USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -3.52! C(o=-3.5!,f=-5.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= -0.459 (180deg=-2) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.5 (180deg=-1.88!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.189 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0917) USER MOD Single : A 36 MET CE :methyl 137:sc= -2.26 (180deg=-6.73!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 52 ASN : amide:sc= -5.39! C(o=-5.4!,f=-7.6!) USER MOD Single : A 55 MET CE :methyl 179:sc= -2.95! (180deg=-2.99) USER MOD Single : A 60 GLN :FLIP amide:sc= -4.37! C(o=-4.9!,f=-4.4!) USER MOD Single : A 65 ASN : amide:sc= -2.91! C(o=-2.9!,f=-4.2!) USER MOD Single : A 72 MET CE :methyl -161:sc= -0.812 (180deg=-1.97) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -123:sc= -0.459 (180deg=-2.03!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.613 -3.885 -3.554 1.00 0.00 N ATOM 149 CA PHE A 13 10.027 -3.095 -2.400 1.00 0.00 C ATOM 150 C PHE A 13 8.815 -2.617 -1.605 1.00 0.00 C ATOM 151 O PHE A 13 7.754 -2.347 -2.170 1.00 0.00 O ATOM 152 CB PHE A 13 10.862 -1.894 -2.850 1.00 0.00 C ATOM 153 CG PHE A 13 10.040 -0.772 -3.418 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.323 0.070 -2.583 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.986 -0.559 -4.786 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.566 1.103 -3.103 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.231 0.473 -5.311 1.00 0.00 C ATOM 158 CZ PHE A 13 8.521 1.305 -4.469 1.00 0.00 C ATOM 0 HA PHE A 13 10.635 -3.730 -1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.434 -1.521 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.582 -2.222 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.356 -0.083 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.540 -1.207 -5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.010 1.752 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.197 0.628 -6.379 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.931 2.112 -4.877 1.00 0.00 H new ATOM 168 N THR A 14 8.980 -2.515 -0.290 1.00 0.00 N ATOM 169 CA THR A 14 7.901 -2.072 0.584 1.00 0.00 C ATOM 170 C THR A 14 7.968 -0.567 0.820 1.00 0.00 C ATOM 171 O THR A 14 9.028 0.045 0.691 1.00 0.00 O ATOM 172 CB THR A 14 7.945 -2.796 1.942 1.00 0.00 C ATOM 173 OG1 THR A 14 9.246 -2.666 2.525 1.00 0.00 O ATOM 174 CG2 THR A 14 7.602 -4.269 1.781 1.00 0.00 C ATOM 0 H THR A 14 9.851 -2.733 0.193 1.00 0.00 H new ATOM 0 HA THR A 14 6.966 -2.317 0.081 1.00 0.00 H new ATOM 0 HB THR A 14 7.206 -2.336 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.265 -3.128 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.640 -4.760 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.599 -4.366 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.321 -4.739 1.110 1.00 0.00 H new ATOM 182 N VAL A 15 6.830 0.024 1.169 1.00 0.00 N ATOM 183 CA VAL A 15 6.760 1.457 1.426 1.00 0.00 C ATOM 184 C VAL A 15 6.465 1.738 2.895 1.00 0.00 C ATOM 185 O VAL A 15 5.668 1.042 3.523 1.00 0.00 O ATOM 186 CB VAL A 15 5.679 2.130 0.559 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.621 3.624 0.843 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.942 1.870 -0.916 1.00 0.00 C ATOM 0 H VAL A 15 5.943 -0.468 1.280 1.00 0.00 H new ATOM 0 HA VAL A 15 7.734 1.873 1.168 1.00 0.00 H new ATOM 0 HB VAL A 15 4.711 1.698 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.852 4.083 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.382 3.786 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.587 4.075 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.169 2.353 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.917 2.274 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.929 0.796 -1.104 1.00 0.00 H new ATOM 198 N ASP A 16 7.114 2.763 3.437 1.00 0.00 N ATOM 199 CA ASP A 16 6.920 3.138 4.833 1.00 0.00 C ATOM 200 C ASP A 16 6.764 4.649 4.973 1.00 0.00 C ATOM 201 O ASP A 16 7.674 5.410 4.646 1.00 0.00 O ATOM 202 CB ASP A 16 8.098 2.654 5.681 1.00 0.00 C ATOM 203 CG ASP A 16 7.889 2.911 7.161 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.802 4.094 7.551 1.00 0.00 O ATOM 205 OD2 ASP A 16 7.813 1.929 7.928 1.00 0.00 O ATOM 0 H ASP A 16 7.779 3.349 2.931 1.00 0.00 H new ATOM 0 HA ASP A 16 6.006 2.662 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.245 1.586 5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.009 3.155 5.353 1.00 0.00 H new ATOM 210 N MET A 17 5.604 5.076 5.460 1.00 0.00 N ATOM 211 CA MET A 17 5.328 6.497 5.643 1.00 0.00 C ATOM 212 C MET A 17 4.345 6.717 6.788 1.00 0.00 C ATOM 213 O MET A 17 3.769 5.765 7.315 1.00 0.00 O ATOM 214 CB MET A 17 4.771 7.100 4.353 1.00 0.00 C ATOM 215 CG MET A 17 5.197 6.354 3.099 1.00 0.00 C ATOM 216 SD MET A 17 4.628 7.155 1.587 1.00 0.00 S ATOM 217 CE MET A 17 2.871 7.278 1.909 1.00 0.00 C ATOM 0 H MET A 17 4.840 4.459 5.735 1.00 0.00 H new ATOM 0 HA MET A 17 6.265 6.995 5.893 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.682 7.111 4.407 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.096 8.137 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.284 6.278 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.807 5.337 3.136 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.340 7.448 0.972 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.519 6.352 2.363 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.683 8.110 2.588 1.00 0.00 H new ATOM 227 N GLU A 18 4.157 7.977 7.168 1.00 0.00 N ATOM 228 CA GLU A 18 3.244 8.320 8.251 1.00 0.00 C ATOM 229 C GLU A 18 2.186 9.312 7.777 1.00 0.00 C ATOM 230 O GLU A 18 2.227 9.786 6.642 1.00 0.00 O ATOM 231 CB GLU A 18 4.017 8.907 9.434 1.00 0.00 C ATOM 232 CG GLU A 18 4.367 7.884 10.501 1.00 0.00 C ATOM 233 CD GLU A 18 5.656 8.217 11.227 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.695 8.376 10.552 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.626 8.318 12.471 1.00 0.00 O ATOM 0 H GLU A 18 4.625 8.777 6.742 1.00 0.00 H new ATOM 0 HA GLU A 18 2.743 7.407 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.936 9.364 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.424 9.702 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.553 7.824 11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.457 6.900 10.040 1.00 0.00 H new ATOM 242 N LYS A 19 1.238 9.622 8.656 1.00 0.00 N ATOM 243 CA LYS A 19 0.169 10.558 8.330 1.00 0.00 C ATOM 244 C LYS A 19 0.694 11.990 8.284 1.00 0.00 C ATOM 245 O LYS A 19 1.747 12.292 8.842 1.00 0.00 O ATOM 246 CB LYS A 19 -0.962 10.450 9.356 1.00 0.00 C ATOM 247 CG LYS A 19 -2.328 10.808 8.796 1.00 0.00 C ATOM 248 CD LYS A 19 -2.940 9.644 8.034 1.00 0.00 C ATOM 249 CE LYS A 19 -3.929 8.873 8.894 1.00 0.00 C ATOM 250 NZ LYS A 19 -4.872 9.781 9.604 1.00 0.00 N ATOM 0 H LYS A 19 1.189 9.238 9.600 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.218 10.300 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.993 9.432 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.741 11.105 10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.991 11.100 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.237 11.670 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.445 10.017 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.150 8.973 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.493 8.181 8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.385 8.272 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.792 9.308 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.488 10.016 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.996 10.653 9.052 1.00 0.00 H new ATOM 330 N GLY A 25 -1.115 11.877 2.346 1.00 0.00 N ATOM 331 CA GLY A 25 -0.841 12.699 1.181 1.00 0.00 C ATOM 332 C GLY A 25 -0.643 11.875 -0.076 1.00 0.00 C ATOM 333 O GLY A 25 0.229 12.174 -0.892 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.666 13.395 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.052 13.297 1.364 1.00 0.00 H new ATOM 337 N PHE A 26 -1.453 10.833 -0.232 1.00 0.00 N ATOM 338 CA PHE A 26 -1.360 9.961 -1.397 1.00 0.00 C ATOM 339 C PHE A 26 -2.706 9.307 -1.696 1.00 0.00 C ATOM 340 O PHE A 26 -3.397 8.841 -0.790 1.00 0.00 O ATOM 341 CB PHE A 26 -0.297 8.884 -1.172 1.00 0.00 C ATOM 342 CG PHE A 26 -0.838 7.628 -0.550 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.738 6.831 -1.238 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.445 7.245 0.722 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.238 5.676 -0.668 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.942 6.090 1.297 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.838 5.304 0.601 1.00 0.00 C ATOM 0 H PHE A 26 -2.181 10.572 0.433 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.073 