USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 22 THR OG1 : rot 180:sc= -0.331 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.376 K(o=-0.71,f=-2.6!) USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 1.05 USER MOD Set 2.2: A 77 THR OG1 : rot -155:sc= -0.711! USER MOD Single : A 21 MET CE :methyl -160:sc= 0 (180deg=-0.606) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 54:sc= 0.0357 USER MOD Single : A 43 MET CE :methyl -178:sc= -0.56 (180deg=-0.564) USER MOD Single : A 45 MET CE :methyl 157:sc= -0.809 (180deg=-3.61) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -6.17! C(o=-6.2!,f=-17!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -104:sc= -0.254 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.71 USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 0.00643 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 0.0621 (180deg=-0.112) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 76 HIS : no HD1:sc= -5.86! C(o=-5.9!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 2.351 8.779 2.478 1.00 0.00 N ATOM 175 CA GLY A 16 1.469 7.743 2.988 1.00 0.00 C ATOM 176 C GLY A 16 2.268 6.530 3.468 1.00 0.00 C ATOM 177 O GLY A 16 3.488 6.602 3.609 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.874 8.140 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.771 7.438 2.208 1.00 0.00 H new ATOM 181 N PRO A 17 1.529 5.415 3.712 1.00 0.00 N ATOM 182 CA PRO A 17 2.155 4.188 4.174 1.00 0.00 C ATOM 183 C PRO A 17 2.897 3.488 3.033 1.00 0.00 C ATOM 184 O PRO A 17 2.330 3.261 1.965 1.00 0.00 O ATOM 185 CB PRO A 17 1.018 3.355 4.741 1.00 0.00 C ATOM 186 CG PRO A 17 -0.258 3.940 4.160 1.00 0.00 C ATOM 187 CD PRO A 17 0.082 5.293 3.556 1.00 0.00 C ATOM 0 HA PRO A 17 2.918 4.365 4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.127 2.306 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.007 3.399 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.671 3.276 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.016 4.048 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.209 5.343 2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.441 6.099 4.070 1.00 0.00 H new ATOM 195 N LEU A 18 4.155 3.166 3.297 1.00 0.00 N ATOM 196 CA LEU A 18 4.980 2.497 2.306 1.00 0.00 C ATOM 197 C LEU A 18 4.860 0.983 2.487 1.00 0.00 C ATOM 198 O LEU A 18 4.970 0.477 3.603 1.00 0.00 O ATOM 199 CB LEU A 18 6.420 3.012 2.372 1.00 0.00 C ATOM 200 CG LEU A 18 6.597 4.526 2.245 1.00 0.00 C ATOM 201 CD1 LEU A 18 8.048 4.883 1.916 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.617 5.109 1.224 1.00 0.00 C ATOM 0 H LEU A 18 4.623 3.356 4.183 1.00 0.00 H new ATOM 0 HA LEU A 18 4.629 2.727 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.856 2.693 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.993 2.531 1.579 1.00 0.00 H new ATOM 0 HG LEU A 18 6.365 4.979 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.146 5.965 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.701 4.521 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.332 4.418 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.764 6.187 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.793 4.654 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.595 4.902 1.542 1.00 0.00 H new ATOM 214 N ALA A 19 4.637 0.301 1.373 1.00 0.00 N ATOM 215 CA ALA A 19 4.501 -1.145 1.395 1.00 0.00 C ATOM 216 C ALA A 19 5.756 -1.762 2.014 1.00 0.00 C ATOM 217 O ALA A 19 6.860 -1.252 1.828 1.00 0.00 O ATOM 218 CB ALA A 19 4.240 -1.655 -0.024 1.00 0.00 C ATOM 0 H ALA A 19 4.547 0.724 0.449 1.00 0.00 H new ATOM 0 HA ALA A 19 3.651 -1.441 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.138 -2.740 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.322 -1.210 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.074 -1.379 -0.669 1.00 0.00 H new ATOM 224 N PRO A 20 5.540 -2.880 2.758 1.00 0.00 N ATOM 225 CA PRO A 20 6.641 -3.572 3.406 1.00 0.00 C ATOM 226 C PRO A 20 7.465 -4.365 2.389 1.00 0.00 C ATOM 227 O PRO A 20 8.667 -4.553 2.570 1.00 0.00 O ATOM 228 CB PRO A 20 5.987 -4.453 4.458 1.00 0.00 C ATOM 229 CG PRO A 20 4.528 -4.574 4.051 1.00 0.00 C ATOM 230 CD PRO A 20 4.247 -3.513 3.000 1.00 0.00 C ATOM 0 HA PRO A 20 7.355 -2.889 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.464 -5.432 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.080 -4.012 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.324 -5.568 3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.878 -4.437 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.846 -3.955 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.512 -2.790 3.354 1.00 0.00 H new ATOM 238 N MET A 21 6.785 -4.810 1.343 1.00 0.00 N ATOM 239 CA MET A 21 7.439 -5.578 0.297 1.00 0.00 C ATOM 240 C MET A 21 6.453 -5.939 -0.816 1.00 0.00 C ATOM 241 O MET A 21 5.241 -5.887 -0.617 1.00 0.00 O ATOM 242 CB MET A 21 8.025 -6.859 0.895 1.00 0.00 C ATOM 243 CG MET A 21 8.671 -7.725 -0.188 1.00 0.00 C ATOM 244 SD MET A 21 9.651 -9.013 0.563 1.00 0.00 S ATOM 245 CE MET A 21 11.072 -8.992 -0.517 1.00 0.00 C ATOM 0 H MET A 21 5.788 -4.654 1.197 1.00 0.00 H new ATOM 0 HA MET A 21 8.235 -4.969 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.766 -6.605 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.238 -7.424 1.396 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.900 -8.165 -0.821 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.298 -7.108 -0.832 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.610 -9.936 -0.429 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.744 -8.857 -1.548 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.731 -8.171 -0.235 1.00 0.00 H new ATOM 255 N THR A 22 7.011 -6.296 -1.964 1.00 0.00 N ATOM 256 CA THR A 22 6.196 -6.665 -3.109 1.00 0.00 C ATOM 257 C THR A 22 5.278 -7.837 -2.755 1.00 0.00 C ATOM 258 O THR A 22 5.742 -8.962 -2.576 1.00 0.00 O ATOM 259 CB THR A 22 7.134 -6.961 -4.281 1.00 0.00 C ATOM 260 OG1 THR A 22 7.713 -5.697 -4.591 1.00 0.00 O ATOM 261 CG2 THR A 22 6.378 -7.347 -5.553 1.00 0.00 C ATOM 0 H THR A 22 8.017 -6.337 -2.125 1.00 0.00 H new ATOM 0 HA THR A 22 5.533 -5.851 -3.401 1.00 0.00 H new ATOM 0 HB THR A 22 7.815 -7.766 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.337 -5.798 -5.340 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.091 -7.546 -6.353 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.783 -8.241 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.721 -6.529 -5.848 1.00 0.00 H new ATOM 269 N GLY A 23 3.992 -7.532 -2.664 1.00 0.00 N ATOM 270 CA GLY A 23 3.004 -8.546 -2.334 1.00 0.00 C ATOM 271 C GLY A 23 1.746 -8.385 -3.190 1.00 0.00 C ATOM 272 O GLY A 23 1.807 -7.844 -4.293 1.00 0.00 O ATOM 0 H GLY A 23 3.611 -6.598 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.429 -9.537 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.742 -8.473 -1.279 1.00 0.00 H new ATOM 276 N THR A 24 0.636 -8.864 -2.650 1.00 0.00 N ATOM 277 CA THR A 24 -0.634 -8.780 -3.350 1.00 0.00 C ATOM 278 C THR A 24 -1.722 -8.240 -2.420 1.00 0.00 C ATOM 279 O THR A 24 -1.858 -8.698 -1.286 1.00 0.00 O ATOM 280 CB THR A 24 -0.953 -10.164 -3.918 1.00 0.00 C ATOM 281 OG1 THR A 24 0.148 -10.450 -4.776 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.162 -10.148 -4.856 1.00 0.00 C ATOM 0 H THR A 24 0.590 -9.312 -1.735 1.00 0.00 H new ATOM 0 HA THR A 24 -0.581 -8.076 -4.180 1.00 0.00 H new ATOM 0 HB THR A 24 -1.139 -10.858 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.023 -11.332 -5.185 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.345 -11.155 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.040 -9.798 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.964 -9.479 -5.694 1.00 0.00 H new ATOM 290 N ILE A 25 -2.468 -7.272 -2.933 1.00 0.00 N ATOM 291 CA ILE A 25 -3.539 -6.665 -2.162 1.00 0.00 C ATOM 292 C ILE A 25 -4.714 -7.641 -2.071 1.00 0.00 C ATOM 293 O ILE A 25 -5.324 -7.979 -3.084 1.00 0.00 O ATOM 294 CB ILE A 25 -3.915 -5.303 -2.748 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.666 -4.479 -3.068 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.874 -4.552 -1.822 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.785 -4.316 -1.829 1.00 0.00 