USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 609 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 60 ASN : amide:sc= -2.08! K(o=-3.2!,f=3.2) USER MOD Set 1.2: A 79 SER OG : rot -131:sc= -1.15! USER MOD Single : A 12 CYS SG : rot 90:sc= -1.34 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 19:sc= 0.371 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 36:sc= 0.113 USER MOD Single : A 35 TYR OH : rot 165:sc= -0.0182 USER MOD Single : A 36 MET CE :methyl -123:sc= -1.17 (180deg=-7.11!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 106:sc= 1.23 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-3.5!) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -0.0797 (180deg=-1.61!) USER MOD Single : A 77 LYS NZ :NH3+ 146:sc= -0.177 (180deg=-1.07) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0859) USER MOD Single : A 81 SER OG : rot 180:sc= -0.291 USER MOD Single : A 84 MET CE :methyl -168:sc= -0.0321 (180deg=-0.285) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.504 -8.504 -12.116 1.00 0.00 N ATOM 84 CA PRO A 9 -0.681 -7.480 -11.082 1.00 0.00 C ATOM 85 C PRO A 9 -0.367 -6.078 -11.594 1.00 0.00 C ATOM 86 O PRO A 9 0.102 -5.909 -12.720 1.00 0.00 O ATOM 87 CB PRO A 9 0.321 -7.891 -10.000 1.00 0.00 C ATOM 88 CG PRO A 9 1.367 -8.664 -10.727 1.00 0.00 C ATOM 89 CD PRO A 9 0.656 -9.370 -11.848 1.00 0.00 C ATOM 0 HA PRO A 9 -1.712 -7.430 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.747 -7.019 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.155 -8.497 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.143 -8.003 -11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.856 -9.378 -10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.293 -9.472 -12.727 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.349 -10.375 -11.559 1.00 0.00 H new ATOM 97 N ARG A 10 -0.628 -5.076 -10.761 1.00 0.00 N ATOM 98 CA ARG A 10 -0.373 -3.689 -11.131 1.00 0.00 C ATOM 99 C ARG A 10 0.817 -3.130 -10.357 1.00 0.00 C ATOM 100 O ARG A 10 0.830 -3.138 -9.125 1.00 0.00 O ATOM 101 CB ARG A 10 -1.613 -2.833 -10.869 1.00 0.00 C ATOM 102 CG ARG A 10 -1.478 -1.400 -11.356 1.00 0.00 C ATOM 103 CD ARG A 10 -1.603 -1.312 -12.869 1.00 0.00 C ATOM 104 NE ARG A 10 -2.928 -1.713 -13.334 1.00 0.00 N ATOM 105 CZ ARG A 10 -3.419 -1.387 -14.524 1.00 0.00 C ATOM 106 NH1 ARG A 10 -2.698 -0.660 -15.366 1.00 0.00 N ATOM 107 NH2 ARG A 10 -4.634 -1.790 -14.875 1.00 0.00 N ATOM 0 H ARG A 10 -1.016 -5.199 -9.826 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.138 -3.660 -12.195 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.472 -3.294 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.820 -2.826 -9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.246 -0.782 -10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.513 -0.998 -11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.400 -0.290 -13.190 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.849 -1.948 -13.332 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.508 -2.274 -12.711 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.763 -0.349 -15.101 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.078 -0.411 -16.279 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.191 -2.351 -14.230 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.010 -1.539 -15.789 1.00 0.00 H new ATOM 121 N LEU A 11 1.816 -2.645 -11.087 1.00 0.00 N ATOM 122 CA LEU A 11 3.011 -2.082 -10.469 1.00 0.00 C ATOM 123 C LEU A 11 2.776 -0.635 -10.048 1.00 0.00 C ATOM 124 O LEU A 11 2.604 0.247 -10.891 1.00 0.00 O ATOM 125 CB LEU A 11 4.193 -2.158 -11.437 1.00 0.00 C ATOM 126 CG LEU A 11 5.580 -1.976 -10.819 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.866 -0.502 -10.575 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.694 -2.764 -9.522 1.00 0.00 C ATOM 0 H LEU A 11 1.822 -2.630 -12.107 1.00 0.00 H new ATOM 0 HA LEU A 11 3.240 -2.667 -9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.165 -3.126 -11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.057 -1.397 -12.205 1.00 0.00 H new ATOM 0 HG LEU A 11 6.322 -2.359 -11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.857 -0.392 -10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.827 0.038 -11.521 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.119 -0.094 -9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.688 -2.623 