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 346 SER OG : rot 180:sc= -0.143 USER MOD Set 1.2: A 347 LYS NZ :NH3+ 157:sc= -0.169 (180deg=-1.52) USER MOD Set 2.1: A 290 CYS SG : rot 13:sc= 0.217 USER MOD Set 2.2: A 362 ASN : amide:sc= 0.861 K(o=2,f=0.91) USER MOD Set 2.3: A 363 SER OG : rot 76:sc= 0.944 USER MOD Single : A 289 HIS : no HE2:sc= -4.72 K(o=-4.7,f=-11!) USER MOD Single : A 292 HIS : no HE2:sc= -0.628 K(o=-0.63,f=-3.8!) USER MOD Single : A 293 MET CE :methyl -135:sc= -2.16 (180deg=-5.37!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ -175:sc= 0.798 (180deg=0.781) USER MOD Single : A 301 THR OG1 : rot 180:sc= 0.407 USER MOD Single : A 303 ASN : amide:sc= 1.18 K(o=1.2,f=-0.044) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.635 K(o=0.63,f=0) USER MOD Single : A 310 SER OG : rot -162:sc= -0.0805 USER MOD Single : A 313 ASN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 318 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.13) USER MOD Single : A 328 THR OG1 : rot -106:sc= 0.444 USER MOD Single : A 337 THR OG1 : rot -73:sc= 1.06 USER MOD Single : A 338 HIS : no HE2:sc= 0.738 K(o=0.74,f=-2.4!) USER MOD Single : A 345 MET CE :methyl 133:sc= -2.85! (180deg=-6.48!) USER MOD Single : A 351 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.1!) USER MOD Single : A 352 MET CE :methyl 170:sc= 0 (180deg=-0.0911) USER MOD Single : A 353 GLN : amide:sc= -0.0152 K(o=-0.015,f=-1) USER MOD Single : A 354 HIS : no HE2:sc= 1.31 K(o=1.3,f=-8.1!) USER MOD Single : A 356 TYR OH : rot 4:sc= 1.27 USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N HIS A 289 0.499 12.292 5.751 1.00 0.00 N ATOM 23 CA HIS A 289 1.283 11.696 4.681 1.00 0.00 C ATOM 24 C HIS A 289 0.367 10.891 3.743 1.00 0.00 C ATOM 25 O HIS A 289 -0.667 10.408 4.204 1.00 0.00 O ATOM 26 CB HIS A 289 2.251 10.714 5.339 1.00 0.00 C ATOM 27 CG HIS A 289 3.381 10.364 4.422 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.512 11.104 4.195 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.432 9.299 3.581 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.235 10.489 3.249 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.588 9.405 2.814 1.00 0.00 N ATOM 0 HA HIS A 289 1.796 12.470 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 289 2.647 11.150 6.256 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.716 9.808 5.622 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.761 11.974 4.666 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.701 8.506 3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.198 10.821 2.891 1.00 0.00 H new ATOM 39 N CYS A 290 0.784 10.579 2.512 1.00 0.00 N ATOM 40 CA CYS A 290 0.247 9.411 1.804 1.00 0.00 C ATOM 41 C CYS A 290 1.274 8.657 0.951 1.00 0.00 C ATOM 42 O CYS A 290 2.319 9.202 0.602 1.00 0.00 O ATOM 43 CB CYS A 290 -0.981 9.802 0.967 1.00 0.00 C ATOM 44 SG CYS A 290 -0.564 10.843 -0.458 1.00 0.00 S ATOM 0 H CYS A 290 1.482 11.110 1.990 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.051 8.708 2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.478 8.897 0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.693 10.331 1.601 1.00 0.00 H new ATOM 0 HG CYS A 290 0.722 10.823 -0.648 1.00 0.00 H new ATOM 50 N VAL A 291 0.973 7.401 0.597 1.00 0.00 N ATOM 51 CA VAL A 291 1.902 6.502 -0.107 1.00 0.00 C ATOM 52 C VAL A 291 1.183 5.809 -1.245 1.00 0.00 C ATOM 53 O VAL A 291 0.040 5.376 -1.094 1.00 0.00 O ATOM 54 CB VAL A 291 2.490 5.428 0.822 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.767 4.808 0.255 1.00 0.00 C ATOM 56 CG2 VAL A 291 2.880 6.028 2.159 1.00 0.00 C ATOM 0 H VAL A 291 0.068 6.974 0.793 1.00 0.00 H new ATOM 0 HA VAL A 291 2.719 7.119 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 291 1.711 4.672 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.144 4.055 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.549 4.341 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.519 5.585 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.294 5.250 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.627 6.806 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.000 6.460 2.635 1.00 0.00 H new ATOM 66 N HIS A 292 1.879 5.691 -2.367 1.00 0.00 N ATOM 67 CA HIS A 292 1.351 5.147 -3.608 1.00 0.00 C ATOM 68 C HIS A 292 1.775 3.681 -3.801 1.00 0.00 C ATOM 69 O HIS A 292 2.873 3.282 -3.397 1.00 0.00 O ATOM 70 CB HIS A 292 1.848 6.067 -4.727 1.00 0.00 C ATOM 71 CG HIS A 292 1.386 5.652 -6.086 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.110 5.270 -6.430 1.00 0.00 N ATOM 73 CD2 HIS A 292 2.186 5.492 -7.182 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.156 4.824 -7.693 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.393 4.972 -8.206 1.00 0.00 N ATOM 0 H HIS A 292 2.855 5.980 -2.440 1.00 0.00 H new ATOM 0 HA HIS A 292 0.261 5.122 -3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.507 7.083 -4.530 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.938 6.088 -4.713 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.717 5.317 -5.835 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.239 5.725 -7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.684 4.404 -8.227 1.00 0.00 H new ATOM 83 N MET A 293 0.890 2.882 -4.410 1.00 0.00 N ATOM 84 CA MET A 293 1.035 1.442 -4.614 1.00 0.00 C ATOM 85 C MET A 293 0.521 1.047 -5.991 1.00 0.00 C ATOM 86 O MET A 293 -0.598 1.420 -6.349 1.00 0.00 O ATOM 87 CB MET A 293 0.210 0.647 -3.597 1.00 0.00 C ATOM 88 CG MET A 293 0.235 1.229 -2.191 1.00 0.00 C ATOM 89 SD MET A 293 -0.784 0.272 -1.055 1.00 0.00 S ATOM 90 CE MET A 293 0.290 -1.159 -0.804 1.00 0.00 C ATOM 0 H MET A 293 0.015 3.242 -4.790 1.00 0.00 H new ATOM 0 HA MET A 293 2.096 1.217 -4.504 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.823 0.598 -3.941 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.583 -0.377 -3.562 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.262 1.254 -1.826 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.119 2.260 -2.217 1.00 0.00 H new ATOM 0 HE1 MET A 293 -0.300 -2.073 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 293 1.065 -1.172 -1.571 1.00 0.00 H new ATOM 0 HE3 MET A 293 0.755 -1.097 0.180 1.00 0.00 H new ATOM 100 N ARG A 294 1.281 0.236 -6.734 1.00 0.00 N ATOM 101 CA ARG A 294 0.793 -0.379 -7.987 1.00 0.00 C ATOM 102 C ARG A 294 1.312 -1.799 -8.190 1.00 0.00 C ATOM 103 O ARG A 294 2.423 -2.134 -7.774 1.00 0.00 O ATOM 104 CB ARG A 294 1.153 0.493 -9.204 1.00 0.00 C ATOM 105 CG ARG A 294 0.542 1.893 -9.154 1.00 0.00 C ATOM 106 CD ARG A 294 0.876 2.712 -10.414 1.00 0.00 C ATOM 107 NE ARG A 294 0.301 2.136 -11.645 1.00 0.00 N ATOM 108 CZ ARG A 294 0.817 2.138 -12.859 1.00 0.00 C ATOM 109 NH1 ARG A 294 1.967 2.682 -13.145 1.00 0.00 N ATOM 110 NH2 ARG A 294 0.140 1.583 -13.818 1.00 0.00 N ATOM 0 H ARG A 294 2.240 -0.014 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.291 -0.441 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.237 0.581 -9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.818 -0.009 -10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.540 1.813 -9.050 1.00 0.00 H new ATOM 0 HG3 ARG A 294 0.909 2.418 -8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 294 0.506 3.729 -10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 294 1.959 2.778 -10.521 1.00 0.00 H new ATOM 0 HE ARG A 294 -0.606 1.681 -11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 294 2.514 3.134 -12.412 1.00 0.00 H new ATOM 0 HH12 ARG A 294 2.320 2.655 -14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 294 -0.767 1.160 -13.623 1.00 0.00 H new ATOM 0 HH22 ARG A 294 0.515 1.570 -14.766 1.00 0.00 H new ATOM 124 N GLY A 295 0.492 -2.625 -8.843 1.00 0.00 N ATOM 125 CA GLY A 295 0.805 -4.022 -9.158 1.00 0.00 C ATOM 126 C GLY A 295 0.282 -4.993 -8.096 1.00 0.00 C ATOM 127 O GLY A 295 0.707 -6.149 -8.060 1.00 0.00 O ATOM 0 H GLY A 295 -0.428 -2.336 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.373 -4.279 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.885 -4.137 -9.251 1.00 0.00 H new ATOM 131 N LEU A 296 -0.603 -4.514 -7.211 1.00 0.00 N ATOM 132 CA LEU A 296 -1.222 -5.291 -6.141 1.00 0.00 C ATOM 133 C LEU A 296 -1.936 -6.550 -6.671 1.00 0.00 C ATOM 134 O LEU A 296 -2.408 -6.566 -7.815 1.00 0.00 O ATOM 135 CB LEU A 296 -2.219 -4.404 -5.388 1.00 0.00 C ATOM 136 CG LEU A 296 -1.699 -3.151 -4.663 1.00 0.00 C ATOM 137 CD1 LEU A 296 -2.895 -2.440 -4.027 1.00 0.00 C ATOM 138 CD2 LEU A 296 -0.725 -3.484 -3.540 1.00 0.00 C ATOM 0 H LEU A 296 -0.914 -3.543 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.432 -5.628 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -2.977 -4.081 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -2.722 -5.028 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.180 -2.537 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -2.552 -1.546 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -3.605 -2.157 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.381 -3.110 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.390 -2.563 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.222 -4.114 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 296 0.135 -4.014 -3.950 1.00 0.00 H new ATOM 150 N