C ATOM 0 H ILE A 25 -2.352 -6.894 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.209 -6.468 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.440 -5.471 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.098 -4.966 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.959 -3.498 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.125 -3.587 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.784 -5.137 -1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.398 -4.396 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.904 -3.727 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.348 -3.807 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.474 -5.298 -1.472 1.00 0.00 H new ATOM 309 N GLU A 26 -4.995 -8.066 -0.848 1.00 0.00 N ATOM 310 CA GLU A 26 -6.086 -8.997 -0.612 1.00 0.00 C ATOM 311 C GLU A 26 -7.383 -8.235 -0.332 1.00 0.00 C ATOM 312 O GLU A 26 -8.400 -8.476 -0.979 1.00 0.00 O ATOM 313 CB GLU A 26 -5.753 -9.952 0.536 1.00 0.00 C ATOM 314 CG GLU A 26 -6.957 -10.828 0.887 1.00 0.00 C ATOM 315 CD GLU A 26 -7.166 -11.920 -0.164 1.00 0.00 C ATOM 316 OE1 GLU A 26 -7.292 -11.548 -1.351 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.195 -13.101 0.242 1.00 0.00 O ATOM 0 H GLU A 26 -4.487 -7.783 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.227 -9.597 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.909 -10.583 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.447 -9.380 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.806 -11.284 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.852 -10.210 0.958 1.00 0.00 H new ATOM 324 N LYS A 27 -7.304 -7.331 0.633 1.00 0.00 N ATOM 325 CA LYS A 27 -8.459 -6.532 1.006 1.00 0.00 C ATOM 326 C LYS A 27 -8.054 -5.058 1.074 1.00 0.00 C ATOM 327 O LYS A 27 -6.886 -4.741 1.294 1.00 0.00 O ATOM 328 CB LYS A 27 -9.079 -7.059 2.302 1.00 0.00 C ATOM 329 CG LYS A 27 -10.095 -8.166 2.012 1.00 0.00 C ATOM 330 CD LYS A 27 -11.466 -7.578 1.676 1.00 0.00 C ATOM 331 CE LYS A 27 -11.982 -8.116 0.340 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.453 -7.977 0.258 1.00 0.00 N ATOM 0 H LYS A 27 -6.458 -7.134 1.168 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.239 -6.614 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.295 -7.442 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.567 -6.243 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.744 -8.778 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.179 -8.823 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.174 -7.822 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.398 -6.491 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.513 -7.575 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.703 -9.164 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.786 -8.347 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.896 -8.513 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.712 -6.973 0.340 1.00 0.00 H new ATOM 346 N VAL A 28 -9.042 -4.196 0.882 1.00 0.00 N ATOM 347 CA VAL A 28 -8.803 -2.763 0.918 1.00 0.00 C ATOM 348 C VAL A 28 -9.920 -2.085 1.713 1.00 0.00 C ATOM 349 O VAL A 28 -11.013 -1.867 1.192 1.00 0.00 O ATOM 350 CB VAL A 28 -8.666 -2.219 -0.505 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.683 -0.689 -0.511 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.400 -2.756 -1.178 1.00 0.00 C ATOM 0 H VAL A 28 -10.010 -4.462 0.701 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.864 -2.545 1.426 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.524 -2.566 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.584 -0.328 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.624 -0.334 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.853 -0.314 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.327 -2.354 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.525 -2.453 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.445 -3.844 -1.223 1.00 0.00 H new ATOM 362 N PHE A 29 -9.607 -1.768 2.961 1.00 0.00 N ATOM 363 CA PHE A 29 -10.571 -1.119 3.832 1.00 0.00 C ATOM 364 C PHE A 29 -10.343 0.394 3.871 1.00 0.00 C ATOM 365 O PHE A 29 -10.263 0.986 4.946 1.00 0.00 O ATOM 366 CB PHE A 29 -10.362 -1.690 5.236 1.00 0.00 C ATOM 367 CG PHE A 29 -10.407 -3.218 5.299 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.469 -3.889 4.776 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.387 -3.906 5.878 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.511 -5.307 4.835 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.429 -5.324 5.937 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.491 -5.994 5.414 1.00 0.00 C ATOM 0 H PHE A 29 -8.699 -1.949 3.389 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.582 -1.298 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.399 -1.349 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.127 -1.286 5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.280 -3.343 4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.544 -3.373 6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.354 -5.840 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.619 -5.870 6.397 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.524 -7.073 5.459 1.00 0.00 H new ATOM 382 N VAL A 30 -10.246 0.976 2.685 1.00 0.00 N ATOM 383 CA VAL A 30 -10.029 2.408 2.569 1.00 0.00 C ATOM 384 C VAL A 30 -10.691 2.918 1.288 1.00 0.00 C ATOM 385 O VAL A 30 -11.328 2.152 0.567 1.00 0.00 O ATOM 386 CB VAL A 30 -8.531 2.717 2.633 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.941 2.293 3.979 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.785 2.054 1.473 1.00 0.00 C ATOM 0 H VAL A 30 -10.314 0.482 1.795 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.492 2.933 3.404 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.406 3.796 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.876 2.524 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.443 2.832 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.083 1.221 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.723 2.289 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.921 0.974 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.179 2.426 0.527 1.00 0.00 H new ATOM 398 N LYS A 31 -10.516 4.208 1.043 1.00 0.00 N ATOM 399 CA LYS A 31 -11.089 4.830 -0.139 1.00 0.00 C ATOM 400 C LYS A 31 -10.808 6.333 -0.106 1.00 0.00 C ATOM 401 O LYS A 31 -10.394 6.869 0.921 1.00 0.00 O ATOM 402 CB LYS A 31 -12.574 4.484 -0.260 1.00 0.00 C ATOM 403 CG LYS A 31 -13.301 4.715 1.066 1.00 0.00 C ATOM 404 CD LYS A 31 -14.055 6.047 1.053 1.00 0.00 C ATOM 405 CE LYS A 31 -15.325 5.950 0.205 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.528 6.047 1.061 1.00 0.00 N ATOM 0 H LYS A 31 -9.986 4.840 1.643 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.620 4.438 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.031 5.093 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.685 3.443 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.000 3.899 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.582 4.708 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.315 6.332 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.409 6.831 0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.335 6.747 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.334 5.006 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.381 5.979 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.525 5.271 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.525 6.959 1.562 1.00 0.00 H new ATOM 420 N ALA A 32 -11.046 6.973 -1.242 1.00 0.00 N ATOM 421 CA ALA A 32 -10.824 8.404 -1.356 1.00 0.00 C ATOM 422 C ALA A 32 -11.869 9.146 -0.520 1.00 0.00 C ATOM 423 O ALA A 32 -13.011 8.703 -0.412 1.00 0.00 O ATOM 424 CB ALA A 32 -10.862 8.811 -2.831 1.00 0.00 C ATOM 0 H ALA A 32 -11.391 6.526 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.841 8.672 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.695 9.885 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.082 8.278 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.835 8.560 -3.253 1.00 0.00 H new ATOM 430 N GLY A 33 -11.440 10.262 0.051 1.00 0.00 N ATOM 431 CA GLY