USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 584 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 290 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 362 ASN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Set 2.1: A 310 SER OG : rot 68:sc= 2.07 USER MOD Set 2.2: A 347 LYS NZ :NH3+ -129:sc= 1.19 (180deg=-3.43!) USER MOD Single : A 289 HIS : no HE2:sc= -5.58 K(o=-5.6,f=-7.6!) USER MOD Single : A 292 HIS : no HE2:sc= 0.221 K(o=0.22,f=-4.3!) USER MOD Single : A 293 MET CE :methyl -162:sc= -3.06 (180deg=-3.97) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.01) USER MOD Single : A 301 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 303 ASN : amide:sc= 1.22 K(o=1.2,f=-0.03) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 313 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 318 HIS : no HE2:sc= -0.966 X(o=-0.97,f=-1.2) USER MOD Single : A 328 THR OG1 : rot -41:sc= 0.446 USER MOD Single : A 337 THR OG1 : rot -76:sc= 1.07 USER MOD Single : A 338 HIS : no HE2:sc= 0.403 K(o=0.4,f=-2.5!) USER MOD Single : A 345 MET CE :methyl 145:sc= -3.17! (180deg=-7.72!) USER MOD Single : A 346 SER OG : rot -107:sc= 0.915 USER MOD Single : A 351 ASN : amide:sc= 0.573 K(o=0.57,f=-3.1) USER MOD Single : A 352 MET CE :methyl -132:sc= 0 (180deg=-0.0456) USER MOD Single : A 353 GLN : amide:sc= -0.0629 X(o=-0.063,f=-0.13) USER MOD Single : A 354 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 167:sc= 0.0711 USER MOD ----------------------------------------------------------------- ATOM 22 N HIS A 289 0.427 12.602 5.727 1.00 0.00 N ATOM 23 CA HIS A 289 1.263 11.803 4.823 1.00 0.00 C ATOM 24 C HIS A 289 0.498 10.931 3.825 1.00 0.00 C ATOM 25 O HIS A 289 -0.554 10.424 4.196 1.00 0.00 O ATOM 26 CB HIS A 289 2.121 10.853 5.663 1.00 0.00 C ATOM 27 CG HIS A 289 3.493 10.911 5.114 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.315 12.003 5.189 1.00 0.00 N ATOM 29 CD2 HIS A 289 4.041 10.005 4.258 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.362 11.749 4.399 1.00 0.00 C ATOM 31 NE2 HIS A 289 5.230 10.562 3.784 1.00 0.00 N ATOM 0 HA HIS A 289 1.836 12.530 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 289 2.112 11.150 6.712 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.730 9.837 5.617 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.159 12.847 5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 289 3.634 9.040 3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.205 12.412 4.271 1.00 0.00 H new ATOM 39 N CYS A 290 1.067 10.579 2.660 1.00 0.00 N ATOM 40 CA CYS A 290 0.511 9.467 1.866 1.00 0.00 C ATOM 41 C CYS A 290 1.511 8.617 1.071 1.00 0.00 C ATOM 42 O CYS A 290 2.611 9.065 0.739 1.00 0.00 O ATOM 43 CB CYS A 290 -0.608 9.976 0.952 1.00 0.00 C ATOM 44 SG CYS A 290 0.027 11.054 -0.365 1.00 0.00 S ATOM 0 H CYS A 290 1.887 11.031 2.255 1.00 0.00 H new ATOM 0 HA CYS A 290 0.124 8.776 2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.127 9.127 0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.341 10.522 1.546 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.959 11.455 -1.111 1.00 0.00 H new ATOM 50 N VAL A 291 1.107 7.385 0.724 1.00 0.00 N ATOM 51 CA VAL A 291 1.957 6.398 0.039 1.00 0.00 C ATOM 52 C VAL A 291 1.190 5.640 -1.020 1.00 0.00 C ATOM 53 O VAL A 291 0.214 4.948 -0.735 1.00 0.00 O ATOM 54 CB VAL A 291 2.604 5.416 1.024 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.720 4.582 0.397 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.264 6.155 2.175 1.00 0.00 C ATOM 0 H VAL A 291 0.166 7.041 0.914 1.00 0.00 H new ATOM 0 HA VAL A 291 2.752 6.962 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 291 1.784 4.775 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.136 3.908 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.317 3.999 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.505 5.243 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.715 5.436 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 291 4.036 6.819 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.515 6.742 2.708 1.00 0.00 H new ATOM 66 N HIS A 292 1.647 5.817 -2.255 1.00 0.00 N ATOM 67 CA HIS A 292 1.081 5.215 -3.454 1.00 0.00 C ATOM 68 C HIS A 292 1.521 3.745 -3.602 1.00 0.00 C ATOM 69 O HIS A 292 2.595 3.350 -3.136 1.00 0.00 O ATOM 70 CB HIS A 292 1.522 6.097 -4.633 1.00 0.00 C ATOM 71 CG HIS A 292 1.048 5.683 -5.998 1.00 0.00 C ATOM 72 ND1 HIS A 292 -0.146 5.079 -6.325 1.00 0.00 N ATOM 73 CD2 HIS A 292 1.748 5.858 -7.162 1.00 0.00 C ATOM 74 CE1 HIS A 292 -0.134 4.839 -7.643 1.00 0.00 C ATOM 75 NE2 HIS A 292 0.990 5.317 -8.205 1.00 0.00 N ATOM 0 H HIS A 292 2.454 6.408 -2.455 1.00 0.00 H new ATOM 0 HA HIS A 292 -0.007 5.177 -3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.176 7.114 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.611 6.129 -4.646 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.903 4.855 -5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 292 2.715 6.330 -7.257 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.920 4.331 -8.181 1.00 0.00 H new ATOM 83 N MET A 293 0.688 2.945 -4.269 1.00 0.00 N ATOM 84 CA MET A 293 0.917 1.540 -4.599 1.00 0.00 C ATOM 85 C MET A 293 0.454 1.244 -6.011 1.00 0.00 C ATOM 86 O MET A 293 -0.629 1.689 -6.405 1.00 0.00 O ATOM 87 CB MET A 293 0.123 0.585 -3.714 1.00 0.00 C ATOM 88 CG MET A 293 -0.028 1.064 -2.288 1.00 0.00 C ATOM 89 SD MET A 293 -0.976 -0.132 -1.344 1.00 0.00 S ATOM 90 CE MET A 293 0.280 -1.400 -1.057 1.00 0.00 C ATOM 0 H MET A 293 -0.213 3.279 -4.611 1.00 0.00 H new ATOM 0 HA MET A 293 1.988 1.388 -4.462 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.867 0.441 -4.147 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.615 -0.388 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 293 0.954 1.203 -1.835 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.527 2.033 -2.271 1.00 0.00 H new ATOM 0 HE1 MET A 293 -0.204 -2.335 -0.775 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.859 -1.552 -1.968 1.00 0.00 H new ATOM 0 HE3 MET A 293 0.944 -1.079 -0.255 1.00 0.00 H new ATOM 100 N ARG A 294 1.190 0.389 -6.722 1.00 0.00 N ATOM 101 CA ARG A 294 0.687 -0.228 -7.958 1.00 0.00 C ATOM 102 C ARG A 294 1.150 -1.669 -8.131 1.00 0.00 C ATOM 103 O ARG A 294 2.278 -2.018 -7.779 1.00 0.00 O ATOM 104 CB ARG A 294 1.117 0.596 -9.176 1.00 0.00 C ATOM 105 CG ARG A 294 0.656 2.055 -9.152 1.00 0.00 C ATOM 106 CD ARG A 294 1.104 2.803 -10.417 1.00 0.00 C ATOM 107 NE ARG A 294 0.605 2.153 -11.641 1.00 0.00 N ATOM 108 CZ ARG A 294 1.264 1.393 -12.493 1.00 0.00 C ATOM 109 NH1 ARG A 294 2.544 1.164 -12.423 1.00 0.00 N ATOM 110 NH2 ARG A 294 0.587 0.807 -13.433 1.00 0.00 N ATOM 0 H ARG A 294 2.136 0.106 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.400 -0.242 -7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.204 0.573 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.728 0.120 -10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.430 2.094 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 294 1.061 2.552 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 294 0.744 3.831 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 294 2.193 2.848 -10.447 1.00 0.00 H new ATOM 0 HE ARG A 294 -0.379 2.312 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 294 3.097 1.584 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 294 2.994 0.565 -13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 294 -0.422 0.942 -13.495 1.00 0.00 H new ATOM 0 HH22 ARG A 294 1.064 0.212 -14.110 1.00 0.00 H new ATOM 124 N GLY A 295 0.271 -2.486 -8.702 1.00 0.00 N ATOM 125 CA GLY A 295 0.534 -3.876 -9.074 1.00 0.00 C ATOM 126 C GLY A 295 -0.059 -4.877 -8.083 1.00 0.00 C ATOM 127 O GLY A 295 0.347 -6.041 -8.084 1.00 0.00 O ATOM 0 H GLY A 295 -0.679 -2.190 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.123 -4.066 -10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.611 -4.032 -9.140 1.00 0.00 H new ATOM 131 N LEU A 296 -0.974 -4.428 -7.210 1.00 0.00 N ATOM 132 CA LEU A 296 -1.602 -5.266 -6.187 1.00 0.00 C ATOM 133 C LEU A 296 -2.260 -6.509 -6.811 1.00 0.00 C ATOM 134 O LEU A 296 -2.817 -6.424 -7.911 1.00 0.00 O ATOM 135 CB LEU A 296 -2.653 -4.473 -5.407 1.00 0.00 C ATOM 136 CG LEU A 296 -2.247 -3.163 -4.715 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.470 -2.614 -3.981 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.144 -3.373 -3.687 1.00 0.00 C ATOM 0 H LEU A 296 -1.300 -3.461 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.816 -5.590 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.466 -4.241 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -3.061 -5.134 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.879 -2.479 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.206 -1.682 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.271 -2.428 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.807 -3.340 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.891 -2.419 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.488 -4.068 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.262 -3.783 -4.179 1.00 0.00 H new ATOM 150 N PRO A 297 -2.244 -7.658 -6.120 1.00 0.00 N ATOM 151 CA PRO A 297 -2.836 -8.886 -6.637 1.00 0.00 C ATOM 152 C PRO A 297 -4.367 -8.823 -6.532 1.00 0.00 C ATOM 153 O PRO A 297 -4.923 -8.007 -5.793 1.00 0.00 O ATOM 154 CB PRO A 297 -2.239 -9.985 -5.755 1.00 0.00 C ATOM 155 CG PRO A 297 -2.198 -9.281 -4.397 1.00 0.00 C ATOM 156 CD PRO A 297 -1.754 -7.866 -4.763 1.00 0.00 C ATOM 0 HA PRO A 297 -2.624 -9.060 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -2.859 -10.881 -5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.248 -10.290 -6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.173 -9.286 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.497 -9.761 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.172 -7.131 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.670 -7.767 -4.715 1.00 0.00 H new ATOM 164 N TYR A 298 -5.073 -9.731 -7.206 1.00 0.00 N ATOM 165 CA TYR A 298 -6.542 -9.751 -7.189 1.00 0.00 C ATOM 166 C TYR A 298 -7.163 -9.967 -5.785 1.00 0.00 C ATOM 167 O TYR A 298 -8.312 -9.600 -5.550 1.00 0.00 O ATOM 168 CB TYR A 298 -7.058 -10.764 -8.220 1.00 0.00 C ATOM 169 CG TYR A 298 -7.337 -12.146 -7.665 1.00 0.00 C ATOM 170 CD1 TYR A 298 -6.275 -12.999 -7.305 1.00 0.00 C ATOM 171 CD2 TYR A 298 -8.671 -12.548 -7.460 1.00 0.00 C ATOM 172 CE1 TYR A 298 -6.550 -14.252 -6.723 1.00 0.00 C ATOM 173 CE2 TYR A 298 -8.948 -13.802 -6.883 1.00 0.00 C ATOM 174 CZ TYR A 298 -7.886 -14.656 -6.508 1.00 0.00 C ATOM 175 OH TYR A 298 -8.140 -15.868 -5.940 1.00 0.00 O ATOM 0 H TYR A 298 -4.652 -10.467 -7.774 1.00 0.00 H new ATOM 0 HA TYR A 298 -6.876 -8.753 -7.471 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -7.974 -10.374 -8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -6.325 -10.851 -9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -5.253 -12.693 -7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -9.482 -11.894 -7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -5.737 -14.905 -6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -9.971 -14.111 -6.727 1.00 0.00 H new ATOM 0 HH TYR A 298 -9.108 -15.995 -5.860 1.00 0.00 H new ATOM 185 N LYS A 299 -6.399 -10.516 -4.831 1.00 0.00 N ATOM 186 CA LYS A 299 -6.773 -10.673 -3.410 1.00 0.00 C ATOM 187 C LYS A 299 -6.673 -9.401 -2.548 1.00 0.00 C ATOM 188 O LYS A 299 -7.093 -9.435 -1.392 1.00 0.00 O ATOM 189 CB LYS A 299 -6.014 -11.871 -2.796 1.00 0.00 C ATOM 190 CG LYS A 299 -4.488 -11.917 -3.019 1.00 0.00 C ATOM 191 CD LYS A 299 -3.588 -11.537 -1.835 1.00 0.00 C ATOM 192 CE LYS A 299 -3.733 -10.102 -1.323 1.00 0.00 C ATOM 193 NZ LYS A 299 -2.614 -9.726 -0.421 1.00 0.00 N ATOM 0 H LYS A 299 -5.467 -10.878 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 299 -7.843 -10.881 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.201 -11.877 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -6.444 -12.788 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -4.224 -12.927 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.249 -11.253 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.796 -12.220 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -2.550 -11.696 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -3.765 -9.415 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -4.679 -9.999 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -2.700 -8.723 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.650 -10.310 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -1.708 -9.881 -0.908 1.00 0.00 H new ATOM 207 N ALA A 300 -6.105 -8.297 -3.049 1.00 0.00 N ATOM 208 CA ALA A 300 -5.942 -7.052 -2.311 1.00 0.00 C ATOM 209 C ALA A 300 -7.255 -6.449 -1.751 1.00 0.00 C ATOM 210 O ALA A 300 -8.328 -6.537 -2.352 1.00 0.00 O ATOM 211 CB ALA A 300 -5.221 -6.057 -3.216 1.00 0.00 C ATOM 0 H ALA A 300 -5.740 -8.250 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.355 -7.277 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.086 -5.114 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.247 -6.459 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.814 -5.886 -4.114 1.00 0.00 H new ATOM 217 N THR A 301 -7.105 -5.777 -0.611 1.00 0.00 N ATOM 218 CA THR A 301 -8.049 -4.921 0.130 1.00 0.00 C ATOM 219 C THR A 301 -7.269 -3.818 0.828 1.00 0.00 C ATOM 220 O THR A 301 -6.052 -3.873 0.907 1.00 0.00 O ATOM 221 CB THR A 301 -8.830 -5.665 1.232 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.092 -7.021 0.926 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.182 -5.025 1.454 1.00 0.00 C ATOM 0 H THR A 301 -6.212 -5.821 -0.120 1.00 0.00 H new ATOM 0 HA THR A 301 -8.760 -4.550 -0.608 1.00 0.00 H new ATOM 0 HB THR A 301 -8.188 -5.606 2.111 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.587 -7.433 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.716 -5.565 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.048 -3.987 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.758 -5.061 0.529 1.00 0.00 H new ATOM 231 N GLU A 302 -7.947 -2.818 1.376 1.00 0.00 N ATOM 232 CA GLU A 302 -7.299 -1.719 2.081 1.00 0.00 C ATOM 233 C GLU A 302 -6.554 -2.190 3.329 1.00 0.00 C ATOM 234 O GLU A 302 -5.371 -1.926 3.497 1.00 0.00 O ATOM 235 CB GLU A 302 -8.308 -0.632 2.417 1.00 0.00 C ATOM 236 CG GLU A 302 -9.721 -1.053 2.803 1.00 0.00 C ATOM 237 CD GLU A 302 -9.887 -1.658 4.203 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.870 -0.912 5.210 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.020 -2.901 4.286 1.00 0.00 O ATOM 0 H GLU A 302 -8.964 -2.746 1.344 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.549 -1.299 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -7.901 -0.042 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.382 0.031 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.371 -0.182 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.074 -1.780 2.071 1.00 0.00 H new ATOM 246 N ASN A 303 -7.196 -2.966 4.192 1.00 0.00 N ATOM 247 CA ASN A 303 -6.536 -3.487 5.376 1.00 0.00 C ATOM 248 C ASN A 303 -5.462 -4.513 5.027 1.00 0.00 C ATOM 249 O ASN A 303 -4.411 -4.580 5.665 1.00 0.00 O ATOM 250 CB ASN A 303 -7.597 -4.012 6.337 1.00 0.00 C ATOM 251 CG ASN A 303 -8.155 -5.372 5.944 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.680 -6.414 6.373 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.151 -5.405 5.092 1.00 0.00 N ATOM 0 H ASN A 303 -8.172 -3.247 4.093 1.00 0.00 H new ATOM 0 HA ASN A 303 -5.993 -2.687 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.168 -4.080 7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.415 -3.294 6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.531 -6.301 4.786 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.546 -4.535 4.735 1.00 0.00 H new ATOM 260 N ASP A 304 -5.696 -5.241 3.938 1.00 0.00 N ATOM 261 CA ASP A 304 -4.730 -6.152 3.356 1.00 0.00 C ATOM 262 C ASP A 304 -3.420 -5.438 3.011 1.00 0.00 C ATOM 263 O ASP A 304 -2.342 -5.911 3.374 1.00 0.00 O ATOM 264 CB ASP A 304 -5.334 -6.827 2.136 1.00 0.00 C ATOM 265 CG ASP A 304 -4.332 -7.776 1.481 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.165 -8.918 1.964 1.00 0.00 O ATOM 267 OD2 ASP A 304 -3.704 -7.376 0.476 1.00 0.00 O ATOM 0 H ASP A 304 -6.580 -5.209 3.431 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.485 -6.917 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.227 -7.380 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.648 -6.071 1.416 1.00 0.00 H new ATOM 272 N ILE A 305 -3.500 -4.261 2.384 1.00 0.00 N ATOM 273 CA ILE A 305 -2.298 -3.569 1.929 1.00 0.00 C ATOM 274 C ILE A 305 -1.542 -2.928 3.074 1.00 0.00 C ATOM 275 O ILE A 305 -0.322 -3.040 3.144 1.00 0.00 O ATOM 276 CB ILE A 305 -2.593 -2.532 0.845 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.698 -1.549 1.208 1.00 0.00 C ATOM 278 CG2 ILE A 305 -2.931 -3.315 -0.429 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.711 -0.290 0.377 1.00 0.00 C ATOM 0 H ILE A 305 -4.374 -3.775 2.183 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.664 -4.339 1.489 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.716 -1.899 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.661 -2.049 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.594 -1.276 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.151 -2.617 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.082 -3.939 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -3.801 -3.946 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.529 0.353 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.765 0.237 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -3.849 -0.548 -0.673 1.00 0.00 H new ATOM 291 N TYR A 306 -2.224 -2.267 4.001 1.00 0.00 N ATOM 292 CA TYR A 306 -1.478 -1.474 4.960 1.00 0.00 C ATOM 293 C TYR A 306 -0.900 -2.313 6.089 1.00 0.00 C ATOM 294 O TYR A 306 0.125 -1.946 6.662 1.00 0.00 O ATOM 295 CB TYR A 306 -2.292 -0.292 5.417 1.00 0.00 C ATOM 296 CG TYR A 306 -3.404 -0.561 6.401 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.057 -0.855 7.731 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.754 -0.394 6.029 1.00 0.00 C ATOM 299 CE1 TYR A 306 -4.065 -0.991 8.703 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.762 -0.503 7.007 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.420 -0.809 8.346 1.00 0.00 C ATOM 302 OH TYR A 306 -6.389 -0.932 9.293 1.00 0.00 O ATOM 0 H TYR