PRO A 297 -2.068 -7.596 -5.834 1.00 0.00 N ATOM 151 CA PRO A 297 -2.769 -8.817 -6.224 1.00 0.00 C ATOM 152 C PRO A 297 -4.265 -8.556 -6.457 1.00 0.00 C ATOM 153 O PRO A 297 -4.853 -7.646 -5.868 1.00 0.00 O ATOM 154 CB PRO A 297 -2.521 -9.800 -5.075 1.00 0.00 C ATOM 155 CG PRO A 297 -2.276 -8.904 -3.857 1.00 0.00 C ATOM 156 CD PRO A 297 -1.609 -7.673 -4.450 1.00 0.00 C ATOM 0 HA PRO A 297 -2.405 -9.216 -7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.378 -10.456 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.662 -10.440 -5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.208 -8.651 -3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.636 -9.392 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -1.884 -6.775 -3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.523 -7.756 -4.403 1.00 0.00 H new ATOM 164 N TYR A 298 -4.923 -9.408 -7.249 1.00 0.00 N ATOM 165 CA TYR A 298 -6.370 -9.325 -7.512 1.00 0.00 C ATOM 166 C TYR A 298 -7.265 -9.599 -6.278 1.00 0.00 C ATOM 167 O TYR A 298 -8.487 -9.536 -6.373 1.00 0.00 O ATOM 168 CB TYR A 298 -6.741 -10.225 -8.698 1.00 0.00 C ATOM 169 CG TYR A 298 -6.974 -11.682 -8.355 1.00 0.00 C ATOM 170 CD1 TYR A 298 -5.887 -12.567 -8.214 1.00 0.00 C ATOM 171 CD2 TYR A 298 -8.291 -12.141 -8.156 1.00 0.00 C ATOM 172 CE1 TYR A 298 -6.118 -13.909 -7.853 1.00 0.00 C ATOM 173 CE2 TYR A 298 -8.524 -13.479 -7.787 1.00 0.00 C ATOM 174 CZ TYR A 298 -7.435 -14.367 -7.632 1.00 0.00 C ATOM 175 OH TYR A 298 -7.647 -15.664 -7.274 1.00 0.00 O ATOM 0 H TYR A 298 -4.466 -10.182 -7.731 1.00 0.00 H new ATOM 0 HA TYR A 298 -6.576 -8.286 -7.768 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -7.643 -9.830 -9.165 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -5.945 -10.166 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -4.879 -12.218 -8.382 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -9.123 -11.465 -8.287 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -5.286 -14.589 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -9.533 -13.827 -7.623 1.00 0.00 H new ATOM 0 HH TYR A 298 -8.608 -15.819 -7.159 1.00 0.00 H new ATOM 185 N LYS A 299 -6.677 -9.853 -5.101 1.00 0.00 N ATOM 186 CA LYS A 299 -7.363 -9.942 -3.799 1.00 0.00 C ATOM 187 C LYS A 299 -7.046 -8.774 -2.847 1.00 0.00 C ATOM 188 O LYS A 299 -7.431 -8.830 -1.679 1.00 0.00 O ATOM 189 CB LYS A 299 -7.184 -11.346 -3.180 1.00 0.00 C ATOM 190 CG LYS A 299 -5.758 -11.917 -3.173 1.00 0.00 C ATOM 191 CD LYS A 299 -4.696 -11.098 -2.422 1.00 0.00 C ATOM 192 CE LYS A 299 -4.959 -10.931 -0.922 1.00 0.00 C ATOM 193 NZ LYS A 299 -3.757 -10.425 -0.213 1.00 0.00 N ATOM 0 H LYS A 299 -5.672 -10.009 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.430 -9.820 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -7.543 -11.313 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -7.827 -12.041 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -5.792 -12.915 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -5.432 -12.033 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.726 -11.577 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -4.629 -10.110 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -5.789 -10.241 -0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -5.259 -11.888 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -3.941 -10.404 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.950 -11.052 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -3.537 -9.464 -0.545 1.00 0.00 H new ATOM 207 N ALA A 300 -6.352 -7.724 -3.307 1.00 0.00 N ATOM 208 CA ALA A 300 -6.083 -6.530 -2.523 1.00 0.00 C ATOM 209 C ALA A 300 -7.378 -5.910 -1.952 1.00 0.00 C ATOM 210 O ALA A 300 -8.423 -5.846 -2.605 1.00 0.00 O ATOM 211 CB ALA A 300 -5.297 -5.541 -3.387 1.00 0.00 C ATOM 0 H ALA A 300 -5.960 -7.688 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.481 -6.797 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.088 -4.640 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.358 -5.997 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.884 -5.280 -4.267 1.00 0.00 H new ATOM 217 N THR A 301 -7.266 -5.430 -0.720 1.00 0.00 N ATOM 218 CA THR A 301 -8.229 -4.648 0.071 1.00 0.00 C ATOM 219 C THR A 301 -7.463 -3.608 0.848 1.00 0.00 C ATOM 220 O THR A 301 -6.284 -3.795 1.104 1.00 0.00 O ATOM 221 CB THR A 301 -8.992 -5.470 1.125 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.213 -6.812 0.742 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.358 -4.872 1.377 1.00 0.00 C ATOM 0 H THR A 301 -6.411 -5.592 -0.188 1.00 0.00 H new ATOM 0 HA THR A 301 -8.947 -4.244 -0.642 1.00 0.00 H new ATOM 0 HB THR A 301 -8.358 -5.447 2.012 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.699 -7.279 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.883 -5.466 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.247 -3.850 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.930 -4.868 0.449 1.00 0.00 H new ATOM 231 N GLU A 302 -8.122 -2.552 1.304 1.00 0.00 N ATOM 232 CA GLU A 302 -7.482 -1.544 2.137 1.00 0.00 C ATOM 233 C GLU A 302 -6.729 -2.127 3.331 1.00 0.00 C ATOM 234 O GLU A 302 -5.539 -1.893 3.481 1.00 0.00 O ATOM 235 CB GLU A 302 -8.488 -0.490 2.574 1.00 0.00 C ATOM 236 CG GLU A 302 -9.879 -0.954 2.983 1.00 0.00 C ATOM 237 CD GLU A 302 -10.012 -1.652 4.342 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.946 -0.976 5.396 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.176 -2.895 4.346 1.00 0.00 O ATOM 0 H GLU A 302 -9.107 -2.371 1.109 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.723 -1.068 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -8.057 0.054 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.601 0.223 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.539 -0.086 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.248 -1.635 2.216 1.00 0.00 H new ATOM 246 N ASN A 303 -7.356 -2.960 4.151 1.00 0.00 N ATOM 247 CA ASN A 303 -6.669 -3.527 5.302 1.00 0.00 C ATOM 248 C ASN A 303 -5.597 -4.533 4.901 1.00 0.00 C ATOM 249 O ASN A 303 -4.535 -4.615 5.516 1.00 0.00 O ATOM 250 CB ASN A 303 -7.699 -4.090 6.273 1.00 0.00 C ATOM 251 CG ASN A 303 -8.257 -5.438 5.841 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.766 -6.494 6.214 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.273 -5.438 5.013 1.00 0.00 N ATOM 0 H ASN A 303 -8.326 -3.255 4.043 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.121 -2.737 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.243 -4.192 7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.520 -3.380 6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.657 -6.321 4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.679 -4.555 4.704 1.00 0.00 H new ATOM 260 N ASP A 304 -5.857 -5.237 3.805 1.00 0.00 N ATOM 261 CA ASP A 304 -4.934 -6.188 3.217 1.00 0.00 C ATOM 262 C ASP A 304 -3.603 -5.517 2.849 1.00 0.00 C ATOM 263 O ASP A 304 -2.527 -6.018 3.181 1.00 0.00 O ATOM 264 CB ASP A 304 -5.594 -6.832 2.007 1.00 0.00 C ATOM 265 CG ASP A 304 -4.705 -7.924 1.410 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.564 -9.003 2.031 1.00 0.00 O ATOM 267 OD2 ASP A 304 -4.158 -7.720 0.302 1.00 0.00 O ATOM 0 H ASP A 304 -6.736 -5.157 3.293 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.698 -6.963 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.554 -7.259 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.798 -6.072 1.253 1.00 0.00 H new ATOM 272 N ILE A 305 -3.675 -4.332 2.239 1.00 0.00 N ATOM 273 CA ILE A 305 -2.492 -3.624 1.761 1.00 0.00 C ATOM 274 C ILE A 305 -1.678 -3.023 2.891 1.00 0.00 C ATOM 275 O ILE A 305 -0.457 -3.181 2.924 1.00 0.00 O ATOM 276 CB ILE A 305 -2.850 -2.564 0.714 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.900 -1.543 1.136 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.312 -3.313 -0.541 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.805 -0.241 0.376 1.00 0.00 C ATOM 0 H ILE A 305 -4.552 -3.841 2.064 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.862 -4.371 1.278 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.957 -1.962 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.892 -1.970 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.794 -1.342 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.578 -2.594 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.506 -3.953 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.181 -3.925 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.580 0.441 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.825 0.207 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -3.941 -0.431 -0.689 1.00 0.00 H new ATOM 291 N TYR A 306 -2.325 -2.364 3.852 1.00 0.00 N ATOM 292 CA TYR A 306 -1.555 -1.613 4.829 1.00 0.00 C ATOM 293 C TYR A 306 -1.001 -2.498 5.939 1.00 0.00 C ATOM 294 O TYR A 306 0.035 -2.180 6.518 1.00 0.00 O ATOM 295 CB TYR A 306 -2.334 -0.420 5.344 1.00 0.00 C ATOM 296 CG TYR A 306 -3.384 -0.697 6.396 1.00 0.00 C ATOM 297 CD1 TYR A 306 -2.964 -0.963 7.713 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.753 -0.561 6.094 1.00 0.00 C ATOM 299 CE1 TYR A 306 -3.918 -1.107 8.737 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.710 -0.690 7.121 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.294 -0.968 8.443 1.00 0.00 C ATOM 302 OH TYR A 306 -6.212 -1.105 9.440 1.00 0.00 O ATOM 0 H TYR A 306 -3.338 -2.336 3.970 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.678 -1.214 4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.624 0.299 5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.821 0.060 4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -1.912 -1.056 7.937 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.068 -0.359 5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.600 -1.323 9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.761 -0.576 6.898 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.113 -0.980 9.075 1.00 0.00 H new ATOM 312 N ASN A 307 -1.662 -3.627 6.197 1.00 0.00 N ATOM 313 CA ASN A 307 -1.136 -4.637 7.113 1.00 0.00 C ATOM 314 C ASN A 307 -0.062 -5.528 6.465 1.00 0.00 C ATOM 315 O ASN A 307 0.732 -6.122 7.200 1.00 0.00 O ATOM 316 CB ASN A 307 -2.274 -5.436 7.766 1.00 0.00 C ATOM 317 CG ASN A 307 -2.475 -6.829 7.193 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.151 -7.839 7.804 1.00 0.00 O ATOM 319 ND2 ASN A 307 -2.979 -6.929 5.991 1.00 0.00 N ATOM 0 H ASN A 307 -2.564 -3.864 5.783 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.618 -4.112 7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.075 -5.522 8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.203 -4.875 7.659 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -3.102 -7.847 5.564 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.250 -6.089 5.480 1.00 0.00 H new ATOM 326 N PHE A 308 0.012 -5.604 5.123 1.00 0.00 N ATOM 327 CA PHE A 308 1.211 -6.161 4.493 1.00 0.00 C ATOM 328 C PHE A 308 2.351 -5.165 4.656 1.00 0.00 C ATOM 329 O PHE A 308 3.416 -5.604 5.093 1.00 0.00 O ATOM 330 CB PHE A 308 1.030 -6.566 3.011 1.00 0.00 C ATOM 331 CG PHE A 308 1.839 -5.771 1.992 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.255 -5.773 1.998 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.169 -4.942 1.082 1.00 0.00 C ATOM 334 CE1 PHE A 308 3.969 -4.897 1.171 1.00 0.00 C ATOM 335 CE2 PHE A 308 1.881 -4.093 0.230 1.00 0.00 C ATOM 336 CZ PHE A 308 3.273 -4.045 0.313 1.00 0.00 C ATOM 0 H PHE A 308 -0.717 -5.298 4.479 1.00 0.00 H new ATOM 0 HA PHE A 308 1.438 -7.097 5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.291 -7.619 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 308 -0.026 -6.474 2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.788 -6.455 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 308 0.090 -4.959 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 308 5.049 -4.881 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.357 -3.479 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 308 3.819 -3.339 -0.295 1.00 0.00 H new ATOM 346 N PHE A 309 2.121 -3.876 4.303 1.00 0.00 N ATOM 347 CA PHE A 309 3.138 -2.820 4.270 1.00 0.00 C ATOM 348 C PHE A 309 4.020 -2.988 5.510 1.00 0.00 C ATOM 349 O PHE A 309 5.165 -3.396 5.416 1.00 0.00 O ATOM 350 CB PHE A 309 2.494 -1.415 4.272 1.00 0.00 C ATOM 351 CG PHE A 309 2.500 -0.532 3.033 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.739 -0.134 2.502 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.330 0.108 2.577 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.819 0.908 1.563 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.406 1.125 1.611 1.00 0.00 C ATOM 356 CZ PHE A 309 2.648 1.532 1.109 1.00 0.00 C ATOM 0 H PHE A 309 1.197 -3.544 4.028 1.00 0.00 H new ATOM 0 HA PHE A 309 3.724 -2.907 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.451 -1.546 4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.977 -0.847 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.641 -0.636 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.369 -0.185 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.781 1.228 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.502 1.595 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.704 2.323 0.376 1.00 0.00 H new ATOM 366 N SER A 310 3.441 -2.793 6.688 1.00 0.00 N ATOM 367 CA SER A 310 3.992 -3.198 7.999 1.00 0.00 C ATOM 368 C SER A 310 2.895 -3.211 9.082 1.00 0.00 C ATOM 369 O SER A 310 1.724 -3.023 8.749 1.00 0.00 O ATOM 370 CB SER A 310 5.189 -2.311 8.423 1.00 0.00 C ATOM 371 OG SER A 310 5.638 -1.406 7.435 1.00 0.00 O ATOM 0 H SER A 310 2.536 -2.330 6.772 1.00 0.00 H new ATOM 0 HA SER A 310 4.370 -4.215 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 310 4.907 -1.746 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 310 6.019 -2.958 8.707 1.00 0.00 H new ATOM 0 HG SER A 310 6.544 -1.105 7.655 1.00 0.00 H new ATOM 377 N PRO A 311 3.218 -3.403 10.378 1.00 0.00 N ATOM 378 CA PRO A 311 2.323 -3.143 11.519 1.00 0.00 C ATOM 379 C PRO A 311 1.767 -1.696 11.679 1.00 0.00 C ATOM 380 O PRO A 311 1.577 -1.214 12.799 1.00 0.00 O ATOM 381 CB PRO A 311 3.118 -3.593 12.755 1.00 0.00 C ATOM 382 CG PRO A 311 4.062 -4.658 12.210 1.00 0.00 C ATOM 383 CD PRO A 311 4.420 -4.086 10.843 1.00 0.00 C ATOM 0 HA PRO A 311 1.398 -3.696 11.359 1.00 0.00 H new ATOM 0 HB2 PRO A 311 3.666 -2.764 13.202 1.00 0.00 H new ATOM 0 HB3 PRO A 311 2.463 -3.996 13.527 1.00 0.00 H new ATOM 0 HG2 PRO A 311 4.941 -4.788 12.842 1.00 0.00 H new ATOM 0 HG3 PRO A 311 3.579 -5.632 12.132 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.260 -3.396 10.915 1.00 0.00 H new ATOM 0 HD3 PRO A 311 4.714 -4.876 10.152 1.00 0.00 H new ATOM 391 N LEU A 312 1.562 -0.969 10.578 1.00 0.00 N ATOM 392 CA LEU A 312 1.228 0.458 10.497 1.00 0.00 C ATOM 393 C LEU A 312 -0.255 0.768 10.752 1.00 0.00 C ATOM 394 O LEU A 312 -1.114 -0.116 10.750 1.00 0.00 O ATOM 395 CB LEU A 312 1.585 0.964 9.095 1.00 0.00 C ATOM 396 CG LEU A 312 2.970 0.599 8.549 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.197 1.422 7.303 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.160 0.891 9.450 1.00 0.00 C ATOM 0 H LEU A 312 1.630 -1.391 9.652 1.00 0.00 H new ATOM 0 HA LEU A 312 1.799 0.956 11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.837 0.585 8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.498 2.051 9.096 1.00 0.00 H new ATOM 0 HG LEU A 312 2.938 -0.482 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.176 1.188 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.425 1.191 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.154 2.482 7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.079 0.587 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.200 1.959 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.055 0.336 10.382 1.00 0.00 H new ATOM 410 N ASN A 313 -0.561 2.059 10.877 1.00 0.00 N ATOM 411 CA ASN A 313 -1.895 2.655 10.952 1.00 0.00 C ATOM 412 C ASN A 313 -1.996 3.871 9.988 1.00 0.00 C ATOM 413 O ASN A 313 -1.806 5.024 10.390 1.00 0.00 O ATOM 414 CB ASN A 313 -2.238 3.033 12.407 1.00 0.00 C ATOM 415 CG ASN A 313 -2.888 1.940 13.248 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.606 2.215 14.200 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.691 0.678 12.943 1.00 0.00 N ATOM 0 H ASN A 313 0.170 2.768 10.933 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.634 1.922 10.630 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.321 3.349 12.905 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.905 3.895 12.390 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -3.134 -0.056 13.497 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -2.095 0.431 12.153 1.00 0.00 H new ATOM 424 N PRO A 314 -2.319 3.635 8.701 1.00 0.00 N ATOM 425 CA PRO A 314 -2.965 4.589 7.823 1.00 0.00 C ATOM 426 C PRO A 314 -4.264 4.993 8.478 1.00 0.00 C ATOM 427 O PRO A 314 -5.217 4.222 8.619 1.00 0.00 O ATOM 428 CB PRO A 314 -3.197 3.938 6.466 1.00 0.00 C ATOM 429 CG PRO A 314 -2.794 2.497 6.660 1.00 0.00 C ATOM 430 CD PRO A 314 -2.539 2.335 8.160 1.00 0.00 C ATOM 0 HA PRO A 314 -2.351 5.475 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.240 4.020 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -2.599 4.416 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.580 1.822 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -1.900 2.260 6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.391 1.858 8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.674 1.696 8.335 1.00 0.00 H new ATOM 438 N VAL A 315 -4.264 6.241 8.901 1.00 0.00 N ATOM 439 CA VAL A 315 -5.438 6.917 9.439 1.00 0.00 C ATOM 440 C VAL A 315 -6.515 7.132 8.370 1.00 0.00 C ATOM 441 O VAL A 315 -7.662 7.446 8.700 1.00 0.00 O ATOM 442 CB VAL A 315 -4.988 8.209 10.113 1.00 0.00 C ATOM 443 CG1 VAL A 315 -4.027 7.813 11.243 1.00 0.00 C ATOM 444 CG2 VAL A 315 -4.281 9.178 9.157 1.00 0.00 C ATOM 0 H VAL A 315 -3.432 6.831 8.882 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.916 6.288 10.190 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.869 8.736 10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.678 8.710 11.755 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.546 7.168 11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.174 7.279 10.825 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.987 10.076 9.701 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.394 8.698 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.958 9.449 8.347 1.00 0.00 H