A 33 -12.324 11.069 0.874 1.00 0.00 C ATOM 432 C GLY A 33 -12.805 10.283 2.095 1.00 0.00 C ATOM 433 O GLY A 33 -13.819 10.629 2.700 1.00 0.00 O ATOM 0 H GLY A 33 -10.492 10.626 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.803 11.970 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.182 11.392 0.284 1.00 0.00 H new ATOM 437 N ASP A 34 -12.055 9.241 2.422 1.00 0.00 N ATOM 438 CA ASP A 34 -12.393 8.403 3.560 1.00 0.00 C ATOM 439 C ASP A 34 -11.661 8.917 4.801 1.00 0.00 C ATOM 440 O ASP A 34 -10.765 9.754 4.696 1.00 0.00 O ATOM 441 CB ASP A 34 -11.964 6.954 3.324 1.00 0.00 C ATOM 442 CG ASP A 34 -12.697 5.915 4.175 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.841 6.217 4.578 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.097 4.843 4.403 1.00 0.00 O ATOM 0 H ASP A 34 -11.214 8.958 1.919 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.474 8.441 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.116 6.713 2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.895 6.871 3.518 1.00 0.00 H new ATOM 449 N LYS A 35 -12.068 8.395 5.948 1.00 0.00 N ATOM 450 CA LYS A 35 -11.462 8.790 7.208 1.00 0.00 C ATOM 451 C LYS A 35 -10.919 7.549 7.920 1.00 0.00 C ATOM 452 O LYS A 35 -11.607 6.534 8.017 1.00 0.00 O ATOM 453 CB LYS A 35 -12.453 9.597 8.049 1.00 0.00 C ATOM 454 CG LYS A 35 -13.153 10.661 7.202 1.00 0.00 C ATOM 455 CD LYS A 35 -12.264 11.893 7.023 1.00 0.00 C ATOM 456 CE LYS A 35 -13.107 13.151 6.805 1.00 0.00 C ATOM 457 NZ LYS A 35 -12.935 14.092 7.935 1.00 0.00 N ATOM 0 H LYS A 35 -12.811 7.701 6.031 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.615 9.453 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.195 8.928 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.929 10.074 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.406 10.246 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.090 10.951 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.633 12.022 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.598 11.745 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.815 13.635 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.158 12.879 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.514 14.940 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.236 13.633 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.934 14.365 8.010 1.00 0.00 H new ATOM 471 N VAL A 36 -9.690 7.671 8.398 1.00 0.00 N ATOM 472 CA VAL A 36 -9.047 6.572 9.098 1.00 0.00 C ATOM 473 C VAL A 36 -8.454 7.086 10.411 1.00 0.00 C ATOM 474 O VAL A 36 -8.517 8.281 10.699 1.00 0.00 O ATOM 475 CB VAL A 36 -8.006 5.912 8.191 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.681 5.083 7.096 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.064 6.955 7.587 1.00 0.00 C ATOM 0 H VAL A 36 -9.122 8.514 8.314 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.776 5.802 9.350 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.408 5.236 8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.919 4.625 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.291 4.304 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.314 5.729 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.334 6.459 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.640 7.667 6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.545 7.483 8.387 1.00 0.00 H new ATOM 487 N LYS A 37 -7.893 6.159 11.173 1.00 0.00 N ATOM 488 CA LYS A 37 -7.290 6.504 12.450 1.00 0.00 C ATOM 489 C LYS A 37 -5.914 5.842 12.554 1.00 0.00 C ATOM 490 O LYS A 37 -5.767 4.657 12.256 1.00 0.00 O ATOM 491 CB LYS A 37 -8.232 6.148 13.601 1.00 0.00 C ATOM 492 CG LYS A 37 -9.457 7.065 13.611 1.00 0.00 C ATOM 493 CD LYS A 37 -9.607 7.765 14.963 1.00 0.00 C ATOM 494 CE LYS A 37 -11.049 7.676 15.468 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.356 8.817 16.360 1.00 0.00 N ATOM 0 H LYS A 37 -7.843 5.169 10.931 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.133 7.580 12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.551 5.110 13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.702 6.233 14.549 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.365 7.810 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.353 6.483 13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.934 7.309 15.690 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.314 8.811 14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.737 7.672 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.196 6.738 16.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.338 8.742 16.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.711 8.803 17.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.235 9.708 15.838 1.00 0.00 H new ATOM 509 N ALA A 38 -4.942 6.635 12.978 1.00 0.00 N ATOM 510 CA ALA A 38 -3.583 6.141 13.125 1.00 0.00 C ATOM 511 C ALA A 38 -3.620 4.725 13.703 1.00 0.00 C ATOM 512 O ALA A 38 -4.084 4.519 14.823 1.00 0.00 O ATOM 513 CB ALA A 38 -2.781 7.106 14.000 1.00 0.00 C ATOM 0 H ALA A 38 -5.068 7.617 13.225 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.086 6.089 12.156 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.762 6.736 14.110 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.761 8.090 13.532 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.248 7.181 14.982 1.00 0.00 H new ATOM 519 N GLY A 39 -3.125 3.784 12.911 1.00 0.00 N ATOM 520 CA GLY A 39 -3.096 2.393 13.330 1.00 0.00 C ATOM 521 C GLY A 39 -4.399 1.682 12.960 1.00 0.00 C ATOM 522 O GLY A 39 -4.835 0.772 13.664 1.00 0.00 O ATOM 0 H GLY A 39 -2.741 3.958 11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.254 1.885 12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.940 2.337 14.407 1.00 0.00 H new ATOM 526 N ASP A 40 -4.984 2.123 11.855 1.00 0.00 N ATOM 527 CA ASP A 40 -6.228 1.539 11.383 1.00 0.00 C ATOM 528 C ASP A 40 -5.928 0.556 10.250 1.00 0.00 C ATOM 529 O ASP A 40 -4.989 0.758 9.481 1.00 0.00 O ATOM 530 CB ASP A 40 -7.169 2.616 10.839 1.00 0.00 C ATOM 531 CG ASP A 40 -8.276 3.053 11.799 1.00 0.00 C ATOM 532 OD1 ASP A 40 -8.056 2.911 13.021 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.318 3.520 11.290 1.00 0.00 O ATOM 0 H ASP A 40 -4.619 2.878 11.274 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.704 1.034 12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.578 3.491 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.629 2.246 9.923 1.00 0.00 H new ATOM 538 N SER A 41 -6.742 -0.487 10.183 1.00 0.00 N ATOM 539 CA SER A 41 -6.576 -1.502 9.157 1.00 0.00 C ATOM 540 C SER A 41 -6.953 -0.929 7.789 1.00 0.00 C ATOM 541 O SER A 41 -8.098 -1.047 7.357 1.00 0.00 O ATOM 542 CB SER A 41 -7.420 -2.740 9.465 1.00 0.00 C ATOM 543 OG SER A 41 -8.703 -2.397 9.982 1.00 0.00 O ATOM 0 H SER A 41 -7.519 -0.651 10.823 1.00 0.00 H new ATOM 0 HA SER A 41 -5.529 -1.805 9.141 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.541 -3.331 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.895 -3.367 10.186 1.00 0.00 H new ATOM 0 HG SER A 41 -9.147 -1.774 9.369 1.00 0.00 H new ATOM 549 N LEU A 42 -5.967 -0.322 7.145 1.00 0.00 N ATOM 550 CA LEU A 42 -6.180 0.269 5.835 1.00 0.00 C ATOM 551 C LEU A 42 -6.500 -0.838 4.828 1.00 0.00 C ATOM 552 O LEU A 42 -7.622 -0.924 4.330 1.00 0.00 O ATOM 553 CB LEU A 42 -4.985 1.136 5.437 1.00 0.00 C ATOM 554 CG LEU A 42 -4.644 2.286 6.387 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.365 3.000 5.948 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.823 3.253 6.522 1.00 0.00 C ATOM 0 H LEU A 42 -5.018 -0.227 7.506 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.038 0.941 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.109 0.493 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.177 1.553 4.448 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.455 1.867 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.146 3.813 6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.536 2.292 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.500 3.405 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.555 4.061 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.067 3.668 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.688 2.719 6.916 