.00 0.00 N flip ATOM 0 H GLN A 55 4.815 9.422 -7.993 1.00 0.00 H new ATOM 0 HA GLN A 55 2.891 11.632 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.697 11.523 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.673 12.944 -7.168 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.041 10.372 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.664 11.840 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.930 13.567 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.317 13.366 -5.996 1.00 0.00 H new ATOM 862 N ASP A 64 -5.136 13.151 -10.370 1.00 0.00 N ATOM 863 CA ASP A 64 -5.188 12.300 -9.184 1.00 0.00 C ATOM 864 C ASP A 64 -4.065 11.272 -9.219 1.00 0.00 C ATOM 865 O ASP A 64 -3.684 10.791 -10.282 1.00 0.00 O ATOM 866 CB ASP A 64 -6.535 11.577 -9.089 1.00 0.00 C ATOM 867 CG ASP A 64 -7.717 12.525 -9.022 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.086 12.957 -7.910 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.287 12.845 -10.085 1.00 0.00 O ATOM 0 HA ASP A 64 -5.068 12.939 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.651 10.922 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.537 10.940 -8.204 1.00 0.00 H new ATOM 874 N LYS A 65 -3.562 10.922 -8.051 1.00 0.00 N ATOM 875 CA LYS A 65 -2.359 10.109 -7.945 1.00 0.00 C ATOM 876 C LYS A 65 -2.692 8.640 -7.786 1.00 0.00 C ATOM 877 O LYS A 65 -3.469 8.265 -6.908 1.00 0.00 O ATOM 878 CB LYS A 65 -1.516 10.576 -6.760 1.00 0.00 C ATOM 879 CG LYS A 65 -1.147 12.045 -6.846 1.00 0.00 C ATOM 880 CD LYS A 65 -0.383 12.337 -8.125 1.00 0.00 C ATOM 881 CE LYS A 65 -0.136 13.822 -8.301 1.00 0.00 C ATOM 882 NZ LYS A 65 0.592 14.103 -9.562 1.00 0.00 N ATOM 0 H LYS A 65 -3.969 11.189 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.794 10.230 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.066 10.397 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.605 9.979 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.050 12.654 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.541 12.323 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.570 11.809 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.944 11.957 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.088 14.353 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.439 14.200 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.746 15.128 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.510 13.615 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.031 13.764 -10.370 1.00 0.00 H new ATOM 896 N PRO A 66 -2.111 7.795 -8.644 1.00 0.00 N ATOM 897 CA PRO A 66 -2.259 6.346 -8.558 1.00 0.00 C ATOM 898 C PRO A 66 -1.493 5.781 -7.370 1.00 0.00 C ATOM 899 O PRO A 66 -0.260 5.767 -7.356 1.00 0.00 O ATOM 900 CB PRO A 66 -1.661 5.828 -9.878 1.00 0.00 C ATOM 901 CG PRO A 66 -1.449 7.036 -10.726 1.00 0.00 C ATOM 902 CD PRO A 66 -1.267 8.183 -9.778 1.00 0.00 C ATOM 0 HA PRO A 66 -3.298 6.048 -8.416 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.722 5.303 -9.703 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.335 5.122 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.574 6.915 -11.364 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.302 7.205 -11.383 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.224 8.305 -9.485 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.587 9.128 -10.218 1.00 0.00 H new ATOM 910 N LEU A 67 -2.226 5.340 -6.367 1.00 0.00 N ATOM 911 CA LEU A 67 -1.624 4.748 -5.190 1.00 0.00 C ATOM 912 C LEU A 67 -1.831 3.246 -5.206 1.00 0.00 C ATOM 913 O LEU A 67 -2.911 2.763 -4.881 1.00 0.00 O ATOM 914 CB LEU A 67 -2.224 5.357 -3.918 1.00 0.00 C ATOM 915 CG LEU A 67 -1.888 4.622 -2.616 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.386 4.524 -2.414 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.535 5.322 -1.434 1.00 0.00 C ATOM 0 H LEU A 67 -3.245 5.381 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.554 4.957 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.881 6.388 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.308 5.390 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.285 3.609 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.178 3.998 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.058 3.978 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.041 5.526 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.288 4.789 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.165 6.345 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.617 5.335 -1.566 1.00 0.00 H new ATOM 929 N ARG A 68 -0.805 2.513 -5.614 1.00 0.00 N ATOM 930 CA ARG A 68 -0.877 1.064 -5.600 1.00 0.00 C ATOM 931 C ARG A 68 -0.487 0.532 -4.233 1.00 0.00 C ATOM 932 O ARG A 68 0.686 0.551 -3.857 1.00 0.00 O ATOM 933 CB ARG A 68 0.023 0.438 -6.676 1.00 0.00 C ATOM 934 CG ARG A 68 -0.557 0.514 -8.075 1.00 0.00 C ATOM 935 CD ARG A 68 0.315 -0.193 -9.098 1.00 0.00 C ATOM 936 NE ARG A 68 -0.306 -0.177 -10.425 1.00 0.00 N ATOM 937 CZ ARG A 68 0.287 -0.605 -11.541 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.551 -1.013 -11.516 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.379 -0.601 -12.687 1.00 0.00 N ATOM 0 H ARG A 68 0.077 2.895 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.908 0.786 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.990 0.940 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.204 -0.607 -6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.552 0.068 -8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.675 1.559 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.291 