new ATOM 454 N ARG A 316 -6.161 6.880 7.100 1.00 0.00 N ATOM 455 CA ARG A 316 -7.073 6.696 5.973 1.00 0.00 C ATOM 456 C ARG A 316 -6.491 5.719 4.934 1.00 0.00 C ATOM 457 O ARG A 316 -5.276 5.643 4.776 1.00 0.00 O ATOM 458 CB ARG A 316 -7.327 8.091 5.375 1.00 0.00 C ATOM 459 CG ARG A 316 -8.177 8.041 4.087 1.00 0.00 C ATOM 460 CD ARG A 316 -8.806 9.379 3.684 1.00 0.00 C ATOM 461 NE ARG A 316 -9.731 9.208 2.539 1.00 0.00 N ATOM 462 CZ ARG A 316 -9.452 9.271 1.246 1.00 0.00 C ATOM 463 NH1 ARG A 316 -8.266 9.535 0.782 1.00 0.00 N ATOM 464 NH2 ARG A 316 -10.384 9.067 0.358 1.00 0.00 N ATOM 0 H ARG A 316 -5.183 6.796 6.824 1.00 0.00 H new ATOM 0 HA ARG A 316 -8.012 6.249 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -7.832 8.713 6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.371 8.568 5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -7.551 7.688 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.971 7.307 4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.345 9.801 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -8.022 10.089 3.420 1.00 0.00 H new ATOM 0 HE ARG A 316 -10.705 9.018 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -7.493 9.706 1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -8.109 9.571 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -11.336 8.857 0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -10.161 9.117 -0.636 1.00 0.00 H new ATOM 478 N VAL A 317 -7.334 5.038 4.154 1.00 0.00 N ATOM 479 CA VAL A 317 -6.925 4.280 2.948 1.00 0.00 C ATOM 480 C VAL A 317 -7.831 4.638 1.771 1.00 0.00 C ATOM 481 O VAL A 317 -9.016 4.932 1.935 1.00 0.00 O ATOM 482 CB VAL A 317 -6.939 2.743 3.154 1.00 0.00 C ATOM 483 CG1 VAL A 317 -5.992 2.030 2.172 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.529 2.258 4.546 1.00 0.00 C ATOM 0 H VAL A 317 -8.336 4.991 4.337 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.894 4.568 2.741 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.988 2.495 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.029 0.955 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.302 2.242 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.974 2.388 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.574 1.169 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.512 2.586 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.209 2.673 5.291 1.00 0.00 H new ATOM 494 N HIS A 318 -7.258 4.574 0.575 1.00 0.00 N ATOM 495 CA HIS A 318 -7.884 4.813 -0.720 1.00 0.00 C ATOM 496 C HIS A 318 -7.455 3.707 -1.685 1.00 0.00 C ATOM 497 O HIS A 318 -6.737 3.871 -2.672 1.00 0.00 O ATOM 498 CB HIS A 318 -7.535 6.223 -1.183 1.00 0.00 C ATOM 499 CG HIS A 318 -7.944 6.537 -2.600 1.00 0.00 C ATOM 500 ND1 HIS A 318 -9.223 6.672 -3.094 1.00 0.00 N ATOM 501 CD2 HIS A 318 -7.092 6.577 -3.669 1.00 0.00 C ATOM 502 CE1 HIS A 318 -9.140 6.793 -4.431 1.00 0.00 C ATOM 503 NE2 HIS A 318 -7.855 6.753 -4.831 1.00 0.00 N ATOM 0 H HIS A 318 -6.271 4.336 0.478 1.00 0.00 H new ATOM 0 HA HIS A 318 -8.972 4.769 -0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -8.011 6.939 -0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -6.459 6.366 -1.089 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -6.017 6.488 -3.625 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -9.987 6.906 -5.092 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -7.507 6.834 -5.786 1.00 0.00 H new ATOM 511 N ILE A 319 -7.894 2.517 -1.306 1.00 0.00 N ATOM 512 CA ILE A 319 -7.915 1.324 -2.135 1.00 0.00 C ATOM 513 C ILE A 319 -8.712 1.594 -3.428 1.00 0.00 C ATOM 514 O ILE A 319 -9.781 2.208 -3.390 1.00 0.00 O ATOM 515 CB ILE A 319 -8.488 0.207 -1.253 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.268 -1.198 -1.830 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.988 0.365 -0.947 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.806 -1.597 -2.068 1.00 0.00 C ATOM 0 H ILE A 319 -8.262 2.350 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.927 1.021 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.924 0.311 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.718 -1.924 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.804 -1.270 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.320 -0.462 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.156 1.307 -0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.552 0.362 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.766 -2.607 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.349 -0.902 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.262 -1.566 -1.124 1.00 0.00 H new ATOM 530 N GLU A 320 -8.191 1.182 -4.585 1.00 0.00 N ATOM 531 CA GLU A 320 -8.796 1.506 -5.889 1.00 0.00 C ATOM 532 C GLU A 320 -8.356 0.567 -7.015 1.00 0.00 C ATOM 533 O GLU A 320 -7.157 0.355 -7.218 1.00 0.00 O ATOM 534 CB GLU A 320 -8.471 2.968 -6.288 1.00 0.00 C ATOM 535 CG GLU A 320 -9.720 3.804 -6.604 1.00 0.00 C ATOM 536 CD GLU A 320 -10.474 3.298 -7.847 1.00 0.00 C ATOM 537 OE1 GLU A 320 -11.299 2.363 -7.711 1.00 0.00 O ATOM 538 OE2 GLU A 320 -10.254 3.833 -8.961 1.00 0.00 O ATOM 0 H GLU A 320 -7.344 0.618 -4.651 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.871 1.376 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -7.919 3.444 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -7.816 2.962 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -10.391 3.787 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -9.428 4.843 -6.759 1.00 0.00 H new ATOM 545 N ILE A 321 -9.352 0.051 -7.751 1.00 0.00 N ATOM 546 CA ILE A 321 -9.270 -0.643 -9.048 1.00 0.00 C ATOM 547 C ILE A 321 -10.666 -1.044 -9.562 1.00 0.00 C ATOM 548 O ILE A 321 -11.677 -0.777 -8.913 1.00 0.00 O ATOM 549 CB ILE A 321 -8.296 -1.847 -8.996 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.451 -1.947 -10.269 1.00 0.00 C ATOM 551 CG2 ILE A 321 -8.939 -3.208 -8.815 1.00 0.00 C ATOM 552 CD1 ILE A 321 -6.352 -0.913 -10.331 1.00 0.00 C ATOM 0 H ILE A 321 -10.318 0.113 -7.428 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.856 0.061 -9.770 1.00 0.00 H new ATOM 0 HB ILE A 321 -7.701 -1.626 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -7.010 -2.942 -10.328 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -8.099 -1.833 -11.138 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -8.166 -3.976 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -9.495 -3.226 -7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -9.619 -3.402 -9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -5.789 -1.036 -11.256 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -6.789 0.085 -10.302 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -5.684 -1.041 -9.480 1.00 0.00 H new ATOM 564 N GLY A 322 -10.685 -1.771 -10.684 1.00 0.00 N ATOM 565 CA GLY A 322 -11.827 -2.298 -11.431 1.00 0.00 C ATOM 566 C GLY A 322 -13.178 -2.381 -10.687 1.00 0.00 C ATOM 567 O GLY A 322 -14.039 -1.518 -10.891 1.00 0.00 O ATOM 0 H GLY A 322 -9.808 -2.030 -11.136 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -11.966 -1.678 -12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -11.571 -3.299 -11.779 1.00 0.00 H new ATOM 571 N PRO A 323 -13.374 -3.398 -9.827 1.00 0.00 N ATOM 572 CA PRO A 323 -14.638 -3.658 -9.127 1.00 0.00 C ATOM 573 C PRO A 323 -14.808 -2.919 -7.781 1.00 0.00 C ATOM 574 O PRO A 323 -15.936 -2.605 -7.400 1.00 0.00 O ATOM 575 CB PRO A 323 -14.605 -5.176 -8.889 1.00 0.00 C ATOM 576 CG PRO A 323 -13.123 -5.479 -8.711 1.00 0.00 C ATOM 577 CD PRO A 323 -12.477 -4.534 -9.705 1.00 0.00 C ATOM 0 HA PRO A 323 -15.476 -3.297 -9.723 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -15.180 -5.456 -8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -15.028 -5.723 -9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -12.789 -5.287 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -12.892 -6.521 -8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.493 -4.218 -9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -12.334 -5.022 -10.669 1.00 0.00 H new ATOM 585 N ASP A 324 -13.701 -2.688 -7.058 1.00 0.00 N ATOM 586 CA ASP A 324 -13.586 -2.473 -5.587 1.00 0.00 C ATOM 587 C ASP A 324 -12.121 -2.551 -5.052 1.00 0.00 C ATOM 588 O ASP A 324 -11.884 -2.342 -3.862 1.00 0.00 O ATOM 589 CB ASP A 324 -14.469 -3.505 -4.829 1.00 0.00 C ATOM 590 CG ASP A 324 -14.605 -3.281 -3.311 1.00 0.00 C ATOM 591 OD1 ASP A 324 -14.923 -2.147 -2.879 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.471 -4.277 -2.556 1.00 0.00 O ATOM 0 H ASP A 324 -12.788 -2.641 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 324 -13.934 -1.457 -5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.466 -3.496 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -14.056 -4.500 -4.995 1.00 0.00 H new ATOM 597 N GLY A 325 -11.124 -2.893 -5.891 1.00 0.00 N ATOM 598 CA GLY A 325 -9.717 -3.137 -5.494 1.00 0.00 C ATOM 599 C GLY A 325 -9.097 -4.457 -5.962 1.00 0.00 C ATOM 600 O GLY A 325 -7.995 -4.787 -5.536 1.00 0.00 O ATOM 0 H GLY A 325 -11.276 -3.011 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -9.107 -2.318 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.657 -3.098 -4.406 1.00 0.00 H new ATOM 604 N ARG A 326 -9.785 -5.239 -6.812 1.00 0.00 N ATOM 605 CA ARG A 