10.571 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.166 8.637 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.488 9.288 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.052 7.116 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.257 7.855 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.941 5.064 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.629 5.803 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.226 4.400 1.047 1.00 0.00 H new ATOM 357 N SER A 27 -3.073 9.279 -2.974 1.00 0.00 N ATOM 358 CA SER A 27 -4.338 8.687 -3.393 1.00 0.00 C ATOM 359 C SER A 27 -4.103 7.397 -4.172 1.00 0.00 C ATOM 360 O SER A 27 -2.965 7.054 -4.498 1.00 0.00 O ATOM 361 CB SER A 27 -5.129 9.677 -4.250 1.00 0.00 C ATOM 362 OG SER A 27 -6.414 9.168 -4.562 1.00 0.00 O ATOM 0 H SER A 27 -2.512 9.659 -3.736 1.00 0.00 H new ATOM 0 HA SER A 27 -4.914 8.450 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.228 10.624 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.583 9.883 -5.170 1.00 0.00 H new ATOM 0 HG SER A 27 -6.900 9.820 -5.109 1.00 0.00 H new ATOM 368 N ILE A 28 -5.185 6.685 -4.467 1.00 0.00 N ATOM 369 CA ILE A 28 -5.098 5.433 -5.208 1.00 0.00 C ATOM 370 C ILE A 28 -6.180 5.352 -6.280 1.00 0.00 C ATOM 371 O ILE A 28 -7.090 6.180 -6.321 1.00 0.00 O ATOM 372 CB ILE A 28 -5.224 4.216 -4.274 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.019 4.587 -3.021 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.846 3.692 -3.898 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.691 3.404 -2.359 1.00 0.00 C ATOM 0 H ILE A 28 -6.133 6.954 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.117 5.415 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.760 3.427 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.350 5.063 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.777 5.324 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.952 2.832 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.312 3.393 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.286 4.475 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.236 3.742 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.385 2.941 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.936 2.676 -2.062 1.00 0.00 H new ATOM 387 N ARG A 29 -6.074 4.349 -7.145 1.00 0.00 N ATOM 388 CA ARG A 29 -7.044 4.159 -8.216 1.00 0.00 C ATOM 389 C ARG A 29 -7.194 2.679 -8.558 1.00 0.00 C ATOM 390 O ARG A 29 -6.418 1.843 -8.097 1.00 0.00 O ATOM 391 CB ARG A 29 -6.620 4.940 -9.462 1.00 0.00 C ATOM 392 CG ARG A 29 -5.521 4.259 -10.262 1.00 0.00 C ATOM 393 CD ARG A 29 -5.538 4.700 -11.718 1.00 0.00 C ATOM 394 NE ARG A 29 -4.695 5.871 -11.945 1.00 0.00 N ATOM 395 CZ ARG A 29 -3.387 5.803 -12.165 1.00 0.00 C ATOM 396 NH1 ARG A 29 -2.775 4.627 -12.187 1.00 0.00 N ATOM 397 NH2 ARG A 29 -2.688 6.913 -12.363 1.00 0.00 N ATOM 0 H ARG A 29 -5.326 3.656 -7.125 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.007 4.534 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.489 5.084 -10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.279 5.930 -9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.551 4.491 -9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.646 3.178 -10.207 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.197 3.880 -12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.562 4.927 -12.016 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.135 6.791 -11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.309 3.771 -12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.770 4.578 -12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.155 7.820 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.683 6.860 -12.532 1.00 0.00 H new ATOM 411 N GLY A 30 -8.200 2.363 -9.368 1.00 0.00 N ATOM 412 CA GLY A 30 -8.434 0.984 -9.757 1.00 0.00 C ATOM 413 C GLY A 30 -9.031 0.159 -8.634 1.00 0.00 C ATOM 414 O GLY A 30 -9.543 0.705 -7.658 1.00 0.00 O ATOM 0 H GLY A 30 -8.857 3.037 -9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.104 0.961 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.493 0.534 -10.074 1.00 0.00 H new ATOM 418 N GLY A 31 -8.966 -1.162 -8.773 1.00 0.00 N ATOM 419 CA GLY A 31 -9.510 -2.042 -7.756 1.00 0.00 C ATOM 420 C GLY A 31 -10.464 -3.071 -8.329 1.00 0.00 C ATOM 421 O GLY A 31 -10.703 -3.100 -9.537 1.00 0.00 O ATOM 0 H GLY A 31 -8.546 -1.638 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.693 -2.553 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.030 -1.447 -7.006 1.00 0.00 H new ATOM 425 N ARG A 32 -11.009 -3.919 -7.463 1.00 0.00 N ATOM 426 CA ARG A 32 -11.940 -4.956 -7.890 1.00 0.00 C ATOM 427 C ARG A 32 -13.176 -4.342 -8.541 1.00 0.00 C ATOM 428 O ARG A 32 -13.928 -5.026 -9.235 1.00 0.00 O ATOM 429 CB ARG A 32 -12.354 -5.822 -6.699 1.00 0.00 C ATOM 430 CG ARG A 32 -11.399 -6.972 -6.421 1.00 0.00 C ATOM 431 CD ARG A 32 -11.278 -7.897 -7.622 1.00 0.00 C ATOM 432 NE ARG A 32 -10.199 -7.492 -8.519 1.00 0.00 N ATOM 433 CZ ARG A 32 -9.931 -8.101 -9.669 1.00 0.00 C ATOM 434 NH1 ARG A 32 -10.661 -9.137 -10.059 1.00 0.00 N ATOM 435 NH2 ARG A 32 -8.933 -7.673 -10.431 1.00 0.00 N ATOM 0 H ARG A 32 -10.821 -3.908 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.435 -5.581 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.422 -5.194 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.350 -6.224 -6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.416 -6.577 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.750 -7.538 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.100 -8.916 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.221 -7.905 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.619 -6.698 -8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.430 -9.468 -9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.454 -9.603 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.370 -6.876 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.728 -8.141 -11.314 1.00 0.00 H new ATOM 449 N GLU A 33 -13.379 -3.049 -8.310 1.00 0.00 N ATOM 450 CA GLU A 33 -14.525 -2.344 -8.873 1.00 0.00 C ATOM 451 C GLU A 33 -14.360 -2.150 -10.378 1.00 0.00 C ATOM 452 O GLU A 33 -15.335 -2.181 -11.129 1.00 0.00 O ATOM 453 CB GLU A 33 -14.703 -0.986 -8.190 1.00 0.00 C ATOM 454 CG GLU A 33 -14.859 -1.080 -6.681 1.00 0.00 C ATOM 455 CD GLU A 33 -15.707 0.040 -6.111 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.745 0.369 -6.723 1.00 0.00 O ATOM 457 OE2 GLU A 33 -15.332 0.588 -5.053 1.00 0.00 O ATOM 0 H GLU A 33 -12.766 -2.469 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.413 -2.951 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.842 -0.358 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.580 -0.491 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.310 -2.039 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.874 -1.057 -6.216 1.00 0.00 H new ATOM 464 N TYR A 34 -13.120 -1.951 -10.809 1.00 0.00 N ATOM 465 CA TYR A 34 -12.826 -1.750 -12.223 1.00 0.00 C ATOM 466 C TYR A 34 -12.044 -2.931 -12.791 1.00 0.00 C ATOM 467 O TYR A 34 -11.515 -2.865 -13.900 1.00 0.00 O ATOM 468 CB TYR A 34 -12.033 -0.457 -12.422 1.00 0.00 C ATOM 469 CG TYR A 34 -12.445 0.656 -11.484 1.00 0.00 C ATOM 470 CD1 TYR A 34 -11.886 0.767 -10.217 1.00 0.00 C ATOM 471 CD2 TYR A 34 -13.393 1.597 -11.867 1.00 0.00 C ATOM 472 CE1 TYR A 34 -12.260 1.781 -9.358 1.00 0.00 C ATOM 473 CE2 TYR A 34 -13.772 2.616 -11.014 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.203 2.703 -9.761 1.00 0.00 C ATOM 475 OH TYR A 34 -13.577 3.716 -8.908 1.00 0.00 O ATOM 0 H TYR A 34 -12.302 -1.924 -10.200 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.773 -1.674 -12.757 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.972 -0.666 -12.281 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.158 -0.119 -13.451 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.146 0.048 -9.899 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.841 1.531 -12.847 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.817 1.852 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.510 3.340 -11.327 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.249 4.280 -9.345 1.00 0.00 H new ATOM 485 N LYS A 35 -11.977 -4.012 -12.022 1.00 0.00 N ATOM 486 CA LYS A 35 -11.263 -5.211 -12.446 1.00 0.00 C ATOM 487 C LYS A 35 -9.814 -4.886 -12.795 1.00 0.00 C ATOM 488 O LYS A 35 -9.321 -5.269 -13.855 1.00 0.00 O ATOM 489 CB LYS A 35 -11.960 -5.844 -13.652 1.00 0.00 C ATOM 490 CG LYS A 35 -13.356 -6.360 -13.347 1.00 0.00 C ATOM 491 CD LYS A 35 -13.311 -7.696 -12.625 1.00 0.00 C ATOM 492 CE LYS A 35 -12.975 -8.833 -13.578 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.119 -9.165 -14.471 1.00 0.00 N ATOM 0 H LYS A 35 -12.409 -4.083 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.268 -5.920 -11.618 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.021 -5.108 -14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.350 -6.668 -14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.888 -5.632 -12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.917 -6.466 -14.276 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.568 -7.656 -11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.274 -7.888 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.111 -8.557 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.694 -9.716 -13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.922 -10.055 -14.