0.291 -9.144 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.484 -1.223 -8.785 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.256 0.186 -10.501 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.074 -1.000 -10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.999 -1.339 -12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.344 -0.271 -12.715 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.073 -0.928 -13.541 1.00 0.00 H new ATOM 953 N ILE A 69 -1.481 0.099 -3.481 1.00 0.00 N ATOM 954 CA ILE A 69 -1.242 -0.599 -2.236 1.00 0.00 C ATOM 955 C ILE A 69 -1.211 -2.087 -2.528 1.00 0.00 C ATOM 956 O ILE A 69 -2.247 -2.701 -2.789 1.00 0.00 O ATOM 957 CB ILE A 69 -2.333 -0.296 -1.196 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.551 1.213 -1.092 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.940 -0.877 0.156 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.805 1.587 -0.343 1.00 0.00 C ATOM 0 H ILE A 69 -2.467 0.220 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.293 -0.264 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.268 -0.759 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.692 1.663 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.596 1.636 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.719 -0.658 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.820 -1.957 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.000 -0.433 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.897 2.672 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.672 1.166 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.753 1.193 0.672 1.00 0.00 H new ATOM 972 N ILE A 70 -0.023 -2.651 -2.525 1.00 0.00 N ATOM 973 CA ILE A 70 0.168 -4.016 -2.967 1.00 0.00 C ATOM 974 C ILE A 70 0.540 -4.910 -1.795 1.00 0.00 C ATOM 975 O ILE A 70 1.433 -4.576 -1.013 1.00 0.00 O ATOM 976 CB ILE A 70 1.288 -4.093 -4.028 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.144 -2.959 -5.046 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.260 -5.441 -4.732 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.282 -2.887 -6.042 1.00 0.00 C ATOM 0 H ILE A 70 0.830 -2.183 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.771 -4.358 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 70 2.248 -3.984 -3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.207 -3.086 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.079 -2.010 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.055 -5.479 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.408 -6.236 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.296 -5.575 -5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.111 -2.060 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.221 -2.729 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.335 -3.821 -6.602 1.00 0.00 H new ATOM 991 N GLY A 71 -0.164 -6.023 -1.654 1.00 0.00 N ATOM 992 CA GLY A 71 0.246 -7.014 -0.691 1.00 0.00 C ATOM 993 C GLY A 71 -0.905 -7.789 -0.082 1.00 0.00 C ATOM 994 O GLY A 71 -1.722 -8.379 -0.788 1.00 0.00 O ATOM 0 H GLY A 71 -1.004 -6.253 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.929 -7.714 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.803 -6.523 0.107 1.00 0.00 H new ATOM 998 N ASP A 72 -0.963 -7.766 1.238 1.00 0.00 N ATOM 999 CA ASP A 72 -1.890 -8.591 1.999 1.00 0.00 C ATOM 1000 C ASP A 72 -3.252 -7.923 2.141 1.00 0.00 C ATOM 1001 O ASP A 72 -3.351 -6.769 2.554 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.288 -8.866 3.374 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.270 -9.446 4.360 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -2.395 -10.676 4.419 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -2.882 -8.662 5.114 1.00 0.00 O ATOM 0 H ASP A 72 -0.367 -7.173 1.816 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.046 -9.528 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.449 -9.553 3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.887 -7.936 3.778 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.315 -8.680 1.798 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.708 -8.204 1.774 1.00 0.00 C ATOM 1012 C PRO A 73 -6.116 -7.390 2.999 1.00 0.00 C ATOM 1013 O PRO A 73 -6.923 -6.469 2.885 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.515 -9.500 1.718 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.634 -10.455 0.997 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.224 -10.095 1.381 1.00 0.00 C ATOM 0 HA PRO A 73 -5.869 -7.522 0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.757 -9.860 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.460 -9.357 1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.863 -11.483 1.276 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.776 -10.378 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.858 -10.726 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.538 -10.221 0.543 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.568 -7.727 4.162 1.00 0.00 N ATOM 1025 CA TYR A 74 -5.912 -7.024 5.388 1.00 0.00 C ATOM 1026 C TYR A 74 -5.244 -5.660 5.416 1.00 0.00 C ATOM 1027 O TYR A 74 -5.913 -4.624 5.448 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.478 -7.813 6.627 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.113 -9.177 6.768 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.425 -9.314 7.205 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.391 -10.328 6.493 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.998 -10.563 7.357 