A 306 -3.239 -2.262 4.106 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.600 -1.066 4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.613 0.434 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.727 0.180 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -2.020 -0.976 8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.013 -0.184 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.803 -1.235 9.722 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.796 -0.353 6.735 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.266 -0.776 8.885 1.00 0.00 H new ATOM 312 N ASN A 307 -1.520 -3.462 6.358 1.00 0.00 N ATOM 313 CA ASN A 307 -0.969 -4.440 7.297 1.00 0.00 C ATOM 314 C ASN A 307 0.157 -5.288 6.679 1.00 0.00 C ATOM 315 O ASN A 307 1.007 -5.787 7.420 1.00 0.00 O ATOM 316 CB ASN A 307 -2.086 -5.284 7.930 1.00 0.00 C ATOM 317 CG ASN A 307 -2.217 -6.686 7.356 1.00 0.00 C ATOM 318 OD1 ASN A 307 -1.794 -7.673 7.940 1.00 0.00 O ATOM 319 ND2 ASN A 307 -2.775 -6.815 6.181 1.00 0.00 N ATOM 0 H ASN A 307 -2.407 -3.739 5.938 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.492 -3.886 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -1.904 -5.359 9.002 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.035 -4.763 7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -2.857 -7.738 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.129 -5.993 5.691 1.00 0.00 H new ATOM 326 N PHE A 308 0.208 -5.426 5.342 1.00 0.00 N ATOM 327 CA PHE A 308 1.408 -5.957 4.695 1.00 0.00 C ATOM 328 C PHE A 308 2.508 -4.893 4.727 1.00 0.00 C ATOM 329 O PHE A 308 3.588 -5.214 5.207 1.00 0.00 O ATOM 330 CB PHE A 308 1.149 -6.488 3.268 1.00 0.00 C ATOM 331 CG PHE A 308 1.993 -5.825 2.197 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.365 -6.115 2.050 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.436 -4.774 1.458 1.00 0.00 C ATOM 334 CE1 PHE A 308 4.159 -5.330 1.203 1.00 0.00 C ATOM 335 CE2 PHE A 308 2.219 -3.984 0.632 1.00 0.00 C ATOM 336 CZ PHE A 308 3.574 -4.254 0.527 1.00 0.00 C ATOM 0 H PHE A 308 -0.551 -5.182 4.706 1.00 0.00 H new ATOM 0 HA PHE A 308 1.737 -6.830 5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.338 -7.561 3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 308 0.096 -6.346 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.804 -6.941 2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 308 0.377 -4.576 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 308 5.208 -5.553 1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.779 -3.168 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 308 4.192 -3.620 -0.091 1.00 0.00 H new ATOM 346 N PHE A 309 2.233 -3.654 4.278 1.00 0.00 N ATOM 347 CA PHE A 309 3.165 -2.515 4.164 1.00 0.00 C ATOM 348 C PHE A 309 4.049 -2.345 5.386 1.00 0.00 C ATOM 349 O PHE A 309 5.175 -1.919 5.216 1.00 0.00 O ATOM 350 CB PHE A 309 2.369 -1.205 4.063 1.00 0.00 C ATOM 351 CG PHE A 309 2.277 -0.422 2.771 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.458 0.120 2.231 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.034 0.006 2.271 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.396 1.115 1.244 1.00 0.00 C ATOM 355 CE2 PHE A 309 0.977 0.984 1.266 1.00 0.00 C ATOM 356 CZ PHE A 309 2.153 1.544 0.753 1.00 0.00 C ATOM 0 H PHE A 309 1.295 -3.405 3.965 1.00 0.00 H new ATOM 0 HA PHE A 309 3.775 -2.723 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.347 -1.434 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.780 -0.528 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.418 -0.232 2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.121 -0.419 2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.307 1.552 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.019 1.307 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.104 2.301 -0.016 1.00 0.00 H new ATOM 366 N SER A 310 3.534 -2.641 6.574 1.00 0.00 N ATOM 367 CA SER A 310 4.170 -3.226 7.776 1.00 0.00 C ATOM 368 C SER A 310 3.145 -3.194 8.917 1.00 0.00 C ATOM 369 O SER A 310 1.966 -2.932 8.675 1.00 0.00 O ATOM 370 CB SER A 310 5.439 -2.470 8.200 1.00 0.00 C ATOM 371 OG SER A 310 6.503 -2.477 7.278 1.00 0.00 O ATOM 0 H SER A 310 2.546 -2.460 6.751 1.00 0.00 H new ATOM 0 HA SER A 310 4.476 -4.246 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.169 -1.434 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 310 5.795 -2.897 9.138 1.00 0.00 H new ATOM 0 HG SER A 310 6.256 -1.950 6.489 1.00 0.00 H new ATOM 377 N PRO A 311 3.558 -3.413 10.172 1.00 0.00 N ATOM 378 CA PRO A 311 2.869 -2.908 11.349 1.00 0.00 C ATOM 379 C PRO A 311 2.465 -1.410 11.420 1.00 0.00 C ATOM 380 O PRO A 311 2.948 -0.672 12.283 1.00 0.00 O ATOM 381 CB PRO A 311 3.762 -3.348 12.504 1.00 0.00 C ATOM 382 CG PRO A 311 4.215 -4.732 12.054 1.00 0.00 C ATOM 383 CD PRO A 311 4.470 -4.490 10.568 1.00 0.00 C ATOM 0 HA PRO A 311 1.861 -3.323 11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 311 4.604 -2.671 12.648 1.00 0.00 H new ATOM 0 HB3 PRO A 311 3.218 -3.385 13.448 1.00 0.00 H new ATOM 0 HG2 PRO A 311 5.112 -5.062 12.577 1.00 0.00 H new ATOM 0 HG3 PRO A 311 3.451 -5.491 12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.508 -4.207 10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 311 4.282 -5.393 9.988 1.00 0.00 H new ATOM 391 N LEU A 312 1.568 -0.954 10.538 1.00 0.00 N ATOM 392 CA LEU A 312 1.166 0.454 10.348 1.00 0.00 C ATOM 393 C LEU A 312 -0.347 0.703 10.490 1.00 0.00 C ATOM 394 O LEU A 312 -1.152 -0.228 10.520 1.00 0.00 O ATOM 395 CB LEU A 312 1.558 0.913 8.939 1.00 0.00 C ATOM 396 CG LEU A 312 2.954 0.552 8.438 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.135 1.257 7.119 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.132 0.991 9.288 1.00 0.00 C ATOM 0 H LEU A 312 1.076 -1.584 9.904 1.00 0.00 H new ATOM 0 HA LEU A 312 1.678 1.009 11.134 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.833 0.500 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.458 1.998 8.900 1.00 0.00 H new ATOM 0 HG LEU A 312 2.974 -0.538 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.123 1.030 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.372 0.919 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.042 2.333 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.061 0.670 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.129 2.077 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.054 0.542 10.278 1.00 0.00 H new ATOM 410 N ASN A 313 -0.727 1.984 10.484 1.00 0.00 N ATOM 411 CA ASN A 313 -2.088 2.528 10.437 1.00 0.00 C ATOM 412 C ASN A 313 -2.138 3.802 9.536 1.00 0.00 C ATOM 413 O ASN A 313 -1.925 4.923 10.009 1.00 0.00 O ATOM 414 CB ASN A 313 -2.602 2.813 11.865 1.00 0.00 C ATOM 415 CG ASN A 313 -3.510 1.743 12.456 1.00 0.00 C ATOM 416 OD1 ASN A 313 -4.479 2.038 13.143 1.00 0.00 O ATOM 417 ND2 ASN A 313 -3.258 0.476 12.222 1.00 0.00 N ATOM 0 H ASN A 313 -0.032 2.730 10.514 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.751 1.787 9.990 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.743 2.941 12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -3.142 3.760 11.857 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -3.866 -0.245 12.611 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -2.455 0.213 11.651 1.00 0.00 H new ATOM 424 N PRO A 314 -2.436 3.657 8.228 1.00 0.00 N ATOM 425 CA PRO A 314 -3.029 4.680 7.386 1.00 0.00 C ATOM 426 C PRO A 314 -4.361 5.042 7.998 1.00 0.00 C ATOM 427 O PRO A 314 -5.320 4.268 8.041 1.00 0.00 O ATOM 428 CB PRO A 314 -3.175 4.139 5.975 1.00 0.00 C ATOM 429 CG PRO A 314 -2.848 2.670 6.099 1.00 0.00 C ATOM 430 CD PRO A 314 -2.666 2.403 7.596 1.00 0.00 C ATOM 0 HA PRO A 314 -2.409 5.574 7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.185 4.290 5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -2.496 4.640 5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.649 2.056 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -1.942 2.424 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.552 1.921 8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.827 1.728 7.766 1.00 0.00 H new ATOM 438 N VAL A 315 -4.373 6.262 8.493 1.00 0.00 N ATOM 439 CA VAL A 315 -5.555 6.915 9.042 1.00 0.00 C ATOM 440 C VAL A 315 -6.608 7.228 7.968 1.00 0.00 C ATOM 441 O VAL A 315 -7.721 7.642 8.297 1.00 0.00 O ATOM 442 CB VAL A 315 -5.107 8.122 9.874 1.00 0.00 C ATOM 443 CG1 VAL A 315 -4.291 7.559 11.044 1.00 0.00 C ATOM 444 CG2 VAL A 315 -4.228 9.119 9.107 1.00 0.00 C ATOM 0 H VAL A 315 -3.539 6.848 8.528 1.00 0.00 H new ATOM 0 HA VAL A 315 -6.080 6.233 9.711 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.996 8.674 10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.944 8.379 11.673 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.916 6.888 11.634 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.432 7.010 10.658 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.954 9.943 9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.326 8.616 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.780 9.507 8.251 1.00 0.00 H new ATOM 454 N ARG A 316 -6.284 6.943 6.696 1.00 0.00 N ATOM 455 CA ARG A 316 -7.199 6.875 5.548 1.00 0.00 C ATOM 456 C ARG A 316 -6.651 5.903 4.480 1.00 0.00 C ATOM 457 