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.984 -9.271 -13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.252 -8.401 -15.164 1.00 0.00 H new ATOM 507 N MET A 36 -9.138 -4.179 -11.895 1.00 0.00 N ATOM 508 CA MET A 36 -7.745 -3.805 -12.108 1.00 0.00 C ATOM 509 C MET A 36 -7.019 -3.633 -10.777 1.00 0.00 C ATOM 510 O MET A 36 -7.649 -3.500 -9.728 1.00 0.00 O ATOM 511 CB MET A 36 -7.659 -2.512 -12.920 1.00 0.00 C ATOM 512 CG MET A 36 -8.371 -1.337 -12.268 1.00 0.00 C ATOM 513 SD MET A 36 -8.757 -0.022 -13.440 1.00 0.00 S ATOM 514 CE MET A 36 -7.752 1.313 -12.794 1.00 0.00 C ATOM 0 H MET A 36 -9.532 -3.854 -11.012 1.00 0.00 H new ATOM 0 HA MET A 36 -7.261 -4.607 -12.665 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.610 -2.254 -13.068 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.087 -2.683 -13.908 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.293 -1.688 -11.805 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.746 -0.936 -11.470 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.260 1.829 -13.618 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.385 2.016 -12.252 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.999 0.907 -12.118 1.00 0.00 H new ATOM 524 N ASP A 37 -5.691 -3.636 -10.828 1.00 0.00 N ATOM 525 CA ASP A 37 -4.880 -3.480 -9.626 1.00 0.00 C ATOM 526 C ASP A 37 -5.024 -2.073 -9.053 1.00 0.00 C ATOM 527 O ASP A 37 -5.610 -1.192 -9.683 1.00 0.00 O ATOM 528 CB ASP A 37 -3.411 -3.770 -9.936 1.00 0.00 C ATOM 529 CG ASP A 37 -3.201 -5.165 -10.492 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.139 -6.121 -9.691 1.00 0.00 O ATOM 531 OD2 ASP A 37 -3.100 -5.300 -11.729 1.00 0.00 O ATOM 0 H ASP A 37 -5.154 -3.745 -11.688 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.234 -4.194 -8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.042 -3.037 -10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.821 -3.651 -9.027 1.00 0.00 H new ATOM 536 N LEU A 38 -4.486 -1.870 -7.856 1.00 0.00 N ATOM 537 CA LEU A 38 -4.555 -0.571 -7.196 1.00 0.00 C ATOM 538 C LEU A 38 -3.292 0.242 -7.462 1.00 0.00 C ATOM 539 O LEU A 38 -2.194 -0.152 -7.070 1.00 0.00 O ATOM 540 CB LEU A 38 -4.752 -0.751 -5.690 1.00 0.00 C ATOM 541 CG LEU A 38 -6.096 -1.334 -5.253 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.939 -2.137 -3.972 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.123 -0.225 -5.068 1.00 0.00 C ATOM 0 H LEU A 38 -3.997 -2.588 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.407 -0.028 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.959 -1.398 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.626 0.219 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.451 -2.005 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.906 -2.544 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.237 -2.954 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.561 -1.490 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.074 -0.658 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.774 0.471 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.257 0.307 -6.010 1.00 0.00 H new ATOM 555 N TYR A 39 -3.457 1.380 -8.128 1.00 0.00 N ATOM 556 CA TYR A 39 -2.330 2.249 -8.446 1.00 0.00 C ATOM 557 C TYR A 39 -2.487 3.611 -7.778 1.00 0.00 C ATOM 558 O TYR A 39 -3.571 3.968 -7.315 1.00 0.00 O ATOM 559 CB TYR A 39 -2.205 2.422 -9.961 1.00 0.00 C ATOM 560 CG TYR A 39 -2.473 1.155 -10.740 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.770 0.691 -10.925 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.430 0.420 -11.291 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.020 -0.467 -11.635 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.671 -0.738 -12.004 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.967 -1.178 -12.173 1.00 0.00 C ATOM 566 OH TYR A 39 -3.211 -2.332 -12.882 1.00 0.00 O ATOM 0 H TYR A 39 -4.360 1.722 -8.458 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.423 1.780 -8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.901 3.194 -10.289 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.202 2.777 -10.196 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.597 1.246 -10.506 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.414 0.760 -11.159 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.034 -0.814 -11.768 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.849 -1.296 -12.427 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.362 -2.710 -13.194 1.00 0.00 H new ATOM 576 N VAL A 40 -1.397 4.370 -7.732 1.00 0.00 N ATOM 577 CA VAL A 40 -1.412 5.694 -7.123 1.00 0.00 C ATOM 578 C VAL A 40 -2.023 6.725 -8.065 1.00 0.00 C ATOM 579 O VAL A 40 -1.490 6.990 -9.143 1.00 0.00 O ATOM 580 CB VAL A 40 0.007 6.149 -6.733 1.00 0.00 C ATOM 581 CG1 VAL A 40 -0.045 7.457 -5.959 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.709 5.068 -5.923 1.00 0.00 C ATOM 0 H VAL A 40 -0.492 4.090 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.022 5.621 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 40 0.579 6.317 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.967 7.762 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.505 8.228 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.634 7.320 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.710 5.406 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.140 4.866 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.780 4.157 -6.517 1.00 0.00 H new ATOM 592 N LEU A 41 -3.144 7.305 -7.650 1.00 0.00 N ATOM 593 CA LEU A 41 -3.829 8.310 -8.457 1.00 0.00 C ATOM 594 C LEU A 41 -3.015 9.598 -8.529 1.00 0.00 C ATOM 595 O LEU A 41 -2.693 10.080 -9.615 1.00 0.00 O ATOM 596 CB LEU A 41 -5.214 8.600 -7.876 1.00 0.00 C ATOM 597 CG LEU A 41 -6.174 9.370 -8.784 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.636 10.763 -9.071 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.408 8.609 -10.081 1.00 0.00 C ATOM 0 H LEU A 41 -3.598 7.097 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.940 7.916 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.680 7.652 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.088 9.164 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.129 9.471 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.332 11.296 -9.718 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.521 11.309 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.668 10.684 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.094 9.172 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.459 8.476 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.839 7.633 -9.858 1.00 0.00 H new ATOM 611 N ARG A 42 -2.684 10.149 -7.366 1.00 0.00 N ATOM 612 CA ARG A 42 -1.907 11.380 -7.297 1.00 0.00 C ATOM 613 C ARG A 42 -1.223 11.516 -5.940 1.00 0.00 C ATOM 614 O ARG A 42 -1.725 11.026 -4.928 1.00 0.00 O ATOM 615 CB ARG A 42 -2.807 12.591 -7.551 1.00 0.00 C ATOM 616 CG ARG A 42 -2.356 13.847 -6.824 1.00 0.00 C ATOM 617 CD ARG A 42 -2.888 13.888 -5.400 1.00 0.00 C ATOM 618 NE ARG A 42 -4.212 14.500 -5.327 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.416 15.813 -5.332 1.00 0.00 C ATOM 620 NH1 ARG A 42 -3.388 16.647 -5.406 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.651 16.294 -5.263 1.00 0.00 N ATOM 0 H ARG A 42 -2.942 9.762 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.139 11.339 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.838 12.792 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.824 12.348 -7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.267 13.888 -6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.700 14.727 -7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.935 12.875 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.195 14.447 -4.770 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.024 13.886 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.437 16.281 -5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.548 17.654 -5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.444 