1.00 0.00 H new ATOM 568 N MET A 43 -5.494 -1.656 4.557 1.00 0.00 N ATOM 569 CA MET A 43 -5.654 -2.753 3.618 1.00 0.00 C ATOM 570 C MET A 43 -4.932 -4.008 4.113 1.00 0.00 C ATOM 571 O MET A 43 -4.269 -3.979 5.148 1.00 0.00 O ATOM 572 CB MET A 43 -5.091 -2.345 2.255 1.00 0.00 C ATOM 573 CG MET A 43 -5.757 -1.063 1.749 1.00 0.00 C ATOM 574 SD MET A 43 -4.559 0.258 1.675 1.00 0.00 S ATOM 575 CE MET A 43 -4.247 0.296 -0.083 1.00 0.00 C ATOM 0 H MET A 43 -4.565 -1.581 4.971 1.00 0.00 H new ATOM 0 HA MET A 43 -6.717 -2.978 3.530 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.014 -2.194 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.249 -3.149 1.537 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.186 -1.232 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.578 -0.784 2.410 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.489 1.048 -0.302 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.894 -0.682 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.168 0.545 -0.611 1.00 0.00 H new ATOM 585 N VAL A 44 -5.087 -5.080 3.350 1.00 0.00 N ATOM 586 CA VAL A 44 -4.458 -6.343 3.698 1.00 0.00 C ATOM 587 C VAL A 44 -3.640 -6.846 2.506 1.00 0.00 C ATOM 588 O VAL A 44 -4.177 -7.035 1.416 1.00 0.00 O ATOM 589 CB VAL A 44 -5.517 -7.345 4.161 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.923 -8.748 4.298 1.00 0.00 C ATOM 591 CG2 VAL A 44 -6.163 -6.893 5.473 1.00 0.00 C ATOM 0 H VAL A 44 -5.639 -5.100 2.492 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.769 -6.209 4.532 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.296 -7.384 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.697 -9.440 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.533 -9.074 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.115 -8.731 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.912 -7.623 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.398 -6.811 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.639 -5.923 5.329 1.00 0.00 H new ATOM 601 N MET A 45 -2.355 -7.050 2.755 1.00 0.00 N ATOM 602 CA MET A 45 -1.458 -7.527 1.717 1.00 0.00 C ATOM 603 C MET A 45 -1.101 -8.999 1.935 1.00 0.00 C ATOM 604 O MET A 45 -1.399 -9.565 2.986 1.00 0.00 O ATOM 605 CB MET A 45 -0.180 -6.686 1.719 1.00 0.00 C ATOM 606 CG MET A 45 -0.372 -5.395 0.922 1.00 0.00 C ATOM 607 SD MET A 45 1.162 -4.484 0.857 1.00 0.00 S ATOM 608 CE MET A 45 2.142 -5.597 -0.136 1.00 0.00 C ATOM 0 H MET A 45 -1.914 -6.893 3.661 1.00 0.00 H new ATOM 0 HA MET A 45 -1.963 -7.433 0.756 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.100 -6.446 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.640 -7.263 1.291 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.709 -5.628 -0.088 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.148 -4.785 1.384 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.950 -5.043 -0.613 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.562 -6.377 0.499 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.513 -6.052 -0.901 1.00 0.00 H new ATOM 618 N ILE A 46 -0.469 -9.578 0.924 1.00 0.00 N ATOM 619 CA ILE A 46 -0.068 -10.973 0.992 1.00 0.00 C ATOM 620 C ILE A 46 1.317 -11.132 0.362 1.00 0.00 C ATOM 621 O ILE A 46 1.447 -11.162 -0.860 1.00 0.00 O ATOM 622 CB ILE A 46 -1.137 -11.868 0.363 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.515 -11.584 0.965 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.754 -13.345 0.479 1.00 0.00 C ATOM 625 CD1 ILE A 46 -3.463 -12.765 0.746 1.00 0.00 C ATOM 0 H ILE A 46 -0.225 -9.106 0.053 1.00 0.00 H new ATOM 0 HA ILE A 46 0.015 -11.296 2.030 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.196 -11.633 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.416 -11.386 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.936 -10.686 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.531 -13.959 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.192 -13.517 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.650 -13.612 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.435 -12.537 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.579 -12.945 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.051 -13.655 1.221 1.00 0.00 H new ATOM 637 N ALA A 47 2.317 -11.231 1.226 1.00 0.00 N ATOM 638 CA ALA A 47 3.687 -11.387 0.770 1.00 0.00 C ATOM 639 C ALA A 47 4.346 -12.539 1.531 1.00 0.00 C ATOM 640 O ALA A 47 3.829 -12.988 2.553 1.00 0.00 O ATOM 641 CB ALA A 47 4.438 -10.066 0.947 1.00 0.00 C ATOM 0 H ALA A 47 2.205 -11.206 2.240 1.00 0.00 H new ATOM 0 HA ALA A 47 3.712 -11.636 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.466 -10.183 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.948 -9.288 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.436 -9.785 2.000 1.00 0.00 H new ATOM 647 N MET A 48 5.478 -12.983 1.005 1.00 0.00 N ATOM 648 CA MET A 48 6.212 -14.074 1.622 1.00 0.00 C ATOM 649 C MET A 48 5.294 -15.267 1.898 1.00 0.00 C ATOM 650 O MET A 48 5.576 -16.081 2.776 1.00 0.00 O ATOM 651 CB MET A 48 6.833 -13.593 2.936 1.00 0.00 C ATOM 652 CG MET A 48 8.289 -13.170 2.731 1.00 0.00 C ATOM 653 SD MET A 48 9.382 -14.345 3.515 1.00 0.00 S ATOM 654 CE MET A 48 9.387 -13.701 5.179 1.00 0.00 C ATOM 0 H MET A 48 5.905 -12.607 0.158 1.00 0.00 H new ATOM 0 HA MET A 48 6.995 -14.394 0.935 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.258 -12.754 3.328 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.783 -14.389 3.679 1.00 0.00 H new ATOM 0 HG2 MET A 48 8.512 -13.108 1.666 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.450 -12.176 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.026 -14.321 5.807 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.766 -12.679 5.173 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.372 -13.708 5.575 1.00 0.00 H new ATOM 664 N LYS A 49 4.215 -15.332 1.132 1.00 0.00 N ATOM 665 CA LYS A 49 3.254 -16.411 1.283 1.00 0.00 C ATOM 666 C LYS A 49 2.544 -16.271 2.631 1.00 0.00 C ATOM 667 O LYS A 49 1.939 -17.224 3.119 1.00 0.00 O ATOM 668 CB LYS A 49 3.936 -17.767 1.084 1.00 0.00 C ATOM 669 CG LYS A 49 4.399 -17.941 -0.363 1.00 0.00 C ATOM 670 CD LYS A 49 3.223 -18.290 -1.277 1.00 0.00 C ATOM 671 CE LYS A 49 3.712 -18.904 -2.591 1.00 0.00 C ATOM 672 NZ LYS A 49 2.568 -19.388 -3.395 1.00 0.00 N ATOM 0 H LYS A 49 3.985 -14.655 0.405 1.00 0.00 H new ATOM 0 HA LYS A 49 2.487 -16.349 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.791 -17.850 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.245 -18.568 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.873 -17.023 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.151 -18.728 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.559 -18.990 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.641 -17.392 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.275 -18.163 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.392 -19.730 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.918 -19.801 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.047 -20.111 -2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.934 -18.593 -3.610 1.00 0.00 H new ATOM 686 N MET A 50 2.641 -15.076 3.193 1.00 0.00 N ATOM 687 CA MET A 50 2.016 -14.799 4.475 1.00 0.00 C ATOM 688 C MET A 50 1.151 -13.539 4.402 1.00 0.00 C ATOM 689 O MET A 50 1.483 -12.594 3.689 1.00 0.00 O ATOM 690 CB MET A 50 3.097 -14.615 5.542 1.00 0.00 C ATOM 691 CG MET A 50 2.540 -13.889 6.768 1.00 0.00 C ATOM 692 SD MET A 50 1.367 -14.934 7.616 1.00 0.00 S ATOM 693 CE MET A 50 2.431 -15.649 8.858 1.00 0.00 C ATOM 0 H MET A 50 3.143 -14.288 2.784 1.00 0.00 H new ATOM 0 HA MET A 50 1.376 -15.642 4.736 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.490 -15.588 5.838 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.930 -14.048 5.127 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.353 -13.620 7.442 1.00 0.00 H new ATOM 0 HG3 MET A 50 2.058 -12.960 6.463 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.855 -16.333 9.481 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.241 -16.194 8.373 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.848 -14.857 9.479 1.00 0.00 H new ATOM 703 N GLU A 51 0.058 -13.566 