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.957 -11.577 6.636 1.00 0.00 C ATOM 1034 CZ TYR A 74 -7.260 -11.691 7.073 1.00 0.00 C ATOM 1035 OH TYR A 74 -7.818 -12.938 7.231 1.00 0.00 O ATOM 0 H TYR A 74 -4.888 -8.478 4.279 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.996 -6.910 5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.395 -7.933 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.713 -7.226 7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.006 -8.432 7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.367 -10.245 6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.019 -10.654 7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.382 -12.462 6.407 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.162 -13.623 6.986 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.918 -5.667 5.381 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.144 -4.442 5.534 1.00 0.00 C ATOM 1047 C LYS A 75 -3.194 -3.560 4.294 1.00 0.00 C ATOM 1048 O LYS A 75 -2.872 -2.383 4.374 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.700 -4.734 5.961 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.196 -6.120 5.603 1.00 0.00 C ATOM 1051 CD LYS A 75 -0.025 -6.515 6.492 1.00 0.00 C ATOM 1052 CE LYS A 75 0.267 -8.007 6.440 1.00 0.00 C ATOM 1053 NZ LYS A 75 -0.862 -8.822 6.972 1.00 0.00 N ATOM 0 H LYS A 75 -3.356 -6.508 5.248 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.617 -3.876 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.044 -3.995 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.622 -4.602 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.003 -6.845 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.888 -6.141 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.863 -5.963 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.240 -6.225 7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.470 -8.300 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.168 -8.219 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.677 -9.830 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.953 -8.663 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.745 -8.543 6.499 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.597 -4.111 3.155 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.867 -3.282 1.984 1.00 0.00 C ATOM 1069 C VAL A 76 -5.053 -2.370 2.268 1.00 0.00 C ATOM 1070 O VAL A 76 -5.015 -1.167 2.007 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.154 -4.137 0.728 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.773 -3.301 -0.385 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.875 -4.786 0.239 1.00 0.00 C ATOM 0 H VAL A 76 -3.742 -5.111 3.017 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.977 -2.686 1.783 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.870 -4.911 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.962 -3.933 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.713 -2.871 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.088 -2.500 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.087 -5.386 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.148 -4.014 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.469 -5.426 1.023 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.082 -2.950 2.864 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.300 -2.235 3.174 1.00 0.00 C ATOM 1085 C GLN A 77 -7.052 -1.320 4.366 1.00 0.00 C ATOM 1086 O GLN A 77 -7.449 -0.154 4.366 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.409 -3.253 3.457 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.819 -2.707 3.337 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.321 -2.043 4.607 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.882 -2.702 5.482 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.148 -0.737 4.705 1.00 0.00 N ATOM 0 H GLN A 77 -6.092 -3.931 3.145 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.613 -1.613 2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.299 -4.090 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.272 -3.648 4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.852 -1.985 2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.494 -3.520 3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.678 -0.227 3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.485 -0.238 5.529 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.354 -1.856 5.364 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.944 -1.083 6.533 1.00 0.00 C ATOM 1102 C GLN A 78 -5.125 0.132 6.114 1.00 0.00 C ATOM 1103 O GLN A 78 -5.223 1.202 6.714 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.122 -1.958 7.477 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.945 -2.998 8.220 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.093 -4.090 8.842 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -3.935 -3.873 9.196 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -5.669 -5.272 8.992 1.00 0.00 N ATOM 0 H GLN A 78 -6.058 -2.832 5.386 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.840 -0.739 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.345 -2.464 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.618 -1.320 8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.524 -2.506 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.659 -3.449 7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.632 -5.413 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.150 -6.042 9.414 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.319 -0.050 5.076 