326 -9.589 -6.693 -6.916 1.00 0.00 C ATOM 606 C ARG A 326 -9.130 -7.153 -8.317 1.00 0.00 C ATOM 607 O ARG A 326 -9.638 -8.137 -8.849 1.00 0.00 O ATOM 608 CB ARG A 326 -10.854 -7.437 -6.403 1.00 0.00 C ATOM 609 CG ARG A 326 -11.138 -7.384 -4.889 1.00 0.00 C ATOM 610 CD ARG A 326 -11.442 -5.973 -4.365 1.00 0.00 C ATOM 611 NE ARG A 326 -12.297 -5.952 -3.167 1.00 0.00 N ATOM 612 CZ ARG A 326 -12.002 -6.311 -1.935 1.00 0.00 C ATOM 613 NH1 ARG A 326 -10.857 -6.832 -1.609 1.00 0.00 N ATOM 614 NH2 ARG A 326 -12.886 -6.106 -1.006 1.00 0.00 N ATOM 0 H ARG A 326 -10.495 -4.877 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 326 -8.756 -6.965 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -11.720 -7.029 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -10.771 -8.484 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -11.983 -8.035 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -10.277 -7.783 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -10.502 -5.471 -4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -11.927 -5.399 -5.155 1.00 0.00 H new ATOM 0 HE ARG A 326 -13.248 -5.613 -3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -10.142 -6.978 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -10.673 -7.095 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -13.781 -5.677 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -12.685 -6.374 -0.043 1.00 0.00 H new ATOM 628 N VAL A 327 -8.192 -6.424 -8.951 1.00 0.00 N ATOM 629 CA VAL A 327 -7.638 -6.775 -10.288 1.00 0.00 C ATOM 630 C VAL A 327 -6.119 -6.658 -10.340 1.00 0.00 C ATOM 631 O VAL A 327 -5.397 -7.640 -10.491 1.00 0.00 O ATOM 632 CB VAL A 327 -8.305 -5.902 -11.375 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.687 -6.002 -12.768 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.792 -6.235 -11.440 1.00 0.00 C ATOM 0 H VAL A 327 -7.792 -5.573 -8.557 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.868 -7.823 -10.480 1.00 0.00 H new ATOM 0 HB VAL A 327 -8.136 -4.869 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -8.229 -5.351 -13.454 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.642 -5.695 -12.725 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.748 -7.032 -13.120 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -10.269 -5.622 -12.205 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -9.918 -7.289 -11.688 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -10.253 -6.032 -10.473 1.00 0.00 H new ATOM 644 N THR A 328 -5.665 -5.421 -10.207 1.00 0.00 N ATOM 645 CA THR A 328 -4.277 -4.976 -10.438 1.00 0.00 C ATOM 646 C THR A 328 -3.815 -3.935 -9.394 1.00 0.00 C ATOM 647 O THR A 328 -2.670 -3.488 -9.423 1.00 0.00 O ATOM 648 CB THR A 328 -4.146 -4.516 -11.914 1.00 0.00 C ATOM 649 OG1 THR A 328 -2.834 -4.137 -12.266 1.00 0.00 O ATOM 650 CG2 THR A 328 -5.084 -3.374 -12.338 1.00 0.00 C ATOM 0 H THR A 328 -6.275 -4.655 -9.922 1.00 0.00 H new ATOM 0 HA THR A 328 -3.586 -5.806 -10.290 1.00 0.00 H new ATOM 0 HB THR A 328 -4.443 -5.417 -12.451 1.00 0.00 H new ATOM 0 HG1 THR A 328 -2.785 -3.161 -12.341 1.00 0.00 H new ATOM 0 HG21 THR A 328 -4.910 -3.131 -13.386 1.00 0.00 H new ATOM 0 HG22 THR A 328 -6.120 -3.686 -12.205 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.888 -2.495 -11.724 1.00 0.00 H new ATOM 658 N GLY A 329 -4.721 -3.601 -8.458 1.00 0.00 N ATOM 659 CA GLY A 329 -4.719 -2.570 -7.409 1.00 0.00 C ATOM 660 C GLY A 329 -3.669 -1.459 -7.507 1.00 0.00 C ATOM 661 O GLY A 329 -2.466 -1.671 -7.354 1.00 0.00 O ATOM 0 H GLY A 329 -5.595 -4.125 -8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.703 -2.102 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -4.591 -3.069 -6.448 1.00 0.00 H new ATOM 665 N GLU A 330 -4.153 -0.245 -7.752 1.00 0.00 N ATOM 666 CA GLU A 330 -3.344 0.900 -8.169 1.00 0.00 C ATOM 667 C GLU A 330 -3.843 2.142 -7.414 1.00 0.00 C ATOM 668 O GLU A 330 -4.657 2.932 -7.901 1.00 0.00 O ATOM 669 CB GLU A 330 -3.344 1.017 -9.706 1.00 0.00 C ATOM 670 CG GLU A 330 -2.663 -0.201 -10.364 1.00 0.00 C ATOM 671 CD GLU A 330 -2.488 -0.106 -11.888 1.00 0.00 C ATOM 672 OE1 GLU A 330 -2.190 0.996 -12.406 1.00 0.00 O ATOM 673 OE2 GLU A 330 -2.563 -1.152 -12.573 1.00 0.00 O ATOM 0 H GLU A 330 -5.145 -0.023 -7.664 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.293 0.779 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -4.369 1.101 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -2.827 1.929 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -1.682 -0.339 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -3.248 -1.092 -10.136 1.00 0.00 H new ATOM 680 N ALA A 331 -3.423 2.211 -6.150 1.00 0.00 N ATOM 681 CA ALA A 331 -4.134 2.793 -5.021 1.00 0.00 C ATOM 682 C ALA A 331 -3.189 3.516 -4.043 1.00 0.00 C ATOM 683 O ALA A 331 -1.962 3.458 -4.187 1.00 0.00 O ATOM 684 CB ALA A 331 -4.816 1.604 -4.340 1.00 0.00 C ATOM 0 H ALA A 331 -2.516 1.835 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.841 3.555 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -5.377 1.954 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.496 1.123 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -4.061 0.887 -4.018 1.00 0.00 H new ATOM 690 N ASP A 332 -3.751 4.176 -3.025 1.00 0.00 N ATOM 691 CA ASP A 332 -2.994 5.006 -2.087 1.00 0.00 C ATOM 692 C ASP A 332 -3.532 4.890 -0.655 1.00 0.00 C ATOM 693 O ASP A 332 -4.636 4.407 -0.400 1.00 0.00 O ATOM 694 CB ASP A 332 -2.978 6.480 -2.546 1.00 0.00 C ATOM 695 CG ASP A 332 -1.992 6.813 -3.687 1.00 0.00 C ATOM 696 OD1 ASP A 332 -2.158 6.334 -4.835 1.00 0.00 O ATOM 697 OD2 ASP A 332 -1.071 7.628 -3.447 1.00 0.00 O ATOM 0 H ASP A 332 -4.752 4.148 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.970 4.633 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.983 6.753 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.737 7.107 -1.687 1.00 0.00 H new ATOM 702 N VAL A 333 -2.705 5.303 0.302 1.00 0.00 N ATOM 703 CA VAL A 333 -2.874 5.071 1.744 1.00 0.00 C ATOM 704 C VAL A 333 -2.274 6.225 2.513 1.00 0.00 C ATOM 705 O VAL A 333 -1.313 6.827 2.055 1.00 0.00 O ATOM 706 CB VAL A 333 -2.255 3.715 2.173 1.00 0.00 C ATOM 707 CG1 VAL A 333 -2.051 2.704 1.046 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.936 3.733 2.930 1.00 0.00 C ATOM 0 H VAL A 333 -1.859 5.833 0.090 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.938 5.016 1.972 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.051 3.418 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.614 1.791 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.012 2.473 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.382 3.125 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.634 2.711 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.171 4.209 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.057 4.292 3.858 1.00 0.00 H new ATOM 718 N GLU A 334 -2.838 6.558 3.665 1.00 0.00 N ATOM 719 CA GLU A 334 -2.676 7.877 4.267 1.00 0.00 C ATOM 720 C GLU A 334 -2.325 7.774 5.739 1.00 0.00 C ATOM 721 O GLU A 334 -3.133 7.341 6.556 1.00 0.00 O ATOM 722 CB GLU A 334 -3.972 8.666 4.101 1.00 0.00 C ATOM 723 CG GLU A 334 -3.826 9.791 3.085 1.00 0.00 C ATOM 724 CD GLU A 334 -5.122 10.582 2.907 1.00 0.00 C ATOM 725 OE1 GLU A 334 -5.939 10.202 2.037 1.00 0.00 O ATOM 726 OE2 GLU A 334 -5.325 11.588 3.626 1.00 0.00 O ATOM 0 H GLU A 334 -3.421 5.923 4.210 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.857 8.389 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.769 7.993 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.269 9.082 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -3.032 10.466 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.523 9.374 2.125 1.00 0.00 H new ATOM 733 N PHE A 335 -1.105 8.173 6.070 1.00 0.00 N ATOM 734 CA PHE A 335 -0.403 7.706 7.257 1.00 0.00 C ATOM 735 C PHE A 335 -0.060 8.827 8.242 1.00 0.00 C ATOM 736 O PHE A 335 0.063 9.997 7.867 1.00 0.00 O ATOM 737 CB PHE A 335 0.930 7.069 6.820 1.00 0.00 C ATOM 738 CG PHE A 335 0.920 5.621 6.381 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.360 4.616 7.184 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.614 5.255 5.221 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.395 3.281 6.762 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.630 3.921 4.779 1.00 0.00 C ATOM 743 CZ PHE A 335 0.968 2.939 5.529 1.00 0.00 C ATOM 0 H PHE A 335 -0.568 8.839 5.514 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.070 7.004 7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.330 7.663 5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.631 7.161 7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.098 4.872 8.128 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.145 6.009 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.023 2.509 7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.148 3.655 3.869 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.900 1.926 5.160 1.00 0.00 H new ATOM 753 N ALA A 336 0.280 8.426 9.471 1.00 0.00 N ATOM 754 CA ALA A 336 0.987 9.230 10.450 1.00 0.00 C ATOM 755 C ALA A 336 2.491 9.393 10.139 1.00 0.00 C ATOM 756 O ALA A 336 3.374 9.040 10.926 1.00 0.00 O ATOM 757 CB ALA A 336 0.829 8.613 11.826 1.00 0.00 C ATOM 0 H ALA A 336 