O ARG A 316 -5.442 5.882 4.281 1.00 0.00 O ATOM 458 CB ARG A 316 -7.295 8.326 5.038 1.00 0.00 C ATOM 459 CG ARG A 316 -8.312 8.667 3.925 1.00 0.00 C ATOM 460 CD ARG A 316 -8.014 8.249 2.471 1.00 0.00 C ATOM 461 NE ARG A 316 -6.871 8.956 1.862 1.00 0.00 N ATOM 462 CZ ARG A 316 -6.076 8.526 0.894 1.00 0.00 C ATOM 463 NH1 ARG A 316 -6.122 7.326 0.421 1.00 0.00 N ATOM 464 NH2 ARG A 316 -5.203 9.312 0.358 1.00 0.00 N ATOM 0 H ARG A 316 -5.321 6.743 6.427 1.00 0.00 H new ATOM 0 HA ARG A 316 -8.185 6.489 5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -7.521 8.961 5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.307 8.614 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -9.265 8.219 4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.454 9.748 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -7.819 7.177 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -8.902 8.426 1.864 1.00 0.00 H new ATOM 0 HE ARG A 316 -6.669 9.886 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -6.795 6.656 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -5.485 7.047 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -5.120 10.276 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -4.597 8.968 -0.387 1.00 0.00 H new ATOM 478 N VAL A 317 -7.476 5.151 3.736 1.00 0.00 N ATOM 479 CA VAL A 317 -7.013 4.310 2.591 1.00 0.00 C ATOM 480 C VAL A 317 -7.894 4.492 1.340 1.00 0.00 C ATOM 481 O VAL A 317 -9.106 4.670 1.463 1.00 0.00 O ATOM 482 CB VAL A 317 -6.986 2.790 2.923 1.00 0.00 C ATOM 483 CG1 VAL A 317 -5.902 2.057 2.117 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.727 2.397 4.382 1.00 0.00 C ATOM 0 H VAL A 317 -8.481 5.100 3.900 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.999 4.657 2.394 1.00 0.00 H new ATOM 0 HB VAL A 317 -8.006 2.500 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -5.911 0.998 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.099 2.174 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.925 2.479 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.735 1.311 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.756 2.781 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.506 2.820 5.016 1.00 0.00 H new ATOM 494 N HIS A 318 -7.309 4.411 0.137 1.00 0.00 N ATOM 495 CA HIS A 318 -8.014 4.246 -1.152 1.00 0.00 C ATOM 496 C HIS A 318 -7.369 3.096 -1.945 1.00 0.00 C ATOM 497 O HIS A 318 -6.160 3.070 -2.149 1.00 0.00 O ATOM 498 CB HIS A 318 -8.052 5.593 -1.908 1.00 0.00 C ATOM 499 CG HIS A 318 -7.815 5.604 -3.401 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.758 5.758 -4.395 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.591 5.741 -4.003 1.00 0.00 C ATOM 502 CE1 HIS A 318 -8.116 5.994 -5.554 1.00 0.00 C ATOM 503 NE2 HIS A 318 -6.786 5.973 -5.369 1.00 0.00 N ATOM 0 H HIS A 318 -6.296 4.460 0.025 1.00 0.00 H new ATOM 0 HA HIS A 318 -9.055 3.964 -0.993 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -9.027 6.044 -1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -7.308 6.247 -1.452 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -9.769 5.703 -4.273 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.634 5.680 -3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -8.603 6.175 -6.501 1.00 0.00 H new ATOM 511 N ILE A 319 -8.181 2.122 -2.368 1.00 0.00 N ATOM 512 CA ILE A 319 -7.777 0.737 -2.713 1.00 0.00 C ATOM 513 C ILE A 319 -8.145 0.354 -4.161 1.00 0.00 C ATOM 514 O ILE A 319 -8.470 -0.766 -4.539 1.00 0.00 O ATOM 515 CB ILE A 319 -8.382 -0.201 -1.653 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.013 -1.669 -1.854 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.916 -0.094 -1.533 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.540 -1.977 -2.143 1.00 0.00 C ATOM 0 H ILE A 319 -9.182 2.274 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.691 0.646 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.932 0.152 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.306 -2.219 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.610 -2.060 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.270 -0.784 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.189 0.925 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.374 -0.347 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.410 -3.052 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.235 -1.468 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -5.926 -1.630 -1.312 1.00 0.00 H new ATOM 530 N GLU A 320 -8.184 1.376 -4.978 1.00 0.00 N ATOM 531 CA GLU A 320 -8.952 1.439 -6.218 1.00 0.00 C ATOM 532 C GLU A 320 -8.516 0.454 -7.321 1.00 0.00 C ATOM 533 O GLU A 320 -7.324 0.301 -7.607 1.00 0.00 O ATOM 534 CB GLU A 320 -8.871 2.885 -6.707 1.00 0.00 C ATOM 535 CG GLU A 320 -10.173 3.399 -7.329 1.00 0.00 C ATOM 536 CD GLU A 320 -11.268 3.558 -6.253 1.00 0.00 C ATOM 537 OE1 GLU A 320 -11.222 4.538 -5.469 1.00 0.00 O ATOM 538 OE2 GLU A 320 -12.172 2.690 -6.175 1.00 0.00 O ATOM 0 H GLU A 320 -7.660 2.232 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.973 1.126 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.600 3.528 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -8.071 2.966 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -9.995 4.357 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -10.512 2.706 -8.100 1.00 0.00 H new ATOM 545 N ILE A 321 -9.510 -0.185 -7.958 1.00 0.00 N ATOM 546 CA ILE A 321 -9.405 -0.977 -9.199 1.00 0.00 C ATOM 547 C ILE A 321 -10.797 -1.351 -9.744 1.00 0.00 C ATOM 548 O ILE A 321 -11.812 -0.848 -9.263 1.00 0.00 O ATOM 549 CB ILE A 321 -8.470 -2.202 -9.005 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.589 -2.457 -10.236 1.00 0.00 C ATOM 551 CG2 ILE A 321 -9.152 -3.529 -8.707 1.00 0.00 C ATOM 552 CD1 ILE A 321 -6.512 -1.420 -10.488 1.00 0.00 C ATOM 0 H ILE A 321 -10.465 -0.163 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.939 -0.358 -9.965 1.00 0.00 H new ATOM 0 HB ILE A 321 -7.898 -1.902 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -7.113 -3.432 -10.126 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -8.230 -2.512 -11.116 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -8.398 -4.308 -8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -9.728 -3.443 -7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -9.819 -3.788 -9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -5.946 -1.692 -11.379 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -6.974 -0.444 -10.636 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -5.840 -1.377 -9.631 1.00 0.00 H new ATOM 564 N GLY A 322 -10.819 -2.253 -10.731 1.00 0.00 N ATOM 565 CA GLY A 322 -11.963 -2.833 -11.429 1.00 0.00 C ATOM 566 C GLY A 322 -13.298 -2.886 -10.653 1.00 0.00 C ATOM 567 O GLY A 322 -14.148 -2.014 -10.852 1.00 0.00 O ATOM 0 H GLY A 322 -9.944 -2.631 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -12.125 -2.266 -12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -11.701 -3.849 -11.725 1.00 0.00 H new ATOM 571 N PRO A 323 -13.500 -3.897 -9.785 1.00 0.00 N ATOM 572 CA PRO A 323 -14.719 -4.062 -8.988 1.00 0.00 C ATOM 573 C PRO A 323 -14.725 -3.216 -7.698 1.00 0.00 C ATOM 574 O PRO A 323 -15.645 -2.433 -7.460 1.00 0.00 O ATOM 575 CB PRO A 323 -14.755 -5.565 -8.662 1.00 0.00 C ATOM 576 CG PRO A 323 -13.291 -6.001 -8.679 1.00 0.00 C ATOM 577 CD PRO A 323 -12.663 -5.084 -9.713 1.00 0.00 C ATOM 0 HA PRO A 323 -15.595 -3.718 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -15.211 -5.748 -7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -15.341 -6.116 -9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -12.825 -5.882 -7.701 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -13.187 -7.050 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.644 -4.822 -9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -12.607 -5.577 -10.684 1.00 0.00 H new ATOM 585 N ASP A 324 -13.711 -3.410 -6.848 1.00 0.00 N ATOM 586 CA ASP A 324 -13.652 -2.974 -5.439 1.00 0.00 C ATOM 587 C ASP A 324 -12.199 -2.990 -4.882 1.00 0.00 C ATOM 588 O ASP A 324 -11.979 -2.870 -3.678 1.00 0.00 O ATOM 589 CB ASP A 324 -14.582 -3.925 -4.649 1.00 0.00 C ATOM 590 CG ASP A 324 -14.759 -3.589 -3.158 1.00 0.00 C ATOM 591 OD1 ASP A 324 -15.161 -2.448 -2.828 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.556 -4.505 -2.320 1.00 0.00 O ATOM 0 H ASP A 324 -12.863 -3.900 -7.134 1.00 0.00 H new ATOM 0 HA ASP A 324 -13.981 -1.939 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.563 -3.922 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -14.191 -4.939 -4.731 1.00 0.00 H new ATOM 597 N GLY A 325 -11.200 -3.213 -5.754 1.00 0.00 N ATOM 598 CA GLY A 325 -9.778 -3.401 -5.404 1.00 0.00 C ATOM 599 C GLY A 325 -9.162 -4.743 -5.780 1.00 0.00 C ATOM 600 O GLY A 325 -8.088 -5.070 -5.281 1.00 0.00 O ATOM 0 H GLY A 325 -11.365 -3.270 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -9.200 -2.612 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.669 -3.264 -4.328 1.00 0.00 H new ATOM 604 N ARG A 326 -9.839 -5.553 -6.611 1.00 0.00 N ATOM 605 CA ARG A 326 -9.633 -7.005 -6.651 1.00 0.00 C ATOM 606 C ARG A 326 -9.185 -7.511 -8.035 1.00 0.00 C ATOM 607 O ARG A 326 -9.674 -8.536 -8.505 1.00 0.00 O ATOM 608 CB ARG A 326 -10.873 -7.756 -6.098 