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.507 1.023 4.530 1.00 0.00 C ATOM 1119 C ALA A 79 -4.377 2.078 3.866 1.00 0.00 C ATOM 1120 O ALA A 79 -4.178 3.273 4.068 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.507 0.469 3.531 1.00 0.00 C ATOM 0 H ALA A 79 -4.212 -0.942 4.593 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.966 1.492 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.905 1.284 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.857 -0.252 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.040 -0.023 2.718 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.345 1.619 3.075 1.00 0.00 N ATOM 1128 CA CYS A 80 -6.283 2.505 2.392 1.00 0.00 C ATOM 1129 C CYS A 80 -6.978 3.425 3.379 1.00 0.00 C ATOM 1130 O CYS A 80 -6.897 4.647 3.258 1.00 0.00 O ATOM 1131 CB CYS A 80 -7.320 1.681 1.624 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.658 2.647 0.885 1.00 0.00 S ATOM 0 H CYS A 80 -5.500 0.628 2.891 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.721 3.120 1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.812 1.127 0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.753 0.945 2.301 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.474 1.851 0.260 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.637 2.843 4.373 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.361 3.640 5.355 1.00 0.00 C ATOM 1140 C GLU A 81 -7.403 4.528 6.149 1.00 0.00 C ATOM 1141 O GLU A 81 -7.776 5.605 6.605 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.186 2.746 6.291 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.400 1.614 6.932 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.243 0.799 7.889 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.936 -0.134 7.435 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.219 1.083 9.102 1.00 0.00 O ATOM 0 H GLU A 81 -7.685 1.835 4.520 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.053 4.288 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.616 3.365 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.018 2.322 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.006 0.962 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.544 2.026 7.466 1.00 0.00 H new ATOM 1153 N MET A 82 -6.155 4.089 6.266 1.00 0.00 N ATOM 1154 CA MET A 82 -5.136 4.838 6.994 1.00 0.00 C ATOM 1155 C MET A 82 -4.678 6.065 6.209 1.00 0.00 C ATOM 1156 O MET A 82 -4.649 7.173 6.745 1.00 0.00 O ATOM 1157 CB MET A 82 -3.936 3.941 7.310 1.00 0.00 C ATOM 1158 CG MET A 82 -2.815 4.647 8.058 1.00 0.00 C ATOM 1159 SD MET A 82 -1.478 3.527 8.522 1.00 0.00 S ATOM 1160 CE MET A 82 -1.025 2.848 6.928 1.00 0.00 C ATOM 0 H MET A 82 -5.823 3.213 5.863 1.00 0.00 H new ATOM 0 HA MET A 82 -5.582 5.180 7.928 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.276 3.092 7.903 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.540 3.540 6.377 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.414 5.447 7.435 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.220 5.115 8.955 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.061 2.825 6.838 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.418 1.835 6.839 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.442 3.470 6.136 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.337 5.874 4.937 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.797 6.963 4.130 1.00 0.00 C ATOM 1172 C VAL A 83 -4.907 7.913 3.701 1.00 0.00 C ATOM 1173 O VAL A 83 -4.695 9.119 3.584 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.031 6.449 2.885 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.849 5.589 3.302 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.950 5.673 1.949 1.00 0.00 C ATOM 0 H VAL A 83 -4.424 4.984 4.447 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.084 7.498 4.757 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.657 7.318 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.324 5.237 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.169 6.179 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.206 4.733 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.382 5.326 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.367 4.815 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.759 6.321 1.614 1.00 0.00 H new ATOM 1186 N MET A 84 -6.096 7.363 3.489 1.00 0.00 N ATOM 1187 CA MET A 84 -7.252 8.168 3.138 1.00 0.00 C ATOM 1188 C MET A 84 -7.664 9.026 4.325 1.00 0.00 C ATOM 1189 O MET A 84 -8.149 10.145 4.158 1.00 0.00 O ATOM 1190 CB MET A 84 -8.412 7.270 2.700 1.00 0.00 C ATOM 1191 CG MET A 84 -9.641 8.037 2.248 1.00 0.00 C ATOM 1192 SD MET A 84 -10.959 6.954 1.662 1.00 0.00 S ATOM 1193 CE MET A 84 -10.116 6.083 0.343 1.00 0.00 C ATOM 0 H MET A 84 -6.282 6.362 3.555 1.00 0.00 H new ATOM 0 HA MET A 84 -6.989 8.821 2.306 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.075 6.628 1.886 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.687 6.617 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.013 8.640 3.076 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.362 8.727 1.452 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.831 5.465 -0.200 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.667 6.804 -0.340 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.337 5.449 0.766 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.438 8.503 5.525 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.757 9.231 6.752 1.00 0.00 C ATOM 1205 C ASP A 85 -6.937 10.506 6.861 1.00 0.00 C ATOM 1206 O ASP A 85 -7.452 11.551 7.252 