0.057 7.493 9.817 1.00 0.00 H new ATOM 0 HA ALA A 336 0.543 10.225 10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.361 9.219 12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.228 8.572 12.087 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.241 7.604 11.822 1.00 0.00 H new ATOM 763 N THR A 337 2.803 9.896 8.955 1.00 0.00 N ATOM 764 CA THR A 337 3.902 10.797 8.610 1.00 0.00 C ATOM 765 C THR A 337 4.831 10.138 7.601 1.00 0.00 C ATOM 766 O THR A 337 4.710 8.944 7.324 1.00 0.00 O ATOM 767 CB THR A 337 4.659 11.380 9.817 1.00 0.00 C ATOM 768 OG1 THR A 337 5.445 10.459 10.514 1.00 0.00 O ATOM 769 CG2 THR A 337 3.788 12.215 10.757 1.00 0.00 C ATOM 0 H THR A 337 2.245 9.665 8.133 1.00 0.00 H new ATOM 0 HA THR A 337 3.445 11.671 8.145 1.00 0.00 H new ATOM 0 HB THR A 337 5.361 12.073 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.866 9.860 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.396 12.589 11.581 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.363 13.056 10.209 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.983 11.596 11.153 1.00 0.00 H new ATOM 777 N HIS A 338 5.775 10.907 7.055 1.00 0.00 N ATOM 778 CA HIS A 338 6.907 10.365 6.309 1.00 0.00 C ATOM 779 C HIS A 338 7.559 9.225 7.097 1.00 0.00 C ATOM 780 O HIS A 338 7.846 8.202 6.522 1.00 0.00 O ATOM 781 CB HIS A 338 7.858 11.524 5.968 1.00 0.00 C ATOM 782 CG HIS A 338 8.913 11.221 4.939 1.00 0.00 C ATOM 783 ND1 HIS A 338 8.867 11.553 3.603 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.167 10.738 5.194 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.056 11.251 3.058 1.00 0.00 C ATOM 786 NE2 HIS A 338 10.885 10.743 3.990 1.00 0.00 N ATOM 0 H HIS A 338 5.774 11.925 7.119 1.00 0.00 H new ATOM 0 HA HIS A 338 6.591 9.918 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.263 12.366 5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 338 8.352 11.846 6.885 1.00 0.00 H new ATOM 0 HD1 HIS A 338 8.069 11.958 3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.539 10.411 6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 338 10.312 11.395 2.019 1.00 0.00 H new ATOM 794 N GLU A 339 7.660 9.313 8.418 1.00 0.00 N ATOM 795 CA GLU A 339 8.154 8.276 9.326 1.00 0.00 C ATOM 796 C GLU A 339 7.239 7.036 9.471 1.00 0.00 C ATOM 797 O GLU A 339 7.764 5.921 9.523 1.00 0.00 O ATOM 798 CB GLU A 339 8.481 8.927 10.674 1.00 0.00 C ATOM 799 CG GLU A 339 9.736 9.809 10.573 1.00 0.00 C ATOM 800 CD GLU A 339 11.041 9.008 10.754 1.00 0.00 C ATOM 801 OE1 GLU A 339 11.394 8.663 11.909 1.00 0.00 O ATOM 802 OE2 GLU A 339 11.740 8.741 9.746 1.00 0.00 O ATOM 0 H GLU A 339 7.384 10.159 8.917 1.00 0.00 H new ATOM 0 HA GLU A 339 9.056 7.857 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.635 9.529 11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.636 8.154 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 339 9.750 10.304 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.687 10.592 11.330 1.00 0.00 H new ATOM 809 N GLU A 340 5.899 7.145 9.457 1.00 0.00 N ATOM 810 CA GLU A 340 5.034 5.960 9.314 1.00 0.00 C ATOM 811 C GLU A 340 5.202 5.282 7.945 1.00 0.00 C ATOM 812 O GLU A 340 5.332 4.064 7.820 1.00 0.00 O ATOM 813 CB GLU A 340 3.585 6.366 9.569 1.00 0.00 C ATOM 814 CG GLU A 340 2.508 5.291 9.445 1.00 0.00 C ATOM 815 CD GLU A 340 2.461 4.367 10.682 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.519 3.958 11.214 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.340 4.063 11.146 1.00 0.00 O ATOM 0 H GLU A 340 5.396 8.029 9.542 1.00 0.00 H new ATOM 0 HA GLU A 340 5.333 5.218 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.527 6.783 10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.336 7.170 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.536 5.766 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.695 4.693 8.553 1.00 0.00 H new ATOM 824 N ALA A 341 5.249 6.099 6.903 1.00 0.00 N ATOM 825 CA ALA A 341 5.266 5.685 5.512 1.00 0.00 C ATOM 826 C ALA A 341 6.624 5.173 5.008 1.00 0.00 C ATOM 827 O ALA A 341 6.704 4.312 4.136 1.00 0.00 O ATOM 828 CB ALA A 341 4.886 6.942 4.769 1.00 0.00 C ATOM 0 H ALA A 341 5.278 7.113 7.011 1.00 0.00 H new ATOM 0 HA ALA A 341 4.597 4.838 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.868 6.740 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.899 7.272 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.616 7.724 4.979 1.00 0.00 H new ATOM 834 N VAL A 342 7.713 5.696 5.557 1.00 0.00 N ATOM 835 CA VAL A 342 9.089 5.267 5.297 1.00 0.00 C ATOM 836 C VAL A 342 9.392 3.975 6.036 1.00 0.00 C ATOM 837 O VAL A 342 10.148 3.134 5.557 1.00 0.00 O ATOM 838 CB VAL A 342 10.070 6.361 5.724 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.334 6.427 7.214 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.415 6.255 5.056 1.00 0.00 C ATOM 0 H VAL A 342 7.663 6.465 6.226 1.00 0.00 H new ATOM 0 HA VAL A 342 9.201 5.089 4.228 1.00 0.00 H new ATOM 0 HB VAL A 342 9.550 7.265 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 342 11.040 7.231 7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.399 6.619 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.753 5.479 7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 342 12.059 7.062 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.869 5.295 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.292 6.331 3.976 1.00 0.00 H new ATOM 850 N ALA A 343 8.725 3.764 7.170 1.00 0.00 N ATOM 851 CA ALA A 343 8.717 2.443 7.776 1.00 0.00 C ATOM 852 C ALA A 343 7.929 1.441 6.908 1.00 0.00 C ATOM 853 O ALA A 343 8.239 0.252 6.909 1.00 0.00 O ATOM 854 CB ALA A 343 8.179 2.547 9.195 1.00 0.00 C ATOM 0 H ALA A 343 8.196 4.476 7.674 1.00 0.00 H new ATOM 0 HA ALA A 343 9.734 2.055 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.171 1.559 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.816 3.213 9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.164 2.944 9.171 1.00 0.00 H new ATOM 860 N ALA A 344 6.993 1.929 6.087 1.00 0.00 N ATOM 861 CA ALA A 344 6.343 1.173 5.017 1.00 0.00 C ATOM 862 C ALA A 344 7.220 0.970 3.757 1.00 0.00 C ATOM 863 O ALA A 344 7.049 -0.009 3.039 1.00 0.00 O ATOM 864 CB ALA A 344 5.042 1.884 4.643 1.00 0.00 C ATOM 0 H ALA A 344 6.658 2.890 6.153 1.00 0.00 H new ATOM 0 HA ALA A 344 6.155 0.171 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.543 1.334 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.389 1.931 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.265 2.895 4.302 1.00 0.00 H new ATOM 870 N MET A 345 8.188 1.851 3.483 1.00 0.00 N ATOM 871 CA MET A 345 9.148 1.702 2.363 1.00 0.00 C ATOM 872 C MET A 345 10.072 0.502 2.528 1.00 0.00 C ATOM 873 O MET A 345 10.369 -0.221 1.578 1.00 0.00 O ATOM 874 CB MET A 345 10.043 2.950 2.236 1.00 0.00 C ATOM 875 CG MET A 345 9.416 4.187 1.594 1.00 0.00 C ATOM 876 SD MET A 345 8.739 3.959 -0.070 1.00 0.00 S ATOM 877 CE MET A 345 7.146 3.238 0.393 1.00 0.00 C ATOM 0 H MET A 345 8.336 2.698 4.032 1.00 0.00 H new ATOM 0 HA MET A 345 8.534 1.562 1.474 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.388 3.223 3.233 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.925 2.677 1.657 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.617 4.544 2.244 1.00 0.00 H new ATOM 0 HG3 MET A 345 10.170 4.973 1.554 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.348 3.732 -0.162 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.146 2.174 0.158 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.982 3.374 1.462 1.00 0.00 H new ATOM 887 N SER A 346 10.512 0.301 3.765 1.00 0.00 N ATOM 888 CA SER A 346 11.741 -0.387 4.178 1.00 0.00 C ATOM 889 C SER A 346 11.838 -1.913 3.918 1.00 0.00 C ATOM 890 O SER A 346 12.751 -2.582 4.406 1.00 0.00 O ATOM 891 CB SER A 346 11.901 0.007 5.647 1.00 0.00 C ATOM 892 OG SER A 346 11.137 -0.830 6.495 1.00 0.00 O ATOM 0 H SER A 346 9.983 0.638 4.569 1.00 0.00 H new ATOM 0 HA SER A 346 12.570 -0.069 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 346 12.953 -0.051 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.592 1.043 5.783 1.00 0.00 H new ATOM 0 HG SER A 346 11.262 -0.553 7.427 1.00 0.00 H new ATOM 898 N LYS A 347 10.892 -2.459 3.138 1.00 0.00 N ATOM 899 CA LYS A 347 10.738 -3.875 2.737 1.00 0.00 C ATOM 900 C LYS A 347 10.480 -4.114 1.244 1.00 0.00 C ATOM 901 O LYS A 347 10.811 -5.191 0.774 1.00 0.00 O ATOM 902 CB LYS A 347 9.661 -4.602 3.572 1.00 0.00 C ATOM 903 CG LYS A 347 8.220 -4.332 3.101 1.00 0.00 C ATOM 904 CD LYS A 347 7.790 -2.882 3.216 1.00 0.00 C ATOM 905 CE LYS A 347 7.592 -2.468 4.674 1.00 0.00 C ATOM 906 NZ LYS A 347 8.782 -1.932 5.366 1.00 0.00 N ATOM 0 H LYS A 347 10.154 -1.880 2.737 1.00 0.00 H new ATOM 0 HA LYS A 347 11.719 -4.301 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.850 -5.675 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.756 -4.297 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.124 -4.646 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.537 -4.949 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.541 -2.241 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.861 -2.732 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.805 -1.715 4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.233 -3.334 