1.00 0.00 C ATOM 609 CG ARG A 326 -11.160 -7.626 -4.589 1.00 0.00 C ATOM 610 CD ARG A 326 -11.508 -6.203 -4.140 1.00 0.00 C ATOM 611 NE ARG A 326 -12.334 -6.143 -2.922 1.00 0.00 N ATOM 612 CZ ARG A 326 -12.019 -6.455 -1.682 1.00 0.00 C ATOM 613 NH1 ARG A 326 -10.877 -6.980 -1.345 1.00 0.00 N ATOM 614 NH2 ARG A 326 -12.886 -6.197 -0.751 1.00 0.00 N ATOM 0 H ARG A 326 -10.541 -5.218 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 326 -8.798 -7.233 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -11.751 -7.404 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -10.758 -8.815 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -11.984 -8.290 -4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -10.287 -7.968 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -10.584 -5.652 -3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -12.035 -5.697 -4.949 1.00 0.00 H new ATOM 0 HE ARG A 326 -13.289 -5.812 -3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -10.173 -7.170 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -10.686 -7.202 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -13.779 -5.766 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -12.675 -6.426 0.220 1.00 0.00 H new ATOM 628 N VAL A 327 -8.286 -6.783 -8.723 1.00 0.00 N ATOM 629 CA VAL A 327 -7.753 -7.191 -10.047 1.00 0.00 C ATOM 630 C VAL A 327 -6.241 -7.027 -10.140 1.00 0.00 C ATOM 631 O VAL A 327 -5.493 -7.995 -10.261 1.00 0.00 O ATOM 632 CB VAL A 327 -8.482 -6.422 -11.173 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.897 -6.626 -12.570 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.956 -6.814 -11.197 1.00 0.00 C ATOM 0 H VAL A 327 -7.907 -5.899 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.949 -8.256 -10.171 1.00 0.00 H new ATOM 0 HB VAL A 327 -8.349 -5.367 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.473 -6.049 -13.293 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.859 -6.292 -12.582 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.941 -7.683 -12.832 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -10.465 -6.269 -11.992 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -10.045 -7.885 -11.377 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -10.414 -6.568 -10.239 1.00 0.00 H new ATOM 644 N THR A 328 -5.822 -5.770 -10.086 1.00 0.00 N ATOM 645 CA THR A 328 -4.462 -5.301 -10.418 1.00 0.00 C ATOM 646 C THR A 328 -4.020 -4.077 -9.581 1.00 0.00 C ATOM 647 O THR A 328 -3.052 -3.401 -9.925 1.00 0.00 O ATOM 648 CB THR A 328 -4.375 -5.067 -11.943 1.00 0.00 C ATOM 649 OG1 THR A 328 -3.048 -4.814 -12.357 1.00 0.00 O ATOM 650 CG2 THR A 328 -5.273 -3.940 -12.474 1.00 0.00 C ATOM 0 H THR A 328 -6.438 -5.009 -9.799 1.00 0.00 H new ATOM 0 HA THR A 328 -3.745 -6.075 -10.144 1.00 0.00 H new ATOM 0 HB THR A 328 -4.741 -6.001 -12.370 1.00 0.00 H new ATOM 0 HG1 THR A 328 -2.608 -4.230 -11.705 1.00 0.00 H new ATOM 0 HG21 THR A 328 -5.144 -3.850 -13.553 1.00 0.00 H new ATOM 0 HG22 THR A 328 -6.315 -4.169 -12.251 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.998 -3.000 -11.996 1.00 0.00 H new ATOM 658 N GLY A 329 -4.784 -3.789 -8.513 1.00 0.00 N ATOM 659 CA GLY A 329 -4.845 -2.614 -7.629 1.00 0.00 C ATOM 660 C GLY A 329 -3.787 -1.510 -7.730 1.00 0.00 C ATOM 661 O GLY A 329 -2.574 -1.733 -7.739 1.00 0.00 O ATOM 0 H GLY A 329 -5.472 -4.477 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.816 -2.144 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -4.829 -2.982 -6.603 1.00 0.00 H new ATOM 665 N GLU A 330 -4.300 -0.282 -7.745 1.00 0.00 N ATOM 666 CA GLU A 330 -3.586 0.953 -8.066 1.00 0.00 C ATOM 667 C GLU A 330 -4.124 2.077 -7.159 1.00 0.00 C ATOM 668 O GLU A 330 -5.170 2.677 -7.412 1.00 0.00 O ATOM 669 CB GLU A 330 -3.773 1.235 -9.565 1.00 0.00 C ATOM 670 CG GLU A 330 -2.851 0.361 -10.425 1.00 0.00 C ATOM 671 CD GLU A 330 -2.942 0.731 -11.918 1.00 0.00 C ATOM 672 OE1 GLU A 330 -3.963 0.416 -12.574 1.00 0.00 O ATOM 673 OE2 GLU A 330 -1.976 1.331 -12.449 1.00 0.00 O ATOM 0 H GLU A 330 -5.280 -0.112 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.515 0.877 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -4.811 1.053 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -3.569 2.287 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -1.822 0.474 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -3.117 -0.688 -10.293 1.00 0.00 H new ATOM 680 N ALA A 331 -3.435 2.282 -6.036 1.00 0.00 N ATOM 681 CA ALA A 331 -4.000 2.688 -4.750 1.00 0.00 C ATOM 682 C ALA A 331 -3.109 3.708 -4.002 1.00 0.00 C ATOM 683 O ALA A 331 -1.975 3.974 -4.410 1.00 0.00 O ATOM 684 CB ALA A 331 -4.136 1.372 -3.966 1.00 0.00 C ATOM 0 H ALA A 331 -2.423 2.164 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.952 3.204 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -4.555 1.577 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -4.796 0.693 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.154 0.912 -3.854 1.00 0.00 H new ATOM 690 N ASP A 332 -3.591 4.256 -2.881 1.00 0.00 N ATOM 691 CA ASP A 332 -2.763 4.935 -1.875 1.00 0.00 C ATOM 692 C ASP A 332 -3.367 4.939 -0.479 1.00 0.00 C ATOM 693 O ASP A 332 -4.541 4.646 -0.251 1.00 0.00 O ATOM 694 CB ASP A 332 -2.388 6.387 -2.236 1.00 0.00 C ATOM 695 CG ASP A 332 -3.406 7.459 -1.789 1.00 0.00 C ATOM 696 OD1 ASP A 332 -4.633 7.268 -1.922 1.00 0.00 O ATOM 697 OD2 ASP A 332 -2.995 8.491 -1.216 1.00 0.00 O ATOM 0 H ASP A 332 -4.583 4.241 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.858 4.327 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -1.421 6.618 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.263 6.455 -3.317 1.00 0.00 H new ATOM 702 N VAL A 333 -2.520 5.303 0.471 1.00 0.00 N ATOM 703 CA VAL A 333 -2.784 5.145 1.890 1.00 0.00 C ATOM 704 C VAL A 333 -2.178 6.315 2.621 1.00 0.00 C ATOM 705 O VAL A 333 -1.071 6.752 2.323 1.00 0.00 O ATOM 706 CB VAL A 333 -2.232 3.790 2.374 1.00 0.00 C ATOM 707 CG1 VAL A 333 -2.318 2.672 1.343 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.770 3.783 2.764 1.00 0.00 C ATOM 0 H VAL A 333 -1.613 5.724 0.272 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.855 5.138 2.092 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.880 3.625 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.908 1.755 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.360 2.511 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.747 2.950 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.485 2.782 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.163 4.073 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.607 4.489 3.578 1.00 0.00 H new ATOM 718 N GLU A 334 -2.935 6.853 3.553 1.00 0.00 N ATOM 719 CA GLU A 334 -2.673 8.152 4.148 1.00 0.00 C ATOM 720 C GLU A 334 -2.293 7.984 5.613 1.00 0.00 C ATOM 721 O GLU A 334 -3.121 7.600 6.433 1.00 0.00 O ATOM 722 CB GLU A 334 -3.906 9.034 3.985 1.00 0.00 C ATOM 723 CG GLU A 334 -3.647 10.301 3.158 1.00 0.00 C ATOM 724 CD GLU A 334 -4.835 11.271 3.116 1.00 0.00 C ATOM 725 OE1 GLU A 334 -5.102 11.930 4.142 1.00 0.00 O ATOM 726 OE2 GLU A 334 -5.493 11.404 2.059 1.00 0.00 O ATOM 0 H GLU A 334 -3.765 6.394 3.927 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.836 8.634 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.697 8.455 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.270 9.321 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -2.781 10.820 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.391 10.012 2.139 1.00 0.00 H new ATOM 733 N PHE A 335 -1.021 8.201 5.925 1.00 0.00 N ATOM 734 CA PHE A 335 -0.359 7.668 7.114 1.00 0.00 C ATOM 735 C PHE A 335 -0.089 8.711 8.214 1.00 0.00 C ATOM 736 O PHE A 335 -0.229 9.916 8.010 1.00 0.00 O ATOM 737 CB PHE A 335 0.984 7.040 6.694 1.00 0.00 C ATOM 738 CG PHE A 335 0.977 5.601 6.223 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.348 4.593 6.967 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.746 5.238 5.111 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.399 3.261 6.534 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.790 3.909 4.659 1.00 0.00 C ATOM 743 CZ PHE A 335 1.067 2.924 5.348 1.00 0.00 C ATOM 0 H PHE A 335 -0.403 8.767 5.344 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.044 6.936 7.543 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.404 7.651 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.666 7.111 7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.177 4.844 7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.316 5.994 4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.080 2.489 7.118 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.375 3.648 3.789 1.00 0.00 H new ATOM 0 HZ PHE A 335 1.025 1.914 4.968 1.00 0.00 H new ATOM 753 N ALA A 336 0.423 8.235 9.357 1.00 0.00 N ATOM 754 CA ALA A 336 1.055 9.029 10.393 1.00 0.00 C ATOM 755 C ALA A 336 2.566 9.226 10.144 1.00 0.00 C ATOM 756 O ALA A 336 3.422 8.822 10.936 1.00 0.00 O ATOM 757 CB ALA A 336 0.875 8.363 11.743 1.00 0.00 C ATOM 0 H ALA A 336 0.402 7.241 9.585 1.00 0.00 H new ATOM 0 HA ALA A 336 0.573 10.006 10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.353 8.968 12.514 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.188 8.269 