5.151 1.00 0.00 N ATOM 704 CA GLU A 51 -0.858 -12.438 5.180 1.00 0.00 C ATOM 705 C GLU A 51 -0.289 -11.316 6.051 1.00 0.00 C ATOM 706 O GLU A 51 0.386 -11.578 7.045 1.00 0.00 O ATOM 707 CB GLU A 51 -2.241 -12.867 5.673 1.00 0.00 C ATOM 708 CG GLU A 51 -3.308 -12.607 4.608 1.00 0.00 C ATOM 709 CD GLU A 51 -4.713 -12.822 5.175 1.00 0.00 C ATOM 710 OE1 GLU A 51 -5.146 -13.994 5.188 1.00 0.00 O ATOM 711 OE2 GLU A 51 -5.321 -11.809 5.583 1.00 0.00 O ATOM 0 H GLU A 51 -0.214 -14.351 5.742 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.972 -12.061 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.227 -13.927 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.491 -12.323 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.214 -11.587 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.149 -13.272 3.759 1.00 0.00 H new ATOM 718 N HIS A 52 -0.583 -10.089 5.645 1.00 0.00 N ATOM 719 CA HIS A 52 -0.109 -8.926 6.375 1.00 0.00 C ATOM 720 C HIS A 52 -1.256 -7.930 6.553 1.00 0.00 C ATOM 721 O HIS A 52 -2.246 -7.980 5.824 1.00 0.00 O ATOM 722 CB HIS A 52 1.110 -8.310 5.685 1.00 0.00 C ATOM 723 CG HIS A 52 2.050 -9.324 5.080 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.504 -10.434 5.773 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.617 -9.386 3.841 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.307 -11.124 4.977 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.377 -10.473 3.781 1.00 0.00 N ATOM 0 H HIS A 52 -1.143 -9.876 4.820 1.00 0.00 H new ATOM 0 HA HIS A 52 0.223 -9.227 7.369 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.768 -7.634 4.901 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.659 -7.708 6.409 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.261 -10.679 6.733 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.472 -8.672 3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.817 -12.042 5.231 1.00 0.00 H new ATOM 735 N THR A 53 -1.086 -7.047 7.527 1.00 0.00 N ATOM 736 CA THR A 53 -2.095 -6.041 7.810 1.00 0.00 C ATOM 737 C THR A 53 -1.517 -4.637 7.616 1.00 0.00 C ATOM 738 O THR A 53 -0.709 -4.178 8.423 1.00 0.00 O ATOM 739 CB THR A 53 -2.628 -6.289 9.222 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.333 -7.523 9.115 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.703 -5.279 9.628 1.00 0.00 C ATOM 0 H THR A 53 -0.264 -7.008 8.130 1.00 0.00 H new ATOM 0 HA THR A 53 -2.931 -6.113 7.115 1.00 0.00 H new ATOM 0 HB THR A 53 -1.804 -6.247 9.934 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.711 -7.761 9.988 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.047 -5.500 10.638 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.286 -4.272 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.543 -5.344 8.936 1.00 0.00 H new ATOM 749 N ILE A 54 -1.953 -3.995 6.543 1.00 0.00 N ATOM 750 CA ILE A 54 -1.489 -2.653 6.234 1.00 0.00 C ATOM 751 C ILE A 54 -2.162 -1.655 7.178 1.00 0.00 C ATOM 752 O ILE A 54 -3.299 -1.246 6.946 1.00 0.00 O ATOM 753 CB ILE A 54 -1.704 -2.340 4.752 1.00 0.00 C ATOM 754 CG1 ILE A 54 -1.280 -3.519 3.874 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.992 -1.045 4.355 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.107 -4.028 4.273 1.00 0.00 C ATOM 0 H ILE A 54 -2.623 -4.379 5.876 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.415 -2.574 6.400 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.770 -2.184 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.008 -4.325 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.272 -3.214 2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.161 -0.846 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.384 -0.218 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.078 -1.147 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.385 -4.866 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.836 -3.226 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.089 -4.355 5.313 1.00 0.00 H new ATOM 768 N LYS A 55 -1.432 -1.291 8.221 1.00 0.00 N ATOM 769 CA LYS A 55 -1.944 -0.349 9.201 1.00 0.00 C ATOM 770 C LYS A 55 -1.610 1.076 8.756 1.00 0.00 C ATOM 771 O LYS A 55 -0.672 1.286 7.987 1.00 0.00 O ATOM 772 CB LYS A 55 -1.426 -0.694 10.599 1.00 0.00 C ATOM 773 CG LYS A 55 -2.129 -1.935 11.153 1.00 0.00 C ATOM 774 CD LYS A 55 -3.514 -1.583 11.698 1.00 0.00 C ATOM 775 CE LYS A 55 -4.246 -2.834 12.187 1.00 0.00 C ATOM 776 NZ LYS A 55 -4.785 -2.621 13.549 1.00 0.00 N ATOM 0 H LYS A 55 -0.489 -1.632 8.409 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.030 -0.418 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.351 -0.868 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.588 0.150 11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.223 -2.685 10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.524 -2.377 11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.416 -0.871 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.101 -1.095 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.058 -3.078 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.564 -3.684 12.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.279 -3.480 13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.004 -2.410 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.452 -1.823 13.538 1.00 0.00 H new ATOM 790 N SER A 56 -2.394 2.019 9.257 1.00 0.00 N ATOM 791 CA SER A 56 -2.193 3.418 8.921 1.00 0.00 C ATOM 792 C SER A 56 -1.050 3.998 9.756 1.00 0.00 C ATOM 793 O SER A 56 -0.960 3.739 10.955 1.00 0.00 O ATOM 794 CB SER A 56 -3.473 4.226 9.138 1.00 0.00 C ATOM 795 OG SER A 56 -3.555 5.344 8.258 1.00 0.00 O ATOM 0 H SER A 56 -3.171 1.841 9.894 1.00 0.00 H new ATOM 0 HA SER A 56 -1.931 3.482 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.339 3.581 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.511 4.574 10.170 1.00 0.00 H new ATOM 0 HG SER A 56 -3.354 6.166 8.753 1.00 0.00 H new ATOM 801 N PRO A 57 -0.184 4.792 9.072 1.00 0.00 N ATOM 802 CA PRO A 57 0.949 5.411 9.739 1.00 0.00 C ATOM 803 C PRO A 57 0.499 6.589 10.606 1.00 0.00 C ATOM 804 O PRO A 57 1.125 6.893 11.620 1.00 0.00 O ATOM 805 CB PRO A 57 1.888 5.824 8.617 1.00 0.00 C ATOM 806 CG PRO A 57 1.044 5.843 7.353 1.00 0.00 C ATOM 807 CD PRO A 57 -0.260 5.121 7.652 1.00 0.00 C ATOM 0 HA PRO A 57 1.450 4.735 10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.322 6.805 8.812 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.717 5.122 8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.849 6.869 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.572 5.354 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.121 5.754 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.364 4.223 7.043 1.00 0.00 H new ATOM 815 N LYS A 58 -0.582 7.221 10.174 1.00 0.00 N ATOM 816 CA LYS A 58 -1.124 8.358 10.898 1.00 0.00 C ATOM 817 C LYS A 58 -2.572 8.592 10.463 1.00 0.00 C ATOM 818 O LYS A 58 -3.035 8.000 9.489 1.00 0.00 O ATOM 819 CB LYS A 58 -0.224 9.583 10.721 1.00 0.00 C ATOM 820 CG LYS A 58 -0.176 10.021 9.256 1.00 0.00 C ATOM 821 CD LYS A 58 0.967 11.010 9.016 1.00 0.00 C ATOM 822 CE LYS A 58 1.536 10.860 7.604 1.00 0.00 C ATOM 823 NZ LYS A 58 2.766 10.038 7.626 1.00 0.00 N ATOM 0 H LYS A 58 -1.097 6.967 9.331 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.142 8.154 11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.594 10.402 11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.783 9.352 11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.047 9.148 8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.124 10.482 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.607 12.029 9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.756 10.844 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.794 10.397 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.756 11.843 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.139 9.946 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.478 10.495 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.546 9.094 8.003 1.00 0.00 H new ATOM 837 N ASP A 59 -3.247 9.455 11.207 1.00 0.00 N ATOM 838 CA ASP A 59 -4.634 9.774 10.911 1.00 0.00 C ATOM 839 C ASP A 59 -4.685 10.807 9.784 1.00 0.00 C ATOM 840 