15.656 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.807 17.302 -5.267 1.00 0.00 H new ATOM 635 N LEU A 43 -0.075 12.185 -5.926 1.00 0.00 N ATOM 636 CA LEU A 43 0.679 12.386 -4.694 1.00 0.00 C ATOM 637 C LEU A 43 0.514 13.813 -4.181 1.00 0.00 C ATOM 638 O LEU A 43 0.303 14.742 -4.960 1.00 0.00 O ATOM 639 CB LEU A 43 2.160 12.082 -4.923 1.00 0.00 C ATOM 640 CG LEU A 43 2.607 10.651 -4.619 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.110 10.510 -4.805 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.202 10.255 -3.207 1.00 0.00 C ATOM 0 H LEU A 43 0.354 12.597 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 43 0.287 11.702 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.399 12.303 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.749 12.763 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 43 2.111 9.979 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.409 9.485 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.373 10.751 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.626 11.192 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.528 9.234 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.669 10.931 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.118 10.315 -3.109 1.00 0.00 H new ATOM 654 N ALA A 44 0.616 13.980 -2.867 1.00 0.00 N ATOM 655 CA ALA A 44 0.483 15.294 -2.251 1.00 0.00 C ATOM 656 C ALA A 44 1.821 16.024 -2.221 1.00 0.00 C ATOM 657 O ALA A 44 2.746 15.614 -1.521 1.00 0.00 O ATOM 658 CB ALA A 44 -0.081 15.163 -0.844 1.00 0.00 C ATOM 0 H ALA A 44 0.790 13.221 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.209 15.882 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.175 16.152 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.062 14.690 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.589 14.553 -0.239 1.00 0.00 H new ATOM 664 N GLU A 45 1.916 17.108 -2.985 1.00 0.00 N ATOM 665 CA GLU A 45 3.143 17.893 -3.046 1.00 0.00 C ATOM 666 C GLU A 45 3.532 18.404 -1.661 1.00 0.00 C ATOM 667 O GLU A 45 4.685 18.762 -1.421 1.00 0.00 O ATOM 668 CB GLU A 45 2.974 19.072 -4.007 1.00 0.00 C ATOM 669 CG GLU A 45 1.829 20.000 -3.635 1.00 0.00 C ATOM 670 CD GLU A 45 1.795 21.254 -4.487 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.683 22.115 -4.310 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.882 21.376 -5.330 1.00 0.00 O ATOM 0 H GLU A 45 1.159 17.462 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 45 3.940 17.246 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.901 19.645 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.808 18.689 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.884 19.467 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.920 20.280 -2.586 1.00 0.00 H new ATOM 679 N ASP A 46 2.561 18.435 -0.755 1.00 0.00 N ATOM 680 CA ASP A 46 2.800 18.901 0.606 1.00 0.00 C ATOM 681 C ASP A 46 2.517 17.793 1.617 1.00 0.00 C ATOM 682 O ASP A 46 2.477 18.035 2.823 1.00 0.00 O ATOM 683 CB ASP A 46 1.930 20.121 0.911 1.00 0.00 C ATOM 684 CG ASP A 46 0.509 19.741 1.280 1.00 0.00 C ATOM 685 OD1 ASP A 46 -0.126 18.997 0.505 1.00 0.00 O ATOM 686 OD2 ASP A 46 0.033 20.189 2.345 1.00 0.00 O ATOM 0 H ASP A 46 1.601 18.143 -0.938 1.00 0.00 H new ATOM 0 HA ASP A 46 3.849 19.184 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.376 20.686 1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.913 20.778 0.042 1.00 0.00 H new ATOM 691 N GLY A 47 2.321 16.577 1.116 1.00 0.00 N ATOM 692 CA GLY A 47 2.044 15.452 1.989 1.00 0.00 C ATOM 693 C GLY A 47 3.297 14.685 2.364 1.00 0.00 C ATOM 694 O GLY A 47 4.348 14.830 1.740 1.00 0.00 O ATOM 0 H GLY A 47 2.349 16.351 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.557 15.811 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.343 14.778 1.496 1.00 0.00 H new ATOM 698 N PRO A 48 3.194 13.848 3.407 1.00 0.00 N ATOM 699 CA PRO A 48 4.319 13.041 3.888 1.00 0.00 C ATOM 700 C PRO A 48 4.697 11.933 2.911 1.00 0.00 C ATOM 701 O PRO A 48 5.785 11.365 2.993 1.00 0.00 O ATOM 702 CB PRO A 48 3.793 12.444 5.196 1.00 0.00 C ATOM 703 CG PRO A 48 2.312 12.425 5.035 1.00 0.00 C ATOM 704 CD PRO A 48 1.971 13.626 4.196 1.00 0.00 C ATOM 0 HA PRO A 48 5.225 13.635 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.186 11.441 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.090 13.047 6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.984 11.505 4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.814 12.471 6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.109 13.438 3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.728 14.491 4.813 1.00 0.00 H new ATOM 712 N ALA A 49 3.791 11.632 1.986 1.00 0.00 N ATOM 713 CA ALA A 49 4.031 10.593 0.991 1.00 0.00 C ATOM 714 C ALA A 49 5.044 11.055 -0.051 1.00 0.00 C ATOM 715 O ALA A 49 6.084 10.424 -0.241 1.00 0.00 O ATOM 716 CB ALA A 49 2.725 10.193 0.320 1.00 0.00 C ATOM 0 H ALA A 49 2.885 12.093 1.905 1.00 0.00 H new ATOM 0 HA ALA A 49 4.445 9.724 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.919 9.417 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.032 9.813 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.287 11.062 -0.172 1.00 0.00 H new ATOM 722 N ILE A 50 4.733 12.159 -0.723 1.00 0.00 N ATOM 723 CA ILE A 50 5.617 12.704 -1.745 1.00 0.00 C ATOM 724 C ILE A 50 7.019 12.939 -1.192 1.00 0.00 C ATOM 725 O ILE A 50 7.978 13.092 -1.948 1.00 0.00 O ATOM 726 CB ILE A 50 5.073 14.028 -2.312 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.574 14.241 -3.742 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.482 15.193 -1.423 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.737 15.220 -4.536 1.00 0.00 C ATOM 0 H ILE A 50 3.876 12.693 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 50 5.664 11.967 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 50 3.984 13.976 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.603 14.599 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.587 13.282 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.090 16.122 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.080 15.044 -0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.569 15.248 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.150 15.322 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.712 14.854 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.744 16.191 -4.040 1.00 0.00 H new ATOM 741 N ARG A 51 7.129 12.965 0.132 1.00 0.00 N ATOM 742 CA ARG A 51 8.414 13.181 0.788 1.00 0.00 C ATOM 743 C ARG A 51 9.107 11.852 1.076 1.00 0.00 C ATOM 744 O ARG A 51 10.323 11.802 1.257 1.00 0.00 O ATOM 745 CB ARG A 51 8.221 13.961 2.089 1.00 0.00 C ATOM 746 CG ARG A 51 7.676 15.364 1.884 1.00 0.00 C ATOM 747 CD ARG A 51 7.207 15.977 3.194 1.00 0.00 C ATOM 748 NE ARG A 51 6.805 17.372 3.032 1.00 0.00 N ATOM 749 CZ ARG A 51 6.554 18.187 4.051 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.665 17.749 5.297 1.00 0.00 N ATOM 751 NH2 ARG A 51 6.193 19.444 3.823 1.00 0.00 N ATOM 0 H ARG A 51 6.345 12.839 0.772 1.00 0.00 H new ATOM 0 HA ARG A 51 9.045 13.761 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.541 13.408 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.177 14.024 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.448 15.994 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.846 15.333 1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.368 15.401 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.007 15.914 3.931 1.00 0.00 H new ATOM 0 HE ARG A 51 6.712 17.740 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.944 16.784 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.472 18.377 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.108 19.785 2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.000 20.069 4.606 1.00 0.00 H new ATOM 765 N ASN A 52 8.324 10.779 1.116 1.00 0.00 N ATOM 766 CA ASN A 52 8.863 9.450 1.383 1.00 0.00 C ATOM 767 C ASN A 52 9.801 9.008 0.264 1.00 0.00 C ATOM 768 O ASN A 52 10.958 8.668 0.507 1.00 0.00 O ATOM 769 CB ASN A 52 7.726 8.438 1.541 1.00 0.00 C ATOM 770 CG ASN A 52 8.086 7.073 0.989 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.093 6.480 1.377 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.263 6.566 0.078 1.00 0.00 N ATOM 0 H ASN A 52 7.315 10.803 0.967 1.00 0.00 H new ATOM 0 HA ASN A 52 9.431 9.496 2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.471 8.344 2.597 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.838 8.811 1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.454 5.651 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.440 7.092 -0.215 1.00 0.00 H new ATOM 779 N GLY A 53 9.292 9.016 -0.964 1.00 0.00 N ATOM 780 CA GLY A 53 10.097 8.614 -2.103 1.00 0.00 C ATOM 781 C