11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.330 7.373 11.724 1.00 0.00 H new ATOM 763 N THR A 337 2.917 9.766 8.990 1.00 0.00 N ATOM 764 CA THR A 337 4.065 10.626 8.691 1.00 0.00 C ATOM 765 C THR A 337 4.978 9.969 7.680 1.00 0.00 C ATOM 766 O THR A 337 4.760 8.812 7.311 1.00 0.00 O ATOM 767 CB THR A 337 4.846 11.137 9.908 1.00 0.00 C ATOM 768 OG1 THR A 337 5.532 10.164 10.638 1.00 0.00 O ATOM 769 CG2 THR A 337 4.011 12.057 10.784 1.00 0.00 C ATOM 0 H THR A 337 2.356 9.602 8.154 1.00 0.00 H new ATOM 0 HA THR A 337 3.633 11.529 8.259 1.00 0.00 H new ATOM 0 HB THR A 337 5.647 11.737 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.896 9.654 11.182 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.608 12.392 11.632 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.690 12.921 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 337 3.136 11.518 11.147 1.00 0.00 H new ATOM 777 N HIS A 338 6.022 10.683 7.250 1.00 0.00 N ATOM 778 CA HIS A 338 7.088 10.054 6.480 1.00 0.00 C ATOM 779 C HIS A 338 7.603 8.862 7.262 1.00 0.00 C ATOM 780 O HIS A 338 7.815 7.824 6.696 1.00 0.00 O ATOM 781 CB HIS A 338 8.208 11.054 6.182 1.00 0.00 C ATOM 782 CG HIS A 338 9.355 10.539 5.352 1.00 0.00 C ATOM 783 ND1 HIS A 338 9.556 10.765 4.007 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.474 9.907 5.825 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.766 10.282 3.680 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.366 9.741 4.756 1.00 0.00 N ATOM 0 H HIS A 338 6.148 11.681 7.420 1.00 0.00 H new ATOM 0 HA HIS A 338 6.703 9.716 5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.773 11.913 5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 338 8.606 11.415 7.130 1.00 0.00 H new ATOM 0 HD1 HIS A 338 8.900 11.220 3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.641 9.591 6.844 1.00 0.00 H new ATOM 0 HE1 HIS A 338 11.197 10.322 2.691 1.00 0.00 H new ATOM 794 N GLU A 339 7.700 8.964 8.574 1.00 0.00 N ATOM 795 CA GLU A 339 8.187 7.943 9.484 1.00 0.00 C ATOM 796 C GLU A 339 7.255 6.710 9.583 1.00 0.00 C ATOM 797 O GLU A 339 7.763 5.586 9.614 1.00 0.00 O ATOM 798 CB GLU A 339 8.524 8.628 10.814 1.00 0.00 C ATOM 799 CG GLU A 339 9.577 9.732 10.575 1.00 0.00 C ATOM 800 CD GLU A 339 9.887 10.524 11.858 1.00 0.00 C ATOM 801 OE1 GLU A 339 10.697 10.054 12.695 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.330 11.637 12.034 1.00 0.00 O ATOM 0 H GLU A 339 7.424 9.815 9.064 1.00 0.00 H new ATOM 0 HA GLU A 339 9.101 7.492 9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.623 9.059 11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.905 7.896 11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.495 9.281 10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.217 10.415 9.806 1.00 0.00 H new ATOM 809 N GLU A 340 5.920 6.849 9.494 1.00 0.00 N ATOM 810 CA GLU A 340 5.029 5.707 9.239 1.00 0.00 C ATOM 811 C GLU A 340 5.232 5.098 7.840 1.00 0.00 C ATOM 812 O GLU A 340 5.397 3.889 7.670 1.00 0.00 O ATOM 813 CB GLU A 340 3.583 6.158 9.452 1.00 0.00 C ATOM 814 CG GLU A 340 2.482 5.110 9.283 1.00 0.00 C ATOM 815 CD GLU A 340 2.347 4.213 10.530 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.361 3.827 11.158 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.193 3.921 10.914 1.00 0.00 O ATOM 0 H GLU A 340 5.436 7.741 9.595 1.00 0.00 H new ATOM 0 HA GLU A 340 5.274 4.911 9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.504 6.569 10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.380 6.974 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.532 5.609 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.700 4.491 8.412 1.00 0.00 H new ATOM 824 N ALA A 341 5.266 5.955 6.827 1.00 0.00 N ATOM 825 CA ALA A 341 5.350 5.601 5.416 1.00 0.00 C ATOM 826 C ALA A 341 6.695 5.009 4.957 1.00 0.00 C ATOM 827 O ALA A 341 6.758 4.180 4.056 1.00 0.00 O ATOM 828 CB ALA A 341 5.100 6.910 4.694 1.00 0.00 C ATOM 0 H ALA A 341 5.234 6.964 6.974 1.00 0.00 H new ATOM 0 HA ALA A 341 4.634 4.807 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 341 5.143 6.746 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 341 4.115 7.292 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.861 7.635 4.981 1.00 0.00 H new ATOM 834 N VAL A 342 7.781 5.436 5.583 1.00 0.00 N ATOM 835 CA VAL A 342 9.171 5.061 5.321 1.00 0.00 C ATOM 836 C VAL A 342 9.515 3.772 6.046 1.00 0.00 C ATOM 837 O VAL A 342 10.308 2.964 5.564 1.00 0.00 O ATOM 838 CB VAL A 342 10.119 6.177 5.779 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.359 6.242 7.272 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.474 6.094 5.122 1.00 0.00 C ATOM 0 H VAL A 342 7.713 6.107 6.348 1.00 0.00 H new ATOM 0 HA VAL A 342 9.289 4.910 4.248 1.00 0.00 H new ATOM 0 HB VAL A 342 9.585 7.076 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 342 11.041 7.062 7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.412 6.408 7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.797 5.303 7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 342 12.104 6.907 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.939 5.139 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.360 6.175 4.041 1.00 0.00 H new ATOM 850 N ALA A 343 8.848 3.540 7.177 1.00 0.00 N ATOM 851 CA ALA A 343 8.816 2.201 7.735 1.00 0.00 C ATOM 852 C ALA A 343 8.055 1.244 6.798 1.00 0.00 C ATOM 853 O ALA A 343 8.417 0.072 6.692 1.00 0.00 O ATOM 854 CB ALA A 343 8.202 2.257 9.127 1.00 0.00 C ATOM 0 H ALA A 343 8.337 4.245 7.708 1.00 0.00 H new ATOM 0 HA ALA A 343 9.829 1.809 7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.174 1.254 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.803 2.906 9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.188 2.651 9.062 1.00 0.00 H new ATOM 860 N ALA A 344 7.069 1.752 6.046 1.00 0.00 N ATOM 861 CA ALA A 344 6.416 0.990 4.986 1.00 0.00 C ATOM 862 C ALA A 344 7.343 0.704 3.772 1.00 0.00 C ATOM 863 O ALA A 344 7.301 -0.374 3.178 1.00 0.00 O ATOM 864 CB ALA A 344 5.140 1.714 4.547 1.00 0.00 C ATOM 0 H ALA A 344 6.707 2.699 6.159 1.00 0.00 H new ATOM 0 HA ALA A 344 6.162 0.013 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.653 1.145 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.464 1.807 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.394 2.707 4.176 1.00 0.00 H new ATOM 870 N MET A 345 8.217 1.662 3.420 1.00 0.00 N ATOM 871 CA MET A 345 9.243 1.607 2.347 1.00 0.00 C ATOM 872 C MET A 345 10.350 0.565 2.529 1.00 0.00 C ATOM 873 O MET A 345 11.251 0.445 1.695 1.00 0.00 O ATOM 874 CB MET A 345 9.902 2.989 2.190 1.00 0.00 C ATOM 875 CG MET A 345 9.062 4.106 1.560 1.00 0.00 C ATOM 876 SD MET A 345 8.183 3.726 0.026 1.00 0.00 S ATOM 877 CE MET A 345 6.819 2.698 0.639 1.00 0.00 C ATOM 0 H MET A 345 8.232 2.559 3.906 1.00 0.00 H new ATOM 0 HA MET A 345 8.690 1.301 1.459 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.221 3.324 3.177 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.803 2.866 1.589 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.327 4.431 2.297 1.00 0.00 H new ATOM 0 HG3 MET A 345 9.719 4.954 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 345 5.924 2.890 0.047 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.091 1.646 0.556 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.622 2.940 1.683 1.00 0.00 H new ATOM 887 N SER A 346 10.314 -0.190 3.615 1.00 0.00 N ATOM 888 CA SER A 346 11.476 -0.918 4.120 1.00 0.00 C ATOM 889 C SER A 346 11.688 -2.290 3.460 1.00 0.00 C ATOM 890 O SER A 346 12.706 -2.948 3.696 1.00 0.00 O ATOM 891 CB SER A 346 11.288 -1.017 5.632 1.00 0.00 C ATOM 892 OG SER A 346 10.254 -1.923 5.973 1.00 0.00 O ATOM 0 H SER A 346 9.473 -0.318 4.178 1.00 0.00 H new ATOM 0 HA SER A 346 12.390 -0.380 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 346 12.221 -1.339 6.094 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.056 -0.031 6.035 1.00 0.00 H new ATOM 0 HG SER A 346 9.472 -1.423 6.287 1.00 0.00 H new ATOM 898 N LYS A 347 10.710 -2.727 2.651 1.00 0.00 N ATOM 899 CA LYS A 347 10.443 -4.145 2.360 1.00 0.00 C ATOM 900 C LYS A 347 9.596 -4.414 1.113 1.00 0.00 C ATOM 901 O LYS A 347 9.001 -5.474 1.019 1.00 0.00 O ATOM 902 CB LYS A 347 9.887 -4.750 3.652 1.00 0.00 C ATOM 903 CG LYS A 347 8.578 -4.133 4.162 1.00 0.00 C ATOM 904 CD LYS A 347 7.427 -4.899 3.564 1.00 0.00 C ATOM 905 CE LYS A 347 6.221 -4.448 4.345 1.00 0.00 C ATOM 906 NZ LYS A 347 6.243 -4.950 5.743 1.00 0.00 N ATOM 0 H LYS A 347 10.071 -2.093 2.172 1.00 0.00 H new ATOM 0 HA LYS A 347 11.371 -4.640 2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.728 -5.817 3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 347 10.642 -4.653 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.537 -4.176 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 347 8.520 -3.081 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.315 -4.681 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 347 7.578 -5.975 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.180 -3.359 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 347 5.316 -4.798 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.336 -5.409 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 7.015 -5.638 