O ASP A 59 -3.785 11.636 9.654 1.00 0.00 O ATOM 841 CB ASP A 59 -5.334 10.373 12.133 1.00 0.00 C ATOM 842 CG ASP A 59 -4.479 11.332 12.963 1.00 0.00 C ATOM 843 OD1 ASP A 59 -4.511 12.541 12.644 1.00 0.00 O ATOM 844 OD2 ASP A 59 -3.814 10.836 13.898 1.00 0.00 O ATOM 0 H ASP A 59 -2.860 9.944 12.014 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.138 8.852 10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.226 10.902 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.669 9.559 12.776 1.00 0.00 H new ATOM 849 N GLY A 60 -5.748 10.724 8.996 1.00 0.00 N ATOM 850 CA GLY A 60 -5.929 11.641 7.884 1.00 0.00 C ATOM 851 C GLY A 60 -7.031 11.151 6.943 1.00 0.00 C ATOM 852 O GLY A 60 -7.450 9.997 7.020 1.00 0.00 O ATOM 0 H GLY A 60 -6.492 10.035 9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.183 12.631 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.993 11.740 7.334 1.00 0.00 H new ATOM 856 N THR A 61 -7.469 12.052 6.076 1.00 0.00 N ATOM 857 CA THR A 61 -8.514 11.726 5.121 1.00 0.00 C ATOM 858 C THR A 61 -7.907 11.135 3.847 1.00 0.00 C ATOM 859 O THR A 61 -7.291 11.850 3.059 1.00 0.00 O ATOM 860 CB THR A 61 -9.338 12.991 4.871 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.976 13.242 6.120 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.497 12.753 3.902 1.00 0.00 C ATOM 0 H THR A 61 -7.119 13.008 6.015 1.00 0.00 H new ATOM 0 HA THR A 61 -9.181 10.958 5.512 1.00 0.00 H new ATOM 0 HB THR A 61 -8.690 13.774 4.476 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.530 14.047 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.049 13.682 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.106 12.413 2.943 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.164 11.994 4.312 1.00 0.00 H new ATOM 870 N VAL A 62 -8.103 9.834 3.685 1.00 0.00 N ATOM 871 CA VAL A 62 -7.583 9.138 2.521 1.00 0.00 C ATOM 872 C VAL A 62 -7.892 9.954 1.264 1.00 0.00 C ATOM 873 O VAL A 62 -9.044 10.032 0.838 1.00 0.00 O ATOM 874 CB VAL A 62 -8.146 7.717 2.465 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.813 7.047 1.130 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.639 6.880 3.641 1.00 0.00 C ATOM 0 H VAL A 62 -8.615 9.244 4.341 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.499 9.041 2.587 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.231 7.783 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.225 6.038 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.246 7.626 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.731 6.999 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.054 5.874 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.551 6.826 3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.950 7.342 4.578 1.00 0.00 H new ATOM 886 N LYS A 63 -6.845 10.542 0.706 1.00 0.00 N ATOM 887 CA LYS A 63 -6.990 11.349 -0.494 1.00 0.00 C ATOM 888 C LYS A 63 -7.425 10.454 -1.656 1.00 0.00 C ATOM 889 O LYS A 63 -8.479 10.672 -2.252 1.00 0.00 O ATOM 890 CB LYS A 63 -5.707 12.135 -0.770 1.00 0.00 C ATOM 891 CG LYS A 63 -5.930 13.182 -1.864 1.00 0.00 C ATOM 892 CD LYS A 63 -4.721 14.111 -1.988 1.00 0.00 C ATOM 893 CE LYS A 63 -5.111 15.433 -2.652 1.00 0.00 C ATOM 894 NZ LYS A 63 -4.183 16.511 -2.246 1.00 0.00 N ATOM 0 H LYS A 63 -5.892 10.476 1.063 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.771 12.097 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.373 12.625 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.915 11.450 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.110 12.685 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.821 13.767 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.304 14.305 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.941 13.623 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.095 15.321 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.131 15.699 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.196 17.268 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.480 16.897 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.219 16.128 -2.166 1.00 0.00 H new ATOM 908 N LYS A 64 -6.592 9.465 -1.943 1.00 0.00 N ATOM 909 CA LYS A 64 -6.877 8.536 -3.023 1.00 0.00 C ATOM 910 C LYS A 64 -6.003 7.290 -2.863 1.00 0.00 C ATOM 911 O LYS A 64 -4.884 7.373 -2.359 1.00 0.00 O ATOM 912 CB LYS A 64 -6.719 9.226 -4.380 1.00 0.00 C ATOM 913 CG LYS A 64 -6.501 8.202 -5.495 1.00 0.00 C ATOM 914 CD LYS A 64 -5.010 7.921 -5.697 1.00 0.00 C ATOM 915 CE LYS A 64 -4.592 8.198 -7.142 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.872 9.488 -7.235 1.00 0.00 N ATOM 0 H LYS A 64 -5.719 9.287 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.915 8.207 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.607 9.820 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.876 9.916 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.019 7.275 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.934 8.573 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.424 8.542 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.794 6.883 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.954 7.392 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.473 8.219 -7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.407 9.560 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.547 10.271 -7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.155 9.540 -6.483 1.00 0.00 H new ATOM 930 N VAL A 65 -6.548 6.164 -3.300 1.00 0.00 N ATOM 931 CA VAL A 65 -5.832 4.903 -3.211 1.00 0.00 C ATOM 932 C VAL A 65 -5.129 4.625 -4.541 1.00 0.00 C ATOM 933 O VAL A 65 -5.687 4.879 -5.607 1.00 0.00 O ATOM 934 CB VAL A 65 -6.791 3.785 -2.797 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.022 2.552 -2.319 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.770 4.271 -1.726 1.00 0.00 C ATOM 0 H VAL A 65 -7.477 6.099 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.062 4.955 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.370 3.498 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.727 1.772 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.385 2.186 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.405 2.818 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.440 3.457 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.215 4.598 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.353 5.104 -2.118 1.00 0.00 H new ATOM 946 N PHE A 66 -3.913 4.108 -4.435 1.00 0.00 N ATOM 947 CA PHE A 66 -3.128 3.794 -5.616 1.00 0.00 C ATOM 948 C PHE A 66 -3.258 2.314 -5.983 1.00 0.00 C ATOM 949 O PHE A 66 -3.112 1.944 -7.147 1.00 0.00 O ATOM 950 CB PHE A 66 -1.668 4.096 -5.276 1.00 0.00 C ATOM 951 CG PHE A 66 -1.378 5.580 -5.038 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.618 6.486 -6.024 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.882 5.993 -3.841 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.349 7.862 -5.803 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.613 7.369 -3.621 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.853 8.275 -4.606 1.00 0.00 C ATOM 0 H PHE A 66 -3.453 3.899 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.479 4.383 -6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.390 3.534 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.035 3.738 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.013 6.158 -6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.693 5.274 -3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.538 8.581 -6.586 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.218 7.697 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.650 9.322 -4.438 1.00 0.00 H new ATOM 966 N TYR A 67 -3.531 1.508 -4.968 1.00 0.00 N ATOM 967 CA TYR A 67 -3.682 0.076 -5.169 1.00 0.00 C ATOM 968 C TYR A 67 -5.081 -0.390 -4.760 1.00 0.00 C ATOM 969 O TYR A 67 -5.691 0.182 -3.858 1.00 0.00 O ATOM 970 CB TYR A 67 -2.650 -0.589 -4.257 1.00 0.00 C ATOM 971 CG TYR A 67 -1.198 -0.297 -4.643 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.608 0.890 -4.259 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.480 -1.220 -5.375 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.758 1.165 -4.622 