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.481 -1.341 6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.364 -2.720 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 9.340 -1.358 4.702 1.00 0.00 H new ATOM 920 N ASP A 348 9.856 -3.159 0.546 1.00 0.00 N ATOM 921 CA ASP A 348 9.114 -3.199 -0.727 1.00 0.00 C ATOM 922 C ASP A 348 8.515 -4.512 -1.296 1.00 0.00 C ATOM 923 O ASP A 348 7.323 -4.575 -1.600 1.00 0.00 O ATOM 924 CB ASP A 348 9.924 -2.408 -1.759 1.00 0.00 C ATOM 925 CG ASP A 348 11.371 -2.906 -1.952 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.571 -4.028 -2.468 1.00 0.00 O ATOM 927 OD2 ASP A 348 12.318 -2.164 -1.596 1.00 0.00 O ATOM 0 H ASP A 348 9.859 -2.206 0.910 1.00 0.00 H new ATOM 0 HA ASP A 348 8.156 -2.750 -0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.407 -2.450 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 348 9.950 -1.361 -1.457 1.00 0.00 H new ATOM 932 N ARG A 349 9.308 -5.566 -1.431 1.00 0.00 N ATOM 933 CA ARG A 349 9.057 -6.871 -2.064 1.00 0.00 C ATOM 934 C ARG A 349 7.954 -7.785 -1.485 1.00 0.00 C ATOM 935 O ARG A 349 8.032 -8.997 -1.676 1.00 0.00 O ATOM 936 CB ARG A 349 10.405 -7.596 -2.027 1.00 0.00 C ATOM 937 CG ARG A 349 10.727 -7.953 -0.565 1.00 0.00 C ATOM 938 CD ARG A 349 11.003 -9.451 -0.413 1.00 0.00 C ATOM 939 NE ARG A 349 10.753 -9.943 0.956 1.00 0.00 N ATOM 940 CZ ARG A 349 11.237 -9.534 2.115 1.00 0.00 C ATOM 941 NH1 ARG A 349 12.087 -8.555 2.235 1.00 0.00 N ATOM 942 NH2 ARG A 349 10.844 -10.132 3.202 1.00 0.00 N ATOM 0 H ARG A 349 10.257 -5.531 -1.058 1.00 0.00 H new ATOM 0 HA ARG A 349 8.654 -6.658 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 349 10.367 -8.498 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 349 11.188 -6.962 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 349 11.595 -7.384 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 349 9.892 -7.667 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 349 10.377 -10.004 -1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 349 12.039 -9.654 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 349 10.101 -10.725 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 349 12.414 -8.059 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 349 12.426 -8.284 3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 349 10.175 -10.900 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 349 11.205 -9.833 4.108 1.00 0.00 H new ATOM 956 N ALA A 350 7.022 -7.288 -0.675 1.00 0.00 N ATOM 957 CA ALA A 350 6.687 -8.024 0.558 1.00 0.00 C ATOM 958 C ALA A 350 5.239 -8.471 0.776 1.00 0.00 C ATOM 959 O ALA A 350 4.843 -8.831 1.887 1.00 0.00 O ATOM 960 CB ALA A 350 7.196 -7.186 1.715 1.00 0.00 C ATOM 0 H ALA A 350 6.504 -6.423 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 350 7.176 -8.994 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.972 -7.690 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.274 -7.054 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.709 -6.211 1.700 1.00 0.00 H new ATOM 966 N ASN A 351 4.455 -8.490 -0.288 1.00 0.00 N ATOM 967 CA ASN A 351 3.022 -8.685 -0.243 1.00 0.00 C ATOM 968 C ASN A 351 2.614 -9.986 -0.925 1.00 0.00 C ATOM 969 O ASN A 351 2.091 -10.908 -0.297 1.00 0.00 O ATOM 970 CB ASN A 351 2.492 -7.473 -1.009 1.00 0.00 C ATOM 971 CG ASN A 351 0.987 -7.449 -1.229 1.00 0.00 C ATOM 972 OD1 ASN A 351 0.255 -8.410 -1.053 1.00 0.00 O ATOM 973 ND2 ASN A 351 0.469 -6.341 -1.679 1.00 0.00 N ATOM 0 H ASN A 351 4.813 -8.366 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 351 2.632 -8.762 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.778 -6.570 -0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.985 -7.434 -1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -0.530 -6.289 -1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 351 1.063 -5.526 -1.833 1.00 0.00 H new ATOM 980 N MET A 352 2.827 -10.020 -2.240 1.00 0.00 N ATOM 981 CA MET A 352 1.866 -10.715 -3.123 1.00 0.00 C ATOM 982 C MET A 352 2.155 -12.204 -3.277 1.00 0.00 C ATOM 983 O MET A 352 2.813 -12.680 -4.202 1.00 0.00 O ATOM 984 CB MET A 352 1.398 -9.920 -4.353 1.00 0.00 C ATOM 985 CG MET A 352 2.316 -9.469 -5.488 1.00 0.00 C ATOM 986 SD MET A 352 2.839 -10.676 -6.742 1.00 0.00 S ATOM 987 CE MET A 352 1.265 -11.012 -7.580 1.00 0.00 C ATOM 0 H MET A 352 3.624 -9.594 -2.713 1.00 0.00 H new ATOM 0 HA MET A 352 0.918 -10.734 -2.585 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.613 -10.516 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.926 -9.016 -3.968 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.816 -8.652 -6.008 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.217 -9.055 -5.036 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.450 -11.595 -8.482 1.00 0.00 H new ATOM 0 HE2 MET A 352 0.611 -11.574 -6.913 1.00 0.00 H new ATOM 0 HE3 MET A 352 0.787 -10.070 -7.848 1.00 0.00 H new ATOM 997 N GLN A 353 1.667 -12.940 -2.276 1.00 0.00 N ATOM 998 CA GLN A 353 2.067 -14.306 -1.951 1.00 0.00 C ATOM 999 C GLN A 353 3.574 -14.343 -1.590 1.00 0.00 C ATOM 1000 O GLN A 353 4.319 -15.217 -2.044 1.00 0.00 O ATOM 1001 CB GLN A 353 1.572 -15.293 -3.040 1.00 0.00 C ATOM 1002 CG GLN A 353 0.283 -14.887 -3.796 1.00 0.00 C ATOM 1003 CD GLN A 353 -0.954 -14.646 -2.928 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -0.998 -14.882 -1.726 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -2.020 -14.138 -3.511 1.00 0.00 N ATOM 0 H GLN A 353 0.951 -12.582 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 353 1.573 -14.665 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 353 2.370 -15.426 -3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 353 1.404 -16.263 -2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 353 0.488 -13.978 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 353 0.048 -15.668 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -2.006 -13.934 -4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -2.859 -13.949 -2.963 1.00 0.00 H new ATOM 1014 N HIS A 354 4.009 -13.328 -0.818 1.00 0.00 N ATOM 1015 CA HIS A 354 5.394 -12.904 -0.539 1.00 0.00 C ATOM 1016 C HIS A 354 6.195 -12.545 -1.813 1.00 0.00 C ATOM 1017 O HIS A 354 6.898 -13.383 -2.386 1.00 0.00 O ATOM 1018 CB HIS A 354 6.093 -13.896 0.402 1.00 0.00 C ATOM 1019 CG HIS A 354 7.432 -13.399 0.887 1.00 0.00 C ATOM 1020 ND1 HIS A 354 8.659 -13.942 0.581 1.00 0.00 N ATOM 1021 CD2 HIS A 354 7.660 -12.313 1.691 1.00 0.00 C ATOM 1022 CE1 HIS A 354 9.606 -13.217 1.195 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.045 -12.205 1.886 1.00 0.00 N ATOM 0 H HIS A 354 3.340 -12.731 -0.331 1.00 0.00 H new ATOM 0 HA HIS A 354 5.348 -11.958 0.000 1.00 0.00 H new ATOM 0 HB2 HIS A 354 5.450 -14.090 1.261 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.229 -14.846 -0.115 1.00 0.00 H new ATOM 0 HD1 HIS A 354 8.821 -14.756 -0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.907 -11.657 2.102 1.00 0.00 H new ATOM 0 HE1 HIS A 354 10.666 -13.416 1.143 1.00 0.00 H new ATOM 1031 N ARG A 355 6.016 -11.299 -2.291 1.00 0.00 N ATOM 1032 CA ARG A 355 6.390 -10.802 -3.636 1.00 0.00 C ATOM 1033 C ARG A 355 6.105 -9.302 -3.799 1.00 0.00 C ATOM 1034 O ARG A 355 5.375 -8.703 -3.004 1.00 0.00 O ATOM 1035 CB ARG A 355 5.609 -11.588 -4.692 1.00 0.00 C ATOM 1036 CG ARG A 355 6.289 -11.739 -6.062 1.00 0.00 C ATOM 1037 CD ARG A 355 5.746 -12.963 -6.820 1.00 0.00 C ATOM 1038 NE ARG A 355 6.340 -14.223 -6.318 1.00 0.00 N ATOM 1039 CZ ARG A 355 5.862 -15.036 -5.390 1.00 0.00 C ATOM 1040 NH1 ARG A 355 4.687 -14.887 -4.853 1.00 0.00 N ATOM 1041 NH2 ARG A 355 6.578 -16.032 -4.953 1.00 0.00 N ATOM 0 H ARG A 355 5.584 -10.571 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 355 7.463 -10.947 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.406 -12.584 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 355 4.645 -11.101 -4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 355 6.124 -10.839 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 355 7.366 -11.839 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 355 4.662 -13.004 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 355 5.960 -12.858 -7.884 1.00 0.00 H new ATOM 0 HE ARG A 355 7.227 -14.498 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 355 4.087 -14.115 -5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 355 4.365 -15.542 -4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 355 7.514 -16.190 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 355 6.203 -16.655 -4.237 1.00 0.00 H new ATOM 1055 N TYR A 356 6.691 -8.695 -4.824 1.00 0.00 N ATOM 1056 CA TYR A 356 6.942 -7.264 -4.922 1.00 0.00 C ATOM 1057 C TYR A 356 5.806 -6.473 -5.543 1.00 0.00 C ATOM 1058 O TYR A 356 5.059 -6.939 -6.404 1.00 0.00 O ATOM 1059 CB TYR A 356 8.259 -7.023 -5.694 1.00 0.00 C ATOM 1060 CG TYR A 356 8.585 -5.560 -5.996 1.00 0.00 C ATOM 1061 CD1 TYR A 356 7.989 -4.916 -7.103 1.00 0.00 C ATOM 1062 CD2 TYR A 356 9.433 -4.820 -5.147 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.264 -3.563 -7.379 1.00 0.00 C ATOM 1064 CE2 TYR A 356 9.722 -3.470 -5.430 1.00 0.00 C ATOM 1065 CZ TYR A 356 9.137 -2.834 -6.546 1.00 0.00 C ATOM 1066 OH TYR A 356 9.398 -1.523 -6.801 1.00 0.00 O ATOM 0 H TYR A 356 7.017 -9.208 