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 6.394 -4.154 6.395 1.00 0.00 H new ATOM 920 N ASP A 348 9.533 -3.467 0.178 1.00 0.00 N ATOM 921 CA ASP A 348 8.779 -3.427 -1.096 1.00 0.00 C ATOM 922 C ASP A 348 8.178 -4.722 -1.729 1.00 0.00 C ATOM 923 O ASP A 348 7.086 -4.684 -2.295 1.00 0.00 O ATOM 924 CB ASP A 348 9.668 -2.708 -2.127 1.00 0.00 C ATOM 925 CG ASP A 348 10.867 -3.532 -2.649 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.312 -4.504 -1.997 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.372 -3.231 -3.753 1.00 0.00 O ATOM 0 H ASP A 348 10.067 -2.606 0.299 1.00 0.00 H new ATOM 0 HA ASP A 348 7.858 -2.916 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.050 -2.417 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.046 -1.789 -1.679 1.00 0.00 H new ATOM 932 N ARG A 349 8.857 -5.871 -1.639 1.00 0.00 N ATOM 933 CA ARG A 349 8.504 -7.220 -2.131 1.00 0.00 C ATOM 934 C ARG A 349 7.064 -7.677 -1.912 1.00 0.00 C ATOM 935 O ARG A 349 6.567 -8.584 -2.571 1.00 0.00 O ATOM 936 CB ARG A 349 9.367 -8.263 -1.386 1.00 0.00 C ATOM 937 CG ARG A 349 10.876 -8.057 -1.405 1.00 0.00 C ATOM 938 CD ARG A 349 11.356 -8.189 -2.843 1.00 0.00 C ATOM 939 NE ARG A 349 11.434 -6.887 -3.536 1.00 0.00 N ATOM 940 CZ ARG A 349 11.537 -6.697 -4.838 1.00 0.00 C ATOM 941 NH1 ARG A 349 11.441 -7.678 -5.688 1.00 0.00 N ATOM 942 NH2 ARG A 349 11.726 -5.504 -5.318 1.00 0.00 N ATOM 0 H ARG A 349 9.763 -5.887 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 349 8.668 -7.150 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 349 9.042 -8.289 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 349 9.154 -9.244 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 349 11.130 -7.074 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 349 11.368 -8.794 -0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 349 12.338 -8.661 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 349 10.680 -8.847 -3.389 1.00 0.00 H new ATOM 0 HE ARG A 349 11.405 -6.052 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 349 11.281 -8.628 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 349 11.525 -7.496 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 349 11.796 -4.706 -4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 349 11.804 -5.366 -6.326 1.00 0.00 H new ATOM 956 N ALA A 350 6.469 -7.283 -0.807 1.00 0.00 N ATOM 957 CA ALA A 350 6.348 -8.358 0.199 1.00 0.00 C ATOM 958 C ALA A 350 4.898 -8.840 0.422 1.00 0.00 C ATOM 959 O ALA A 350 4.529 -9.379 1.466 1.00 0.00 O ATOM 960 CB ALA A 350 7.041 -7.942 1.495 1.00 0.00 C ATOM 0 H ALA A 350 6.100 -6.360 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 350 6.861 -9.234 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.947 -8.741 2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.096 -7.752 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.575 -7.036 1.882 1.00 0.00 H new ATOM 966 N ASN A 351 4.069 -8.580 -0.578 1.00 0.00 N ATOM 967 CA ASN A 351 2.622 -8.448 -0.496 1.00 0.00 C ATOM 968 C ASN A 351 1.834 -9.585 -1.151 1.00 0.00 C ATOM 969 O ASN A 351 0.723 -9.924 -0.735 1.00 0.00 O ATOM 970 CB ASN A 351 2.386 -7.185 -1.326 1.00 0.00 C ATOM 971 CG ASN A 351 0.919 -6.934 -1.598 1.00 0.00 C ATOM 972 OD1 ASN A 351 0.396 -7.238 -2.649 1.00 0.00 O ATOM 973 ND2 ASN A 351 0.196 -6.415 -0.651 1.00 0.00 N ATOM 0 H ASN A 351 4.411 -8.447 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 351 2.293 -8.440 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.807 -6.327 -0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.918 -7.273 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -0.803 -6.266 -0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.627 -6.156 0.236 1.00 0.00 H new ATOM 980 N MET A 352 2.401 -10.097 -2.239 1.00 0.00 N ATOM 981 CA MET A 352 1.686 -10.884 -3.242 1.00 0.00 C ATOM 982 C MET A 352 2.451 -12.169 -3.517 1.00 0.00 C ATOM 983 O MET A 352 3.366 -12.223 -4.335 1.00 0.00 O ATOM 984 CB MET A 352 1.327 -10.056 -4.485 1.00 0.00 C ATOM 985 CG MET A 352 2.359 -9.135 -5.138 1.00 0.00 C ATOM 986 SD MET A 352 3.523 -9.869 -6.312 1.00 0.00 S ATOM 987 CE MET A 352 2.402 -10.083 -7.723 1.00 0.00 C ATOM 0 H MET A 352 3.391 -9.975 -2.454 1.00 0.00 H new ATOM 0 HA MET A 352 0.713 -11.182 -2.852 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.993 -10.756 -5.251 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.468 -9.439 -4.221 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.820 -8.340 -5.654 1.00 0.00 H new ATOM 0 HG3 MET A 352 2.937 -8.664 -4.343 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.507 -11.092 -8.121 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.374 -9.926 -7.398 1.00 0.00 H new ATOM 0 HE3 MET A 352 2.651 -9.359 -8.499 1.00 0.00 H new ATOM 997 N GLN A 353 2.123 -13.203 -2.739 1.00 0.00 N ATOM 998 CA GLN A 353 2.842 -14.483 -2.724 1.00 0.00 C ATOM 999 C GLN A 353 4.348 -14.316 -2.384 1.00 0.00 C ATOM 1000 O GLN A 353 5.156 -15.182 -2.725 1.00 0.00 O ATOM 1001 CB GLN A 353 2.601 -15.242 -4.058 1.00 0.00 C ATOM 1002 CG GLN A 353 1.239 -15.011 -4.754 1.00 0.00 C ATOM 1003 CD GLN A 353 0.016 -15.262 -3.868 1.00 0.00 C ATOM 1004 OE1 GLN A 353 0.009 -16.087 -2.963 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.071 -14.546 -4.084 1.00 0.00 N ATOM 0 H GLN A 353 1.337 -13.176 -2.090 1.00 0.00 H new ATOM 0 HA GLN A 353 2.438 -15.093 -1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 353 3.391 -14.963 -4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 353 2.708 -16.310 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 353 1.202 -13.984 -5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 353 1.178 -15.661 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -1.085 -13.854 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -1.897 -14.685 -3.502 1.00 0.00 H new ATOM 1014 N HIS A 354 4.721 -13.189 -1.750 1.00 0.00 N ATOM 1015 CA HIS A 354 6.060 -12.575 -1.741 1.00 0.00 C ATOM 1016 C HIS A 354 6.697 -12.440 -3.144 1.00 0.00 C ATOM 1017 O HIS A 354 7.146 -13.425 -3.737 1.00 0.00 O ATOM 1018 CB HIS A 354 6.974 -13.303 -0.745 1.00 0.00 C ATOM 1019 CG HIS A 354 8.331 -12.657 -0.630 1.00 0.00 C ATOM 1020 ND1 HIS A 354 9.456 -12.987 -1.352 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.666 -11.606 0.180 1.00 0.00 C ATOM 1022 CE1 HIS A 354 10.451 -12.164 -0.978 1.00 0.00 C ATOM 1023 NE2 HIS A 354 10.016 -11.305 -0.038 1.00 0.00 N ATOM 0 H HIS A 354 4.054 -12.651 -1.197 1.00 0.00 H new ATOM 0 HA HIS A 354 5.934 -11.547 -1.403 1.00 0.00 H new ATOM 0 HB2 HIS A 354 6.498 -13.319 0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 354 7.094 -14.340 -1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.005 -11.098 0.867 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.455 -12.189 -1.375 1.00 0.00 H new ATOM 0 HE2 HIS A 354 10.562 -10.578 0.424 1.00 0.00 H new ATOM 1031 N ARG A 355 6.756 -11.207 -3.677 1.00 0.00 N ATOM 1032 CA ARG A 355 7.393 -10.903 -4.980 1.00 0.00 C ATOM 1033 C ARG A 355 7.697 -9.413 -5.159 1.00 0.00 C ATOM 1034 O ARG A 355 8.861 -9.068 -4.970 1.00 0.00 O ATOM 1035 CB ARG A 355 6.588 -11.515 -6.156 1.00 0.00 C ATOM 1036 CG ARG A 355 7.411 -12.525 -6.984 1.00 0.00 C ATOM 1037 CD ARG A 355 6.596 -13.762 -7.385 1.00 0.00 C ATOM 1038 NE ARG A 355 6.350 -14.628 -6.214 1.00 0.00 N ATOM 1039 CZ ARG A 355 6.097 -15.922 -6.206 1.00 0.00 C ATOM 1040 NH1 ARG A 355 5.995 -16.622 -7.301 1.00 0.00 N ATOM 1041 NH2 ARG A 355 5.940 -16.543 -5.075 1.00 0.00 N ATOM 0 H ARG A 355 6.362 -10.386 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 355 8.369 -11.389 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.701 -12.012 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 355 6.242 -10.714 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 355 7.785 -12.034 -7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 355 8.281 -12.839 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG A 355 5.646 -13.452 -7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 355 7.130 -14.323 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 355 6.379 -14.170 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 355 6.112 -16.170 -8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 355 5.798 -17.622 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 355 6.013 -16.029 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 355 5.744 -17.544 -5.066 1.00 0.00 H new ATOM 1055 N TYR A 356 6.708 -8.546 -5.445 1.00 0.00 N ATOM 1056 CA TYR A 356 6.823 -7.070 -5.380 1.00 0.00 C ATOM 1057 C TYR A 356 5.546 -6.293 -5.703 1.00 0.00 C ATOM 1058 O TYR A 356 4.715 -6.714 -6.504 1.00 0.00 O ATOM 1059 CB TYR A 356 7.930 -6.593 -6.340 1.00 0.00 C ATOM 1060 CG TYR A 356 8.047 -5.105 -6.594 1.00 0.00 C ATOM 1061 CD1 TYR A 356 8.544 -4.254 -5.589 1.00 0.00 C ATOM 1062 CD2 TYR A 356 7.690 -4.583 -7.852 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.824 -2.908 -5.903 1.00 0.00 C ATOM 1064 CE2 TYR A 356 7.933 -3.231 -8.153 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.529 -2.396 -7.184 1.00 0.00 C ATOM 1066 OH TYR A 356 8.805 -1.097 -7.478 1.00 0.00 O ATOM 0 H TYR A 356 5.781 -8.857 -5.736 1.00 0.00 H new ATOM 0 HA TYR A 356 7.054 -6.858 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.886 -6.943 -5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.777 -7.086 -7.300 1.00 0.00 H new ATOM 0 HD1 TYR A 356 8.709 -4.627 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 356 7.228 -5.223 -8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 356 9.267 -2.265 -5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 356 7.665 -2.834 -9.121 1.00 0.00 H new ATOM 0 HH TYR A 356 8.541 -0.908 -8.402 1.00 0.00 H new ATOM 1076 N ILE A 357 5.481 -5.093 -5.115 1.00 0.00 N ATOM 1077 CA ILE A 357 4.534 -4.014 -5.384 1.00 0.00 C ATOM 1078 C ILE A 357 5.293 -2.690 -5.437 1.00 0.00 C ATOM 1079 O ILE A 357 6.206 -2.453 -4.647 1.00 0.00 O ATOM 1080 CB ILE A 357 3.525 -3.927 -4.232 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.726 -5.222 -4.053 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.582 -2.725 -4.375 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.798 -5.562 -5.221 1.00 0.00 C ATOM 0 H ILE A 357 6.142 -4.835 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 357 4.023 -4.208 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 357 4.118 -3.780 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.423 -6.047 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.131 -5.144 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 357 1.886 -2.706 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.165 -1.804 -4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 357 2.024 -2.810 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.273 -6.493 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.073 -4.759 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.386 -5.676 -6.132 1.00 0.00 H new ATOM 1095 N GLU A 358 4.837 -1.784 -6.295 1.00 0.00 N ATOM 1096 CA GLU A 358 5.322 -0.405 -6.381 1.00 0.00 C ATOM 1097 C GLU A 358 4.877 0.445 -5.185 1.00 0.00 C ATOM 1098 O GLU A 358 4.053 1.346 -5.322 1.00 0.00 O ATOM 1099 CB GLU A 358 4.920 0.244 -7.727 1.00 0.00 C ATOM 1100 CG GLU A 358 5.193 -0.620 -8.969 1.00 0.00 C ATOM 1101 CD GLU A 358 4.878 0.079 -10.312 1.00 0.00 C ATOM 1102 OE1 GLU A 358 4.455 1.261 -10.348 1.00 0.00 O ATOM 1103 OE2 GLU A 358 5.037 -0.574 -11.373 1.00 0.00 O ATOM 0 H GLU A 358 4.100 -1.991 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 358 6.411 -0.445 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 358 3.857 0.483 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.456 1.187 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 358 6.241 -0.919 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.601 -1.532 -8.900 1.00 0.00 H new ATOM 1110 N LEU A 359 5.426 0.146 -4.005 1.00 0.00 N ATOM 1111 CA LEU A 359 5.298 0.919 -2.776 1.00 0.00 C ATOM 1112 C LEU A 359 6.168 2.185 -2.796 1.00 0.00 C ATOM 1113 O LEU A 359 7.396 2.067 -2.769 1.00 0.00 O ATOM 1114 CB LEU A 359 5.781 0.036 -1.617 1.00 0.00 C ATOM 1115 CG LEU A 359 5.083 -1.296 -1.300 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.650 -1.732 0.052 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.573 -1.153 -1.405 1.00 0.00 C ATOM 0 H LEU A 359 6.001 -0.687 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 359 4.257 1.222 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 359 6.831 -0.189 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.739 0.643 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 359 5.281 -2.092 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.198 -2.679 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.730 -1.855 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.426 -0.974 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.100 -2.108 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.229 -0.399 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.306 -0.849 -2.417 1.00 0.00 H new ATOM 1129 N PHE A 360 5.563 3.382 -2.802 1.00 0.00 N ATOM 1130 CA PHE A 360 6.325 4.638 -2.884 1.00 0.00 C ATOM 1131 C PHE A 360 5.737 5.827 -2.118 1.00 0.00 C ATOM 1132 O PHE A 360 4.557 6.168 -2.241 1.00 0.00 O ATOM 1133 CB PHE A 360 6.521 5.039 -4.346 1.00 0.00 C ATOM 1134 CG PHE A 360 7.561 4.195 -5.047 1.00 0.00 C ATOM 1135 CD1 PHE A 360 8.917 4.570 -5.008 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.187 2.969 -5.621 1.00 0.00 C ATOM 1137 CE1 PHE A 360 9.898 3.713 -5.535 1.00 0.00 C ATOM 1138 CE2 PHE A 360 8.170 2.111 -6.140 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.525 2.483 -6.106 1.00 0.00 C ATOM 0 H PHE A 360 4.552 3.507 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 360 7.272 4.412 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.571 4.950 -4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.816 6.087 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.203 5.516 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.145 2.687 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.939 3.999 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 360 7.884 1.161 -6.567 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.277 1.826 -6.517 1.00 0.00 H new ATOM 1149 N LEU A 361 6.622 6.504 -1.375 1.00 0.00 N ATOM 1150 CA LEU A 361 6.386 7.795 -0.727 1.00 0.00 C ATOM 1151 C LEU A 361 5.997 8.904 -1.710 1.00 0.00 C ATOM 1152 O LEU A 361 6.330 8.884 -2.897 1.00 0.00 O ATOM 1153 CB LEU A 361 7.666 8.241 0.013 1.00 0.00 C ATOM 1154 CG LEU A 361 7.850 7.572 1.373 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.308 7.588 1.836 1.00 0.00 C ATOM 1156 CD2 LEU A 361 7.070 8.373 2.413 1.00 0.00 C ATOM 0 H LEU A 361 7.563 6.149 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 361 5.552 7.647 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.532 8.021 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.639 9.322 0.150 1.00 0.00 H new ATOM 0 HG LEU A 361 7.509 6.541 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.386 7.101 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.925 7.056 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.652 8.619 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.189 7.910 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.450 9.394 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 361 6.014 8.387 2.144 1.00 0.00 H new ATOM 1168 N ASN A 362 5.380 9.934 -1.136 1.00 0.00 N ATOM 1169 CA ASN A 362 4.987 11.169 -1.809 1.00 0.00 C ATOM 1170 C ASN A 362 5.502 12.456 -1.123 1.00 0.00 C ATOM 1171 O ASN A 362 5.213 13.555 -1.600 1.00 0.00 O ATOM 1172 CB ASN A 362 3.454 11.162 -1.813 1.00 0.00 C ATOM 1173 CG ASN A 362 2.859 10.112 -2.734 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.878 10.221 -3.951 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.313 9.060 -2.172 1.00 0.00 N ATOM 0 H ASN A 362 5.130 9.930 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 362 5.427 11.189 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.096 10.989 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 362 3.094 12.146 -2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.902 8.328 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.300 8.974 -1.156 1.00 0.00 H new ATOM 1182 N SER A 363 6.158 12.356 0.040 1.00 0.00 N ATOM 1183 CA SER A 363 6.068 13.396 1.084 1.00 0.00 C ATOM 1184 C SER A 363 7.196 13.345 2.140 1.00 0.00 C ATOM 1185 O SER A 363 7.984 12.396 2.191 1.00 0.00 O ATOM 1186 CB SER A 363 4.702 13.212 1.760 1.00 0.00 C ATOM 1187 OG SER A 363 3.666 13.846 1.027 1.00 0.00 O ATOM 0 H SER A 363 6.757 11.568 0.286 1.00 0.00 H new ATOM 0 HA SER A 363 6.181 14.371 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 363 4.483 12.148 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 363 4.737 13.621 2.770 1.00 0.00 H new ATOM 0 HG SER A 363 2.810 13.708 1.484 1.00 0.00 H new ATOM 1193 N THR A 364 7.214 14.329 3.052 1.00 0.00 N ATOM 1194 CA THR A 364 8.126 14.450 4.220 1.00 0.00 C ATOM 1195 C THR A 364 7.316 14.613 5.525 1.00 0.00 C ATOM 1196 O THR A 364 6.165 15.041 5.471 1.00 0.00 O ATOM 1197 CB THR A 364 9.076 15.652 4.031 1.00 0.00 C ATOM 1198 OG1 THR A 364 9.660 15.640 2.741 1.00 0.00 O ATOM 1199 CG2 THR A 364 10.237 15.684 5.028 1.00 0.00 C ATOM 0 H THR A 364 6.559 15.110 2.999 1.00 0.00 H new ATOM 0 HA THR A 364 8.719 13.538 4.292 1.00 0.00 H new ATOM 0 HB THR A 364 8.443 16.525 4.187 1.00 0.00 H new ATOM 0 HG1 THR A 364 10.256 16.412 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 364 10.861 16.556 4.833 1.00 0.00 H new ATOM 0 HG22 THR A 364 9.844 15.739 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 364 10.835 14.779 4.919 1.00 0.00 H new ATOM 1207 N THR A 365 7.884 14.248 6.689 1.00 0.00 N ATOM 1208 CA THR A 365 7.265 14.348 8.037 1.00 0.00 C ATOM 1209 C THR A 365 6.835 15.791 8.348 1.00 0.00 C ATOM 1210 O THR A 365 7.643 16.661 8.684 1.00 0.00 O ATOM 1211 CB THR A 365 8.177 13.726 9.117 1.00 0.00 C ATOM 1212 OG1 THR A 365 7.479 13.657 10.337 1.00 0.00 O ATOM 1213 CG2 THR A 365 9.531 14.400 9.367 1.00 0.00 C ATOM 0 H THR A 365 8.826 13.858 6.725 1.00 0.00 H new ATOM 0 HA THR A 365 6.349 13.758 8.043 1.00 0.00 H new ATOM 0 HB THR A 365 8.428 12.747 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 365 7.969 13.083 10.962 1.00 0.00 H new ATOM 0 HG21 THR A 365 10.067 13.861 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 365 10.119 14.387 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 365 9.371 15.431 9.681 1.00 0.00 H new