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.886 -0.945 -5.738 1.00 0.00 C ATOM 976 CZ TYR A 67 1.438 0.234 -5.344 1.00 0.00 C ATOM 977 OH TYR A 67 2.728 0.494 -5.687 1.00 0.00 O ATOM 0 H TYR A 67 -3.652 1.819 -4.004 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.540 -0.181 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.817 -0.255 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.809 -1.667 -4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.171 1.612 -3.686 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.942 -2.149 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.232 2.090 -4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.460 -1.659 -6.310 1.00 0.00 H new ATOM 0 HH TYR A 67 3.088 -0.259 -6.200 1.00 0.00 H new ATOM 987 N ARG A 68 -5.549 -1.423 -5.445 1.00 0.00 N ATOM 988 CA ARG A 68 -6.865 -1.973 -5.165 1.00 0.00 C ATOM 989 C ARG A 68 -6.765 -3.474 -4.888 1.00 0.00 C ATOM 990 O ARG A 68 -5.667 -4.021 -4.799 1.00 0.00 O ATOM 991 CB ARG A 68 -7.820 -1.739 -6.337 1.00 0.00 C ATOM 992 CG ARG A 68 -7.976 -0.245 -6.628 1.00 0.00 C ATOM 993 CD ARG A 68 -9.453 0.143 -6.723 1.00 0.00 C ATOM 994 NE ARG A 68 -9.608 1.336 -7.585 1.00 0.00 N ATOM 995 CZ ARG A 68 -10.751 1.678 -8.196 1.00 0.00 C ATOM 996 NH1 ARG A 68 -11.845 0.920 -8.044 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.799 2.778 -8.959 1.00 0.00 N ATOM 0 H ARG A 68 -5.040 -1.894 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.257 -1.464 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.444 -2.249 -7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.794 -2.172 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.494 0.335 -5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.470 0.002 -7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.030 -0.687 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.848 0.349 -5.728 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.794 1.935 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.808 0.082 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.715 1.181 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.966 3.355 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.669 3.039 -9.424 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.927 -4.098 -4.761 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.984 -5.526 -4.497 1.00 0.00 C ATOM 1013 C GLU A 69 -7.226 -6.297 -5.579 1.00 0.00 C ATOM 1014 O GLU A 69 -7.196 -5.882 -6.736 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.433 -6.007 -4.394 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.979 -5.802 -2.980 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.433 -6.268 -2.881 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.769 -7.235 -3.599 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -12.176 -5.648 -2.089 1.00 0.00 O ATOM 0 H GLU A 69 -8.836 -3.641 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.503 -5.718 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.052 -5.465 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.489 -7.063 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.367 -6.354 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.912 -4.748 -2.710 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.632 -7.406 -5.164 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.875 -8.239 -6.083 1.00 0.00 C ATOM 1028 C GLY A 70 -4.962 -7.389 -6.969 1.00 0.00 C ATOM 1029 O GLY A 70 -5.044 -7.454 -8.195 1.00 0.00 O ATOM 0 H GLY A 70 -6.660 -7.747 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.277 -8.956 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.560 -8.814 -6.706 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.113 -6.611 -6.314 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.186 -5.749 -7.027 1.00 0.00 C ATOM 1035 C ALA A 71 -1.752 -6.166 -6.696 1.00 0.00 C ATOM 1036 O ALA A 71 -1.526 -6.944 -5.771 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.467 -4.288 -6.667 1.00 0.00 C ATOM 0 H ALA A 71 -4.048 -6.560 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.318 -5.850 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.772 -3.641 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.489 -4.034 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.341 -4.147 -5.594 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.820 -5.629 -7.470 1.00 0.00 N ATOM 1044 CA GLN A 72 0.586 -5.936 -7.270 1.00 0.00 C ATOM 1045 C GLN A 72 1.296 -4.758 -6.599 1.00 0.00 C ATOM 1046 O GLN A 72 1.428 -3.688 -7.192 1.00 0.00 O ATOM 1047 CB GLN A 72 1.261 -6.301 -8.594 1.00 0.00 C ATOM 1048 CG GLN A 72 1.804 -7.731 -8.557 1.00 0.00 C ATOM 1049 CD GLN A 72 2.678 -8.018 -9.780 1.00 0.00 C ATOM 1050 OE1 GLN A 72 2.464 -7.498 -10.863 1.00 0.00 O ATOM 1051 NE2 GLN A 72 3.670 -8.871 -9.547 1.00 0.00 N ATOM 0 H GLN A 72 -1.011 -4.984 -8.236 1.00 0.00 H new ATOM 0 HA GLN A 72 0.659 -6.802 -6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.546 -6.201 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.075 -5.604 -8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.386 -7.879 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.975 -8.438 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.792 -9.269 -8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.309 -9.127 -10.299 1.00 0.00 H new ATOM 1060 N ALA A 73 1.735 -4.995 -5.372 1.00 0.00 N ATOM 1061 CA ALA A 73 2.429 -3.967 -4.614 1.00 0.00 C ATOM 1062 C ALA A 73 3.930 -4.060 -4.892 1.00 0.00 C ATOM 1063 O ALA A 73 4.409 -5.070 -5.405 1.00 0.00 O ATOM 1064 CB ALA A 73 2.100 -4.120 -3.127 1.00 0.00 C ATOM 0 H ALA A 73 1.624 -5.883 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 73 2.098 -2.975 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.620 -3.349 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.025 -4.016 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.420 -5.103 -2.783 1.00 0.00 H new ATOM 1070 N ASN A 74 4.632 -2.993 -4.540 1.00 0.00 N ATOM 1071 CA ASN A 74 6.069 -2.941 -4.745 1.00 0.00 C ATOM 1072 C ASN A 74 6.770 -2.824 -3.390 1.00 0.00 C ATOM 1073 O ASN A 74 6.124 -2.577 -2.372 1.00 0.00 O ATOM 1074 CB ASN A 74 6.463 -1.725 -5.586 1.00 0.00 C ATOM 1075 CG ASN A 74 6.734 -2.127 -7.038 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.031 -3.269 -7.347 1.00 0.00 O ATOM 1077 ND2 ASN A 74 6.615 -1.128 -7.907 1.00 0.00 N ATOM 0 H ASN A 74 4.232 -2.157 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 74 6.367 -3.851 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.666 -0.982 -5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.352 -1.258 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.775 -1.294 -8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.363 -0.195 -7.580 1.00 0.00 H new ATOM 1084 N ARG A 75 8.082 -3.008 -3.420 1.00 0.00 N ATOM 1085 CA ARG A 75 8.877 -2.926 -2.206 1.00 0.00 C ATOM 1086 C ARG A 75 9.219 -1.468 -1.893 1.00 0.00 C ATOM 1087 O ARG A 75 10.206 -0.936 -2.398 1.00 0.00 O ATOM 1088 CB ARG A 75 10.172 -3.729 -2.341 1.00 0.00 C ATOM 1089 CG ARG A 75 10.791 -4.007 -0.970 1.00 0.00 C ATOM 1090 CD ARG A 75 11.380 -5.417 -0.910 1.00 0.00 C ATOM 1091 NE ARG A 75 12.836 -5.369 -1.176 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.750 -4.973 -0.280 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.365 -4.589 0.945 1.00 0.00 N ATOM 1094 NH2 ARG A 75 15.049 -4.961 -0.608 1.00 0.00 N ATOM 0 H ARG A 75 8.614 -3.214 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 75 8.285 -3.346 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.968 -4.671 -2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.882 -3.180 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.571 -3.274 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.033 -3.892 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.195 -5.856 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.889 -6.057 -1.643 1.00 0.00 H new ATOM 0 HE ARG A 75 13.163 -5.655 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.376 -4.598 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.061 -4.288 1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.342 -5.253 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.745 -4.659 0.074 1.00 0.00 