GLY A 53 9.872 7.166 -2.491 1.00 0.00 C ATOM 782 O GLY A 53 9.571 6.866 -3.647 1.00 0.00 O ATOM 0 H GLY A 53 8.337 9.294 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.864 9.255 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.151 8.765 -1.870 1.00 0.00 H new ATOM 786 N ARG A 54 10.018 6.267 -1.524 1.00 0.00 N ATOM 787 CA ARG A 54 9.831 4.842 -1.771 1.00 0.00 C ATOM 788 C ARG A 54 8.625 4.601 -2.674 1.00 0.00 C ATOM 789 O ARG A 54 8.585 3.628 -3.427 1.00 0.00 O ATOM 790 CB ARG A 54 9.652 4.092 -0.450 1.00 0.00 C ATOM 791 CG ARG A 54 10.949 3.890 0.317 1.00 0.00 C ATOM 792 CD ARG A 54 11.669 2.628 -0.130 1.00 0.00 C ATOM 793 NE ARG A 54 12.519 2.866 -1.294 1.00 0.00 N ATOM 794 CZ ARG A 54 13.456 2.018 -1.705 1.00 0.00 C ATOM 795 NH1 ARG A 54 13.661 0.883 -1.051 1.00 0.00 N ATOM 796 NH2 ARG A 54 14.189 2.305 -2.773 1.00 0.00 N ATOM 0 H ARG A 54 10.265 6.500 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 54 10.721 4.466 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.950 4.642 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.204 3.119 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.599 4.753 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.736 3.830 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.277 2.247 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.936 1.857 -0.368 1.00 0.00 H new ATOM 0 HE ARG A 54 12.386 3.730 -1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.099 0.659 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.381 0.234 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.033 3.177 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.908 1.654 -3.088 1.00 0.00 H new ATOM 810 N MET A 55 7.643 5.492 -2.591 1.00 0.00 N ATOM 811 CA MET A 55 6.435 5.376 -3.400 1.00 0.00 C ATOM 812 C MET A 55 6.153 6.677 -4.146 1.00 0.00 C ATOM 813 O MET A 55 6.323 7.766 -3.598 1.00 0.00 O ATOM 814 CB MET A 55 5.239 5.009 -2.520 1.00 0.00 C ATOM 815 CG MET A 55 4.476 6.216 -1.998 1.00 0.00 C ATOM 816 SD MET A 55 3.374 6.929 -3.235 1.00 0.00 S ATOM 817 CE MET A 55 1.791 6.767 -2.412 1.00 0.00 C ATOM 0 H MET A 55 7.660 6.302 -1.972 1.00 0.00 H new ATOM 0 HA MET A 55 6.593 4.585 -4.133 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.558 4.378 -3.091 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.589 4.417 -1.674 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.894 5.923 -1.124 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.186 6.975 -1.669 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.007 7.182 -3.046 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.585 5.713 -2.223 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.816 7.307 -1.466 1.00 0.00 H new ATOM 827 N ARG A 56 5.723 6.555 -5.397 1.00 0.00 N ATOM 828 CA ARG A 56 5.419 7.721 -6.218 1.00 0.00 C ATOM 829 C ARG A 56 4.101 7.533 -6.963 1.00 0.00 C ATOM 830 O ARG A 56 3.473 6.478 -6.878 1.00 0.00 O ATOM 831 CB ARG A 56 6.550 7.977 -7.216 1.00 0.00 C ATOM 832 CG ARG A 56 7.617 8.927 -6.697 1.00 0.00 C ATOM 833 CD ARG A 56 8.618 8.207 -5.807 1.00 0.00 C ATOM 834 NE ARG A 56 9.894 8.914 -5.737 1.00 0.00 N ATOM 835 CZ ARG A 56 10.709 9.065 -6.775 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.382 8.563 -7.957 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.853 9.721 -6.632 1.00 0.00 N ATOM 0 H ARG A 56 5.577 5.660 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 56 5.323 8.584 -5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.017 7.027 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.128 8.385 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.139 9.384 -7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.146 9.735 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.204 8.106 -4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.782 7.199 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 56 10.175 9.314 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.503 8.059 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.010 8.680 -8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.108 10.110 -5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.478 9.836 -7.430 1.00 0.00 H new ATOM 851 N VAL A 57 3.687 8.564 -7.692 1.00 0.00 N ATOM 852 CA VAL A 57 2.444 8.513 -8.453 1.00 0.00 C ATOM 853 C VAL A 57 2.670 7.910 -9.834 1.00 0.00 C ATOM 854 O VAL A 57 3.459 8.424 -10.626 1.00 0.00 O ATOM 855 CB VAL A 57 1.825 9.915 -8.611 1.00 0.00 C ATOM 856 CG1 VAL A 57 2.910 10.981 -8.606 1.00 0.00 C ATOM 857 CG2 VAL A 57 0.998 9.990 -9.885 1.00 0.00 C ATOM 0 H VAL A 57 4.194 9.445 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 57 1.755 7.881 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 57 1.164 10.100 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.454 11.965 -8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.456 10.940 -7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.598 10.803 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.568 10.987 -9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.635 9.785 -10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.197 9.252 -9.843 1.00 0.00 H new ATOM 867 N GLY A 58 1.970 6.815 -10.118 1.00 0.00 N ATOM 868 CA GLY A 58 2.108 6.159 -11.405 1.00 0.00 C ATOM 869 C GLY A 58 2.631 4.742 -11.281 1.00 0.00 C ATOM 870 O GLY A 58 2.947 4.100 -12.282 1.00 0.00 O ATOM 0 H GLY A 58 1.310 6.371 -9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.140 6.143 -11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.784 6.739 -12.034 1.00 0.00 H new ATOM 874 N ASP A 59 2.724 4.254 -10.049 1.00 0.00 N ATOM 875 CA ASP A 59 3.213 2.903 -9.797 1.00 0.00 C ATOM 876 C ASP A 59 2.053 1.930 -9.616 1.00 0.00 C ATOM 877 O ASP A 59 0.890 2.300 -9.777 1.00 0.00 O ATOM 878 CB ASP A 59 4.108 2.885 -8.556 1.00 0.00 C ATOM 879 CG ASP A 59 5.527 3.323 -8.860 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.710 4.471 -9.317 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.456 2.518 -8.639 1.00 0.00 O ATOM 0 H ASP A 59 2.467 4.773 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 59 3.797 2.587 -10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.683 3.541 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.123 1.879 -8.137 1.00 0.00 H new ATOM 886 N GLN A 60 2.378 0.685 -9.284 1.00 0.00 N ATOM 887 CA GLN A 60 1.362 -0.342 -9.084 1.00 0.00 C ATOM 888 C GLN A 60 1.465 -0.945 -7.687 1.00 0.00 C ATOM 889 O GLN A 60 2.514 -1.461 -7.299 1.00 0.00 O ATOM 890 CB GLN A 60 1.503 -1.441 -10.139 1.00 0.00 C ATOM 891 CG GLN A 60 0.245 -2.274 -10.321 1.00 0.00 C ATOM 892 CD GLN A 60 0.211 -3.487 -9.413 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.520 -3.380 -8.309 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.834 -4.509 -9.699 1.00 0.00 N flip ATOM 0 H GLN A 60 3.336 0.363 -9.148 1.00 0.00 H new ATOM 0 HA GLN A 60 0.383 0.126 -9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.768 -0.985 -11.093 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.327 -2.098 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.629 -1.653 -10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.177 -2.600 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.383 -4.548 -10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.801 -5.317 -9.077 1.00 0.00 H new ATOM 903 N ILE A 61 0.371 -0.877 -6.936 1.00 0.00 N ATOM 904 CA ILE A 61 0.340 -1.417 -5.582 1.00 0.00 C ATOM 905 C ILE A 61 -0.193 -2.846 -5.573 1.00 0.00 C ATOM 906 O ILE A 61 -1.315 -3.103 -6.010 1.00 0.00 O ATOM 907 CB ILE A 61 -0.530 -0.551 -4.651 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.181 0.929 -4.822 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.345 -0.981 -3.204 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.310 1.863 -4.449 1.00 0.00 C ATOM 0 H ILE A 61 -0.505 -0.454 -7.242 1.00 0.00 H new ATOM 0 HA ILE A 61 1.367 -1.412 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.577 -0.691 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.690 1.162 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.102 1.110 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.966 -0.360 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.638 -2.025 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.701 -0.866 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.992 2.895 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.175 1.658 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.578 1.710 -3.404 1.00 0.00 H new ATOM 922 N ILE A 62 0.619 -3.770 -5.071 1.00 0.00 N ATOM 923 CA ILE A 62 0.228 -5.173 -5.002 1.00 0.00 C ATOM 924 C ILE A 62 -0.178 -5.561 -3.585 1.00 0.00 C ATOM 925 O ILE A 62 -0.870 -6.557 -3.378 1.00 0.00 O ATOM 926 CB ILE A 62 1.367 -6.098 -5.470 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.726 -5.456 -5.183 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.223 -6.407 -6.953 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.164 -4.471 -6.245 1.00 0.00 C ATOM 0 H ILE A 62 1.551 -3.573 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.626 -5.296 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 62 1.305 -7.035 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.682 -4.945 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.478 -6.240 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.035 -7.062 -7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.268 -6.902 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.262 -5.479 -7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.135 -4.055 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.241 -4.981 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.432 -3.666 -6.319 1.00 0.00 H new ATOM 941 N GLU A 63 0.257 -4.767 -2.612 1.00 0.00 N ATOM 942 CA GLU A 63 -0.063 -5.028 -1.213 1.00 0.00 C ATOM 943 C GLU A 63 -0.416 -3.734 -0.485 1.00 0.00 C ATOM 944 O GLU A 63 0.029 -2.652 -0.870 1.00 0.00 O ATOM 945 CB GLU A 63 1.115 -5.713 -0.517 1.00 0.00 C ATOM 946 CG GLU A 63 0.871 -5.994 0.956 1.00 0.00 C ATOM 947 CD GLU A 63 2.139 -6.377 1.695 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.666 -7.480 1.436 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.605 -5.575 2.530 1.00 0.00 O ATOM 0 H GLU A 63 0.831 -3.938 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.929 -5.690 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.331 -6.652 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.000 -5.085 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.435 -5.111 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.142 -6.798 1.053 1.00 0.00 H new ATOM 956 N ILE A 64 -1.217 -3.854 0.568 1.00 0.00 N ATOM 957 CA ILE A 64 -1.629 -2.695 1.350 1.00 0.00 C ATOM 958 C ILE A 64 -1.778 -3.052 2.825 1.00 0.00 C ATOM 959 O ILE A 64 -2.531 -3.956 3.182 1.00 0.00 O ATOM 960 CB ILE A 64 -2.960 -2.114 0.837 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.774 -1.506 -0.555 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.493 -1.072 1.809 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.065 -1.030 -1.184 1.00 0.00 C ATOM 0 H ILE A 64 -1.594 -4.742 0.899 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.847 -1.944 1.237 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.688 -2.922 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.082 -0.667 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.313 -2.247 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.434 -0.671 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.659 -1.534 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.768 -0.264 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.857 -0.611 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.752 -1.870 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.517 -0.265 -0.552 1.00 0.00 H new ATOM 975 N ASN A 65 -1.055 -2.333 3.678 1.00 0.00 N ATOM 976 CA ASN A 65 -1.107 -2.573 5.115 1.00 0.00 C ATOM 977 C ASN A 65 -1.032 -4.066 5.421 1.00 0.00 C ATOM 978 O ASN A 65 -1.870 -4.606 6.142 1.00 0.00 O ATOM 979 CB ASN A 65 -2.390 -1.984 5.705 1.00 0.00 C ATOM 980 CG ASN A 65 -2.211 -0.550 6.164 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.143 -0.169 6.643 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.258 0.253 6.018 1.00 0.00 N ATOM 0 H ASN A 65 -0.427 -1.580 3.399 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.247 -2.083 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.183 -2.027 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.713 -2.595 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.197 1.229 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.124 -0.106 5.616 1.00 0.00 H new ATOM 1072 N MET A 72 -9.844 -7.032 -3.641 1.00 0.00 N ATOM 1073 CA MET A 72 -10.315 -5.875 -2.888 1.00 0.00 C ATOM 1074 C MET A 72 -10.807 -4.779 -3.828 1.00 0.00 C ATOM 1075 O MET A 72 -10.369 -4.687 -4.976 1.00 0.00 O ATOM 1076 CB MET A 72 -9.199 -5.333 -1.993 1.00 0.00 C ATOM 1077 CG MET A 72 -8.423 -6.419 -1.266 1.00 0.00 C ATOM 1078 SD MET A 72 -7.587 -5.805 0.209 1.00 0.00 S ATOM 1079 CE MET A 72 -6.960 -4.236 -0.385 1.00 0.00 C ATOM 0 HA MET A 72 -11.149 -6.194 -2.263 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.508 -4.749 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.631 -4.653 -1.259 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.105 -7.221 -0.985 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.686 -6.850 -1.944 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.157 -3.894 0.268 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.577 -4.357 -1.398 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.764 -3.500 -0.387 1.00 0.00 H new ATOM 1089 N THR A 73 -11.720 -3.947 -3.335 1.00 0.00 N ATOM 1090 CA THR A 73 -12.271 -2.858 -4.131 1.00 0.00 C ATOM 1091 C THR A 73 -11.660 -1.520 -3.731 1.00 0.00 C ATOM 1092 O THR A 73 -11.346 -1.295 -2.562 1.00 0.00 O ATOM 1093 CB THR A 73 -13.802 -2.775 -3.984 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.164 -2.801 -2.599 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.480 -3.926 -4.712 1.00 0.00 C ATOM 0 H THR A 73 -12.093 -4.007 -2.388 1.00 0.00 H new ATOM 0 HA THR A 73 -12.024 -3.070 -5.171 1.00 0.00 H new ATOM 0 HB THR A 73 -14.136 -1.838 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.139 -2.746 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.561 -3.845 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.227 -3.886 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.139 -4.873 -4.293 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.494 -0.635 -4.708 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.921 0.683 -4.457 1.00 0.00 C ATOM 1105 C HIS A 74 -11.330 1.199 -3.081 1.00 0.00 C ATOM 1106 O HIS A 74 -10.564 1.896 -2.416 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.365 1.669 -5.538 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.495 2.885 -5.632 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.782 3.954 -6.455 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.339 3.198 -5.001 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.840 4.871 -6.326 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.953 4.437 -5.449 1.00 0.00 N ATOM 0 H HIS A 74 -11.748 -0.806 -5.681 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.835 0.592 -4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.370 1.161 -6.502 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.390 1.980 -5.336 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.595 4.025 -7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.817 2.587 -4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.802 5.815 -6.849 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.543 0.854 -2.661 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.052 1.282 -1.364 1.00 0.00 C ATOM 1123 C ALA A 75 -12.232 0.682 -0.227 1.00 0.00 C ATOM 1124 O ALA A 75 -11.737 1.402 0.641 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.517 0.898 -1.220 1.00 0.00 C ATOM 0 H ALA A 75 -13.191 0.280 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.964 2.367 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.885 1.224 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.098 1.379 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.619 -0.184 -1.303 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.093 -0.639 -0.237 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.334 -1.336 0.796 1.00 0.00 C ATOM 1133 C ARG A 76 -9.989 -0.655 1.034 1.00 0.00 C ATOM 1134 O ARG A 76 -9.650 -0.308 2.165 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.115 -2.797 0.399 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.151 -3.537 1.312 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.547 -3.394 2.773 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.156 -4.559 3.563 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.586 -4.788 4.798 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.418 -3.936 5.383 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.185 -5.870 5.452 1.00 0.00 N ATOM 0 H ARG A 76 -12.496 -1.249 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.909 -1.300 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.075 -3.314 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.736 -2.835 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.130 -4.593 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.142 -3.150 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.081 -2.501 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.626 -3.253 2.844 