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.528 8.360 7.987 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.691 9.128 9.284 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -8.800 9.644 9.547 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -6.707 9.217 10.051 1.00 0.00 O ATOM 0 H ASP A 85 -7.035 7.578 5.676 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.813 9.497 6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.229 7.526 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.525 7.934 7.945 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.667 10.415 6.486 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.766 11.565 6.523 1.00 0.00 C ATOM 1217 C ILE A 86 -5.277 12.673 5.604 1.00 0.00 C ATOM 1218 O ILE A 86 -5.075 13.859 5.864 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.336 11.167 6.092 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.869 9.940 6.881 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.371 12.328 6.296 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.502 9.433 6.470 1.00 0.00 C ATOM 0 H ILE A 86 -5.234 9.554 6.151 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.737 11.927 7.551 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.351 10.917 5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.850 10.188 7.942 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.597 9.139 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.370 12.028 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.695 13.180 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.357 12.608 7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.240 8.563 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.519 9.153 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.761 10.218 6.624 1.00 0.00 H new ATOM 1234 N LEU A 87 -5.967 12.271 4.544 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.470 13.208 3.550 1.00 0.00 C ATOM 1236 C LEU A 87 -7.742 13.903 4.033 1.00 0.00 C ATOM 1237 O LEU A 87 -8.096 14.973 3.538 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.739 12.481 2.230 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.552 11.703 1.658 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.918 11.090 0.318 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.332 12.602 1.521 1.00 0.00 C ATOM 0 H LEU A 87 -6.192 11.295 4.351 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.708 13.971 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.568 11.789 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.063 13.213 1.490 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.303 10.899 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.063 10.540 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.760 10.409 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.194 11.880 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.501 12.027 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.564 13.431 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.056 12.993 2.500 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.422 13.298 4.999 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.653 13.869 5.535 1.00 0.00 C ATOM 1255 C ARG A 88 -9.503 14.193 7.017 1.00 0.00 C ATOM 1256 O ARG A 88 -10.480 14.205 7.770 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.854 12.936 5.277 1.00 0.00 C ATOM 1258 CG ARG A 88 -10.616 11.461 5.600 1.00 0.00 C ATOM 1259 CD ARG A 88 -10.687 11.168 7.092 1.00 0.00 C ATOM 1260 NE ARG A 88 -12.012 11.409 7.648 1.00 0.00 N ATOM 1261 CZ ARG A 88 -12.317 11.207 8.926 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -11.387 10.768 9.767 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -13.552 11.429 9.363 1.00 0.00 N ATOM 0 H ARG A 88 -8.144 12.415 5.427 1.00 0.00 H new ATOM 0 HA ARG A 88 -9.848 14.805 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.700 13.288 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.140 13.020 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.357 10.855 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.638 11.164 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.406 10.130 7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.959 11.788 7.615 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.743 11.750 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.441 10.587 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.619 10.612 10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.271 11.756 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.782 11.273 10.344 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.274 14.464 7.425 1.00 0.00 N ATOM 1278 CA GLU A 89 -7.978 14.800 8.807 1.00 0.00 C ATOM 1279 C GLU A 89 -7.694 16.292 8.936 1.00 0.00 C ATOM 1280 O GLU A 89 -8.293 16.945 9.815 1.00 0.00 O ATOM 1281 CB GLU A 89 -6.787 13.987 9.317 1.00 0.00 C ATOM 1282 CG GLU A 89 -6.410 14.306 10.755 1.00 0.00 C ATOM 1283 CD GLU A 89 -5.241 13.484 11.249 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -4.083 13.838 10.940 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -5.471 12.483 11.962 1.00 0.00 O ATOM 1286 OXT GLU A 89 -6.895 16.818 8.134 1.00 0.00 O ATOM 0 H GLU A 89 -7.459 14.457 6.812 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.848 14.553 9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.020 12.925 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.927 14.173 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.164 15.365 10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.271 14.129 11.400 1.00 0.00 H new