H new ATOM 1108 N HIS A 76 8.383 -0.863 -1.061 1.00 0.00 N ATOM 1109 CA HIS A 76 8.585 0.523 -0.674 1.00 0.00 C ATOM 1110 C HIS A 76 7.881 1.442 -1.674 1.00 0.00 C ATOM 1111 O HIS A 76 8.534 2.129 -2.457 1.00 0.00 O ATOM 1112 CB HIS A 76 10.076 0.835 -0.529 1.00 0.00 C ATOM 1113 CG HIS A 76 10.879 -0.281 0.094 1.00 0.00 C ATOM 1114 ND1 HIS A 76 12.235 -0.444 -0.131 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.505 -1.287 0.935 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.647 -1.504 0.549 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.573 -2.025 1.209 1.00 0.00 N ATOM 0 H HIS A 76 7.565 -1.307 -0.644 1.00 0.00 H new ATOM 0 HA HIS A 76 8.140 0.700 0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.487 1.059 -1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.191 1.734 0.077 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.508 -1.455 1.314 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.656 -1.888 0.576 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.588 -2.846 1.813 1.00 0.00 H new ATOM 1125 N THR A 77 6.557 1.425 -1.614 1.00 0.00 N ATOM 1126 CA THR A 77 5.757 2.249 -2.505 1.00 0.00 C ATOM 1127 C THR A 77 4.565 2.843 -1.754 1.00 0.00 C ATOM 1128 O THR A 77 4.105 2.277 -0.764 1.00 0.00 O ATOM 1129 CB THR A 77 5.353 1.391 -3.706 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.171 2.018 -4.197 1.00 0.00 O ATOM 1131 CG2 THR A 77 4.890 -0.009 -3.297 1.00 0.00 C ATOM 0 H THR A 77 6.019 0.854 -0.963 1.00 0.00 H new ATOM 0 HA THR A 77 6.326 3.102 -2.874 1.00 0.00 H new ATOM 0 HB THR A 77 6.195 1.308 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.633 1.363 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.615 -0.576 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.698 -0.522 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.026 0.072 -2.637 1.00 0.00 H new ATOM 1139 N PRO A 78 4.086 4.008 -2.266 1.00 0.00 N ATOM 1140 CA PRO A 78 2.955 4.686 -1.655 1.00 0.00 C ATOM 1141 C PRO A 78 1.644 3.965 -1.976 1.00 0.00 C ATOM 1142 O PRO A 78 1.154 4.035 -3.102 1.00 0.00 O ATOM 1143 CB PRO A 78 3.003 6.103 -2.202 1.00 0.00 C ATOM 1144 CG PRO A 78 3.872 6.040 -3.448 1.00 0.00 C ATOM 1145 CD PRO A 78 4.605 4.708 -3.437 1.00 0.00 C ATOM 0 HA PRO A 78 3.007 4.692 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.003 6.463 -2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.422 6.791 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.260 6.132 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.582 6.867 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.416 4.145 -4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.683 4.850 -3.367 1.00 0.00 H new ATOM 1153 N LEU A 79 1.115 3.290 -0.967 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.130 2.557 -1.128 1.00 0.00 C ATOM 1155 C LEU A 79 -1.291 3.548 -1.226 1.00 0.00 C ATOM 1156 O LEU A 79 -2.094 3.479 -2.155 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.293 1.527 -0.008 1.00 0.00 C ATOM 1158 CG LEU A 79 0.721 0.381 0.002 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.800 -0.268 1.386 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.406 -0.640 -1.093 1.00 0.00 C ATOM 0 H LEU A 79 1.525 3.235 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.119 1.986 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.233 2.047 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.293 1.100 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 79 1.706 0.794 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.528 -1.079 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.107 0.477 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.178 -0.664 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.142 -1.444 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.589 -1.053 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.441 -0.152 -2.067 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.343 4.448 -0.254 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.393 5.452 -0.219 1.00 0.00 C ATOM 1174 C VAL A 80 -1.766 6.833 -0.023 1.00 0.00 C ATOM 1175 O VAL A 80 -0.606 6.941 0.372 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.417 5.101 0.862 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.391 4.029 0.368 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.723 4.658 2.152 1.00 0.00 C ATOM 0 H VAL A 80 -0.675 4.503 0.515 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.934 5.472 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.992 6.000 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.108 3.798 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.922 4.397 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.837 3.127 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.474 4.414 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.111 3.779 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.090 5.465 2.520 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.560 7.855 -0.307 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.097 9.225 -0.166 1.00 0.00 C ATOM 1190 C GLU A 81 -3.039 10.012 0.747 1.00 0.00 C ATOM 1191 O GLU A 81 -4.248 10.037 0.525 1.00 0.00 O ATOM 1192 CB GLU A 81 -1.964 9.902 -1.532 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.355 11.298 -1.394 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.211 11.498 -2.390 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -0.525 11.793 -3.563 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.952 11.350 -1.956 1.00 0.00 O ATOM 0 H GLU A 81 -3.522 7.762 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.108 9.209 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.340 9.292 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.944 9.974 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.124 12.052 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.986 11.439 -0.378 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.448 10.637 1.756 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.219 11.423 2.704 1.00 0.00 C ATOM 1205 C PHE A 82 -3.471 12.834 2.168 1.00 0.00 C ATOM 1206 O PHE A 82 -2.700 13.340 1.354 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.390 11.517 3.986 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.477 10.276 4.876 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.628 9.997 5.544 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.403 9.450 4.998 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.709 8.845 6.370 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.483 8.298 5.824 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.635 8.020 6.493 1.00 0.00 C ATOM 0 H PHE A 82 -1.444 10.615 1.937 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.186 10.952 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.347 11.688 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.720 12.385 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.481 10.652 5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.489 9.671 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.623 8.624 6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.630 7.643 5.921 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.696 7.144 7.122 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.553 13.430 2.648 1.00 0.00 N ATOM 1224 CA GLU A 83 -4.917 14.772 2.228 1.00 0.00 C ATOM 1225 C GLU A 83 -3.956 15.797 2.835 1.00 0.00 C ATOM 1226 O GLU A 83 -3.221 15.485 3.770 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.366 15.091 2.602 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.322 14.701 1.472 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.435 15.824 0.439 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.379 16.192 -0.118 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.577 16.289 0.230 1.00 0.00 O ATOM 0 H GLU A 83 -5.189 13.008 3.324 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.837 14.825 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.636 14.557 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.464 16.155 2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.967 13.791 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.307 14.480 1.884 1.00 0.00 H new