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 356 7.026 -6.893 -3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 356 9.081 -7.449 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 356 8.213 -7.569 -6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 356 7.316 -5.467 -7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 356 9.863 -5.290 -4.275 1.00 0.00 H new ATOM 0 HE1 TYR A 356 7.805 -3.083 -8.231 1.00 0.00 H new ATOM 0 HE2 TYR A 356 10.395 -2.919 -4.789 1.00 0.00 H new ATOM 0 HH TYR A 356 8.859 -1.224 -7.563 1.00 0.00 H new ATOM 1076 N ILE A 357 5.761 -5.229 -5.079 1.00 0.00 N ATOM 1077 CA ILE A 357 4.791 -4.191 -5.356 1.00 0.00 C ATOM 1078 C ILE A 357 5.545 -2.865 -5.432 1.00 0.00 C ATOM 1079 O ILE A 357 6.510 -2.636 -4.698 1.00 0.00 O ATOM 1080 CB ILE A 357 3.807 -4.163 -4.180 1.00 0.00 C ATOM 1081 CG1 ILE A 357 3.064 -5.507 -4.001 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.849 -2.969 -4.288 1.00 0.00 C ATOM 1083 CD1 ILE A 357 2.138 -5.875 -5.157 1.00 0.00 C ATOM 0 H ILE A 357 6.478 -4.895 -4.435 1.00 0.00 H new ATOM 0 HA ILE A 357 4.255 -4.365 -6.289 1.00 0.00 H new ATOM 0 HB ILE A 357 4.391 -4.025 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.800 -6.301 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.479 -5.465 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 357 2.163 -2.975 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.422 -2.042 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 357 2.281 -3.041 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.658 -6.831 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.376 -5.104 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.718 -5.953 -6.077 1.00 0.00 H new ATOM 1095 N GLU A 358 5.058 -1.962 -6.275 1.00 0.00 N ATOM 1096 CA GLU A 358 5.557 -0.591 -6.381 1.00 0.00 C ATOM 1097 C GLU A 358 5.124 0.251 -5.179 1.00 0.00 C ATOM 1098 O GLU A 358 4.222 1.081 -5.292 1.00 0.00 O ATOM 1099 CB GLU A 358 5.096 0.052 -7.713 1.00 0.00 C ATOM 1100 CG GLU A 358 5.451 -0.688 -9.015 1.00 0.00 C ATOM 1101 CD GLU A 358 6.853 -0.344 -9.551 1.00 0.00 C ATOM 1102 OE1 GLU A 358 7.857 -0.551 -8.828 1.00 0.00 O ATOM 1103 OE2 GLU A 358 6.963 0.116 -10.715 1.00 0.00 O ATOM 0 H GLU A 358 4.291 -2.163 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 358 6.646 -0.624 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.013 0.167 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.521 1.054 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 358 5.390 -1.762 -8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.709 -0.445 -9.776 1.00 0.00 H new ATOM 1110 N LEU A 359 5.754 0.027 -4.021 1.00 0.00 N ATOM 1111 CA LEU A 359 5.615 0.850 -2.827 1.00 0.00 C ATOM 1112 C LEU A 359 6.486 2.120 -2.868 1.00 0.00 C ATOM 1113 O LEU A 359 7.715 2.014 -2.848 1.00 0.00 O ATOM 1114 CB LEU A 359 6.048 -0.014 -1.636 1.00 0.00 C ATOM 1115 CG LEU A 359 5.142 -1.190 -1.233 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.674 -1.701 0.104 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.688 -0.736 -1.254 1.00 0.00 C ATOM 0 H LEU A 359 6.393 -0.757 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 359 4.580 1.183 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 359 7.038 -0.414 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.153 0.639 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 359 5.162 -2.031 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.066 -2.541 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.707 -2.026 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.629 -0.901 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.043 -1.567 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.553 0.086 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.426 -0.401 -2.258 1.00 0.00 H new ATOM 1129 N PHE A 360 5.865 3.309 -2.882 1.00 0.00 N ATOM 1130 CA PHE A 360 6.576 4.591 -3.044 1.00 0.00 C ATOM 1131 C PHE A 360 5.950 5.776 -2.296 1.00 0.00 C ATOM 1132 O PHE A 360 4.779 6.122 -2.483 1.00 0.00 O ATOM 1133 CB PHE A 360 6.670 4.923 -4.538 1.00 0.00 C ATOM 1134 CG PHE A 360 7.694 4.076 -5.254 1.00 0.00 C ATOM 1135 CD1 PHE A 360 7.307 2.843 -5.807 1.00 0.00 C ATOM 1136 CD2 PHE A 360 9.048 4.459 -5.264 1.00 0.00 C ATOM 1137 CE1 PHE A 360 8.276 1.985 -6.349 1.00 0.00 C ATOM 1138 CE2 PHE A 360 10.014 3.602 -5.818 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.629 2.364 -6.362 1.00 0.00 C ATOM 0 H PHE A 360 4.855 3.411 -2.781 1.00 0.00 H new ATOM 0 HA PHE A 360 7.560 4.449 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.694 4.777 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.926 5.976 -4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 360 6.266 2.557 -5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 360 9.344 5.410 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 360 7.981 1.030 -6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 360 11.054 3.895 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.371 1.706 -6.789 1.00 0.00 H new ATOM 1149 N LEU A 361 6.782 6.447 -1.491 1.00 0.00 N ATOM 1150 CA LEU A 361 6.490 7.756 -0.901 1.00 0.00 C ATOM 1151 C LEU A 361 6.304 8.829 -1.964 1.00 0.00 C ATOM 1152 O LEU A 361 6.823 8.758 -3.081 1.00 0.00 O ATOM 1153 CB LEU A 361 7.653 8.254 -0.016 1.00 0.00 C ATOM 1154 CG LEU A 361 7.983 7.378 1.179 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.370 7.635 1.774 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.974 7.597 2.270 1.00 0.00 C ATOM 0 H LEU A 361 7.698 6.085 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 361 5.579 7.609 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.545 8.345 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.411 9.254 0.344 1.00 0.00 H new ATOM 0 HG LEU A 361 7.964 6.355 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.530 6.971 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.131 7.447 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.437 8.671 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.218 6.965 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 361 6.991 8.643 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.980 7.343 1.903 1.00 0.00 H new ATOM 1168 N ASN A 362 5.627 9.883 -1.528 1.00 0.00 N ATOM 1169 CA ASN A 362 5.427 11.107 -2.291 1.00 0.00 C ATOM 1170 C ASN A 362 5.267 12.354 -1.391 1.00 0.00 C ATOM 1171 O ASN A 362 4.954 13.433 -1.900 1.00 0.00 O ATOM 1172 CB ASN A 362 4.208 10.827 -3.181 1.00 0.00 C ATOM 1173 CG ASN A 362 2.945 10.619 -2.367 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.383 11.543 -1.799 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.520 9.386 -2.223 1.00 0.00 N ATOM 0 H ASN A 362 5.189 9.910 -0.607 1.00 0.00 H new ATOM 0 HA ASN A 362 6.300 11.355 -2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 362 4.063 11.660 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 362 4.398 9.942 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.712 9.191 -1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.997 8.623 -2.702 1.00 0.00 H new ATOM 1182 N SER A 363 5.445 12.210 -0.065 1.00 0.00 N ATOM 1183 CA SER A 363 4.785 13.119 0.904 1.00 0.00 C ATOM 1184 C SER A 363 5.636 13.613 2.091 1.00 0.00 C ATOM 1185 O SER A 363 6.720 13.104 2.380 1.00 0.00 O ATOM 1186 CB SER A 363 3.518 12.421 1.423 1.00 0.00 C ATOM 1187 OG SER A 363 2.361 12.843 0.731 1.00 0.00 O ATOM 0 H SER A 363 6.028 11.489 0.359 1.00 0.00 H new ATOM 0 HA SER A 363 4.574 14.032 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.630 11.342 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.400 12.628 2.487 1.00 0.00 H new ATOM 0 HG SER A 363 2.333 12.416 -0.151 1.00 0.00 H new ATOM 1193 N THR A 364 5.101 14.617 2.801 1.00 0.00 N ATOM 1194 CA THR A 364 5.666 15.274 4.003 1.00 0.00 C ATOM 1195 C THR A 364 5.547 14.448 5.292 1.00 0.00 C ATOM 1196 O THR A 364 4.687 13.575 5.415 1.00 0.00 O ATOM 1197 CB THR A 364 5.029 16.660 4.201 1.00 0.00 C ATOM 1198 OG1 THR A 364 5.556 17.343 5.317 1.00 0.00 O ATOM 1199 CG2 THR A 364 3.523 16.565 4.349 1.00 0.00 C ATOM 0 H THR A 364 4.203 15.023 2.539 1.00 0.00 H new ATOM 0 HA THR A 364 6.734 15.372 3.811 1.00 0.00 H new ATOM 0 HB THR A 364 5.272 17.227 3.302 1.00 0.00 H new ATOM 0 HG1 THR A 364 5.122 18.218 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.107 17.563 4.487 1.00 0.00 H new ATOM 0 HG22 THR A 364 3.097 16.115 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 364 3.281 15.948 5.214 1.00 0.00 H new ATOM 1207 N THR A 365 6.342 14.758 6.319 1.00 0.00 N ATOM 1208 CA THR A 365 6.026 14.443 7.728 1.00 0.00 C ATOM 1209 C THR A 365 4.940 15.387 8.265 1.00 0.00 C ATOM 1210 O THR A 365 5.147 16.214 9.155 1.00 0.00 O ATOM 1211 CB THR A 365 7.300 14.299 8.585 1.00 0.00 C ATOM 1212 OG1 THR A 365 7.019 14.173 9.960 1.00 0.00 O ATOM 1213 CG2 THR A 365 8.370 15.365 8.359 1.00 0.00 C ATOM 0 H THR A 365 7.234 15.240 6.202 1.00 0.00 H new ATOM 0 HA THR A 365 5.577 13.452 7.793 1.00 0.00 H new ATOM 0 HB THR A 365 7.732 13.366 8.223 1.00 0.00 H new ATOM 0 HG1 THR A 365 7.858 14.083 10.458 1.00 0.00 H new ATOM 0 HG21 THR A 365 9.222 15.170 9.011 1.00 0.00 H new ATOM 0 HG22 THR A 365 8.696 15.339 7.319 1.00 0.00 H new ATOM 0 HG23 THR A 365 7.958 16.348 8.586 1.00 0.00 H new