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.517 -5.234 3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.729 -3.103 4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.747 -4.114 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.545 -6.528 5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.516 -6.044 6.401 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.228 -0.468 -0.039 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.922 0.172 0.053 1.00 0.00 C ATOM 1157 C ALA A 77 -8.020 1.520 0.760 1.00 0.00 C ATOM 1158 O ALA A 77 -7.239 1.814 1.666 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.319 0.344 -1.333 1.00 0.00 C ATOM 0 H ALA A 77 -9.494 -0.751 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.270 -0.472 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.344 0.823 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.204 -0.632 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.977 0.965 -1.942 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.981 2.335 0.339 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.180 3.651 0.933 1.00 0.00 C ATOM 1167 C ILE A 78 -9.538 3.539 2.411 1.00 0.00 C ATOM 1168 O ILE A 78 -9.424 4.508 3.162 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.289 4.435 0.206 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.973 4.541 -1.288 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.448 5.819 0.818 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.140 5.752 -1.645 1.00 0.00 C ATOM 0 H ILE A 78 -9.634 2.107 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.238 4.189 0.830 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.230 3.897 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.445 3.641 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.908 4.575 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.235 6.361 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.713 5.723 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.510 6.366 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.955 5.762 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.675 6.658 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.189 5.709 -1.113 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.970 2.351 2.821 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.344 2.113 4.211 1.00 0.00 C ATOM 1186 C GLU A 79 -9.168 1.546 5.001 1.00 0.00 C ATOM 1187 O GLU A 79 -9.016 1.819 6.192 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.533 1.152 4.285 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.505 0.242 5.501 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.893 -0.131 5.982 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.737 -0.492 5.135 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -13.137 -0.063 7.205 1.00 0.00 O ATOM 0 H GLU A 79 -10.070 1.539 2.212 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.630 3.068 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.457 1.730 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.551 0.539 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.953 -0.666 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.966 0.737 6.308 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.339 0.754 4.330 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.176 0.147 4.968 1.00 0.00 C ATOM 1201 C LEU A 80 -6.152 1.209 5.358 1.00 0.00 C ATOM 1202 O LEU A 80 -5.525 1.122 6.414 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.533 -0.878 4.032 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.371 -2.117 3.716 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.531 -3.160 2.995 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.966 -2.697 4.991 1.00 0.00 C ATOM 0 H LEU A 80 -8.451 0.517 3.344 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.512 -0.358 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.289 -0.380 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.592 -1.204 4.474 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.189 -1.821 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.144 -4.035 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.153 -2.741 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.693 -3.452 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.559 -3.578 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.163 -2.977 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.602 -1.951 5.467 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.991 2.211 4.500 1.00 0.00 N ATOM 1219 CA ILE A 81 -5.047 3.291 4.757 1.00 0.00 C ATOM 1220 C ILE A 81 -5.407 4.044 6.033 1.00 0.00 C ATOM 1221 O ILE A 81 -4.531 4.541 6.742 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.997 4.287 3.583 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.752 3.546 2.267 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.916 5.331 3.819 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.194 4.321 1.046 1.00 0.00 C ATOM 0 H ILE A 81 -6.502 2.297 3.621 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.066 2.831 4.874 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.958 4.797 3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.689 3.320 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.279 2.592 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.893 6.027 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.131 5.876 4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.948 4.838 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.990 3.735 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.263 4.524 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.648 5.263 0.996 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.701 4.124 6.321 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.179 4.814 7.513 1.00 0.00 C ATOM 1239 C LYS A 82 -7.436 3.826 8.647 1.00 0.00 C ATOM 1240 O LYS A 82 -7.615 4.221 9.799 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.460 5.591 7.200 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.302 4.958 6.105 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.565 5.761 5.840 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.248 7.104 5.201 1.00 0.00 C ATOM 1245 NZ LYS A 82 -10.022 8.165 6.222 1.00 0.00 N ATOM 0 H LYS A 82 -7.439 3.719 5.745 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.406 5.514 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.058 5.670 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.196 6.606 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.716 4.887 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.569 3.941 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.228 5.194 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.100 5.920 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.361 7.008 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.069 7.398 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.683 8.951 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.179 7.772 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.045 8.514 6.149 1.00 0.00 H new ATOM 1259 N SER A 83 -7.452 2.540 8.313 1.00 0.00 N ATOM 1260 CA SER A 83 -7.689 1.496 9.302 1.00 0.00 C ATOM 1261 C SER A 83 -6.414 1.182 10.078 1.00 0.00 C ATOM 1262 O SER A 83 -6.461 0.819 11.253 1.00 0.00 O ATOM 1263 CB SER A 83 -8.210 0.228 8.623 1.00 0.00 C ATOM 1264 OG SER A 83 -8.551 -0.761 9.579 1.00 0.00 O ATOM 0 H SER A 83 -7.304 2.196 7.364 1.00 0.00 H new ATOM 0 HA SER A 83 -8.440 1.860 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.084 0.469 8.018 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.451 -0.163 7.946 1.00 0.00 H new ATOM 0 HG SER A 83 -8.882 -1.560 9.119 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.272 1.327 9.412 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.999 1.056 10.053 1.00 0.00 C ATOM 1272 C GLY A 84 -3.618 2.123 11.059 1.00 0.00 C ATOM 1273 O GLY A 84 -2.985 1.833 12.074 1.00 0.00 O ATOM 0 H GLY A 84 -5.206 1.627 8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.047 0.089 10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.221 0.983 9.293 1.00 0.00 H new ATOM 1277 N GLY A 85 -4.002 3.365 10.777 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.686 4.461 11.674 1.00 0.00 C ATOM 1279 C GLY A 85 -2.935 5.580 10.980 1.00 0.00 C ATOM 1280 O GLY A 85 -3.361 6.065 9.932 1.00 0.00 O ATOM 0 H GLY A 85 -4.526 3.631 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.609 4.856 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.087 4.086 12.504 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.815 5.991 11.565 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.004 7.061 10.998 1.00 0.00 C ATOM 1286 C ARG A 86 0.130 6.494 10.149 1.00 0.00 C ATOM 1287 O ARG A 86 0.713 7.197 9.325 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.432 7.941 12.111 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.288 9.156 12.428 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.130 9.586 13.878 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.558 10.966 14.089 1.00 0.00 N ATOM 1292 CZ ARG A 86 -0.808 12.022 13.796 1.00 0.00 C ATOM 1293 NH1 ARG A 86 0.403 11.857 13.280 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -1.268 13.247 14.017 1.00 0.00 N ATOM 0 H ARG A 86 -1.448 5.599 12.432 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.645 7.667 10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.318 7.342 13.014 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.565 8.275 11.823 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.010 9.980 11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.335 8.927 12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.713 8.924 14.518 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.087 9.480 14.176 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.485 11.128 14.483 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.760 10.917 13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.977 12.670 13.056 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.199 13.379 14.413 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.691 14.057 13.791 1.00 0.00 H new ATOM 1308 N ARG A 87 0.436 5.218 10.358 1.00 0.00 N ATOM 1309 CA ARG A 87 1.501 4.556 9.614 1.00 0.00 C ATOM 1310 C ARG A 87 0.928 3.538 8.633 1.00 0.00 C ATOM 1311 O ARG A 87 0.205 2.621 9.025 1.00 0.00 O ATOM 1312 CB ARG A 87 2.470 3.865 10.575 1.00 0.00 C ATOM 1313 CG ARG A 87 2.945 4.758 11.709 1.00 0.00 C ATOM 1314 CD ARG A 87 3.602 3.951 12.818 1.00 0.00 C ATOM 1315 NE ARG A 87 4.537 4.754 13.600 1.00 0.00 N ATOM 1316 CZ ARG A 87 5.540 4.239 14.302 1.00 0.00 C ATOM 1317 NH1 ARG A 87 5.738 2.928 14.318 1.00 0.00 N ATOM 1318 NH2 ARG A 87 6.349 5.035 14.989 1.00 0.00 N ATOM 0 H ARG A 87 -0.038 4.622 11.036 1.00 0.00 H new ATOM 0 HA ARG A 87 2.041 5.315 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.984 2.985 10.996 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.336 3.513 10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.653 5.492 11.323 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.099 5.314 12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.833 3.547 13.476 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.129 3.101 12.384 1.00 0.00 H new ATOM 0 HE ARG A 87 4.413 5.766 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.119 2.312 13.790 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.509 2.535 14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.201 6.044 14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.119 4.638 15.528 1.00 0.00 H new ATOM 1332 N VAL A 88 1.254 3.705 7.356 1.00 0.00 N ATOM 1333 CA VAL A 88 0.773 2.801 6.318 1.00 0.00 C ATOM 1334 C VAL A 88 1.931 2.214 5.520 1.00 0.00 C ATOM 1335 O VAL A 88 2.852 2.929 5.125 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.191 3.517 5.353 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.542 4.594 4.568 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.847 2.515 4.416 1.00 0.00 C ATOM 0 H VAL A 88 1.850 4.459 7.015 1.00 0.00 H new ATOM 0 HA VAL A 88 0.239 1.996 6.822 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.974 3.998 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.155 5.089 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.960 5.327 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.347 4.139 3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.525 3.038 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.079 2.004 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.408 1.784 4.999 1.00 0.00 H new ATOM 1348 N ARG A 89 1.878 0.907 5.285 1.00 0.00 N ATOM 1349 CA ARG A 89 2.923 0.222 4.534 1.00 0.00 C ATOM 1350 C ARG A 89 2.325 -0.608 3.403 1.00 0.00 C ATOM 1351 O ARG A 89 1.510 -1.502 3.638 1.00 0.00 O ATOM 1352 CB ARG A 89 3.743 -0.676 5.462 1.00 0.00 C ATOM 1353 CG ARG A 89 4.659 -1.640 4.725 1.00 0.00 C ATOM 1354 CD ARG A 89 5.063 -2.810 5.608 1.00 0.00 C ATOM 1355 NE ARG A 89 5.957 -2.399 6.686 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.466 -3.240 7.580 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.170 -4.531 7.524 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.273 -2.790 8.532 1.00 0.00 N ATOM 0 H ARG A 89 1.122 0.301 5.604 1.00 0.00 H new ATOM 0 HA ARG A 89 3.578 0.978 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.344 -0.050 6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.064 -1.246 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.155 -2.013 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.551 -1.111 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.170 -3.269 6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.554 -3.570 5.000 1.00 0.00 H new ATOM 0 HE ARG A 89 6.205 -1.412 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.550 -4.881 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.562 -5.174 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.503 -1.797 8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.663 -3.437 9.218 1.00 0.00 H new ATOM 1372 N LEU A 90 2.733 -0.307 2.175 1.00 0.00 N ATOM 1373 CA LEU A 90 2.238 -1.025 1.006 1.00 0.00 C ATOM 1374 C LEU A 90 3.385 -1.418 0.081 1.00 0.00 C ATOM 1375 O LEU A 90 4.383 -0.703 -0.027 1.00 0.00 O ATOM 1376 CB LEU A 90 1.226 -0.165 0.246 1.00 0.00 C ATOM 1377 CG LEU A 90 1.419 1.348 0.351 1.00 0.00 C ATOM 1378 CD1 LEU A 90 1.008 2.030 -0.945 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.626 1.906 1.524 1.00 0.00 C ATOM 0 H LEU A 90 3.406 0.430 1.963 1.00 0.00 H new ATOM 0 HA LEU A 90 1.747 -1.935 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.261 -0.443 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.227 -0.410 0.607 1.00 0.00 H new ATOM 0 HG LEU A 90 2.476 1.549 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.152 3.106 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.619 1.652 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.042 1.821 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.775 2.984 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.433 1.693 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.968 1.441 2.449 1.00 0.00 H new ATOM 1391 N LEU A 91 3.236 -2.557 -0.587 1.00 0.00 N ATOM 1392 CA LEU A 91 4.260 -3.044 -1.505 1.00 0.00 C ATOM 1393 C LEU A 91 4.103 -2.407 -2.882 1.00 0.00 C ATOM 1394 O LEU A 91 3.148 -2.694 -3.606 1.00 0.00 O ATOM 1395 CB LEU A 91 4.183 -4.567 -1.624 1.00 0.00 C ATOM 1396 CG LEU A 91 5.436 -5.263 -2.156 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.167 -6.742 -2.390 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.912 -4.597 -3.439 1.00 0.00 C ATOM 0 H LEU A 91 2.417 -3.160 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 91 5.235 -2.766 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.954 -4.977 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.347 -4.819 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 91 6.224 -5.172 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.070 -7.221 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.874 -7.212 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.364 -6.855 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.805 -5.105 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.127 -4.657 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.146 -3.551 -3.241 1.00 0.00 H new ATOM 1410 N LEU A 92 5.046 -1.543 -3.240 1.00 0.00 N ATOM 1411 CA LEU A 92 5.015 -0.867 -4.532 1.00 0.00 C ATOM 1412 C LEU A 92 6.292 -1.139 -5.320 1.00 0.00 C ATOM 1413 O LEU A 92 7.386 -1.177 -4.757 1.00 0.00 O ATOM 1414 CB LEU A 92 4.834 0.640 -4.337 1.00 0.00 C ATOM 1415 CG LEU A 92 4.243 1.404 -5.522 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.737 1.207 -5.587 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.587 2.883 -5.428 1.00 0.00 C ATOM 0 H LEU A 92 5.842 -1.294 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 92 4.170 -1.258 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.192 0.799 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.805 1.074 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 92 4.679 1.008 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.334 1.758 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.513 0.147 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.282 1.575 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.158 3.411 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.180 3.293 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.670 3.006 -5.433 1.00 0.00 H new