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.943 -2.412 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.533 -3.823 -9.724 1.00 0.00 H new ATOM 140 N CYS A 12 2.774 -0.397 -8.741 1.00 0.00 N ATOM 141 CA CYS A 12 2.562 0.944 -8.208 1.00 0.00 C ATOM 142 C CYS A 12 3.887 1.589 -7.817 1.00 0.00 C ATOM 143 O CYS A 12 4.428 1.319 -6.744 1.00 0.00 O ATOM 144 CB CYS A 12 1.628 0.893 -6.998 1.00 0.00 C ATOM 145 SG CYS A 12 0.029 0.118 -7.331 1.00 0.00 S ATOM 0 H CYS A 12 2.917 -1.115 -8.031 1.00 0.00 H new ATOM 0 HA CYS A 12 2.100 1.550 -8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.123 0.349 -6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.460 1.909 -6.640 1.00 0.00 H new ATOM 0 HG CYS A 12 0.109 -1.159 -7.101 1.00 0.00 H new ATOM 151 N TYR A 13 4.406 2.441 -8.694 1.00 0.00 N ATOM 152 CA TYR A 13 5.671 3.122 -8.442 1.00 0.00 C ATOM 153 C TYR A 13 5.459 4.365 -7.584 1.00 0.00 C ATOM 154 O TYR A 13 4.871 5.351 -8.031 1.00 0.00 O ATOM 155 CB TYR A 13 6.338 3.508 -9.763 1.00 0.00 C ATOM 156 CG TYR A 13 7.847 3.427 -9.725 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.502 2.216 -9.915 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.618 4.561 -9.500 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.881 2.137 -9.881 1.00 0.00 C ATOM 160 CE2 TYR A 13 9.998 4.491 -9.466 1.00 0.00 C ATOM 161 CZ TYR A 13 10.624 3.277 -9.656 1.00 0.00 C ATOM 162 OH TYR A 13 11.998 3.204 -9.621 1.00 0.00 O ATOM 0 H TYR A 13 3.971 2.677 -9.586 1.00 0.00 H new ATOM 0 HA TYR A 13 6.322 2.436 -7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.967 2.854 -10.552 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.043 4.524 -10.026 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.923 1.322 -10.092 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.131 5.513 -9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.374 1.188 -10.030 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.583 5.382 -9.292 1.00 0.00 H new ATOM 0 HH TYR A 13 12.369 4.096 -9.454 1.00 0.00 H new ATOM 172 N LEU A 14 5.942 4.311 -6.347 1.00 0.00 N ATOM 173 CA LEU A 14 5.807 5.433 -5.424 1.00 0.00 C ATOM 174 C LEU A 14 7.059 6.304 -5.438 1.00 0.00 C ATOM 175 O LEU A 14 8.178 5.800 -5.540 1.00 0.00 O ATOM 176 CB LEU A 14 5.543 4.923 -4.006 1.00 0.00 C ATOM 177 CG LEU A 14 4.085 4.609 -3.666 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.351 5.873 -3.247 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.390 3.954 -4.851 1.00 0.00 C ATOM 0 H LEU A 14 6.430 3.503 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 14 4.962 6.039 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.134 4.020 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.907 5.669 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 14 4.069 3.910 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.315 5.630 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.835 6.300 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.376 6.596 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.354 3.738 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.416 4.629 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.902 3.026 -5.105 1.00 0.00 H new ATOM 191 N VAL A 15 6.863 7.614 -5.334 1.00 0.00 N ATOM 192 CA VAL A 15 7.977 8.556 -5.331 1.00 0.00 C ATOM 193 C VAL A 15 7.781 9.635 -4.273 1.00 0.00 C ATOM 194 O VAL A 15 6.714 10.242 -4.178 1.00 0.00 O ATOM 195 CB VAL A 15 8.148 9.226 -6.707 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.136 10.380 -6.620 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.596 8.207 -7.744 1.00 0.00 C ATOM 0 H VAL A 15 5.944 8.048 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 15 8.875 7.984 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 15 7.184 9.627 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.244 10.841 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.769 11.121 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.104 10.006 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.712 8.698 -8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.549 7.774 -7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.848 7.418 -7.825 1.00 0.00 H new ATOM 207 N LYS A 16 8.819 9.872 -3.478 1.00 0.00 N ATOM 208 CA LYS A 16 8.764 10.880 -2.426 1.00 0.00 C ATOM 209 C LYS A 16 8.533 12.268 -3.014 1.00 0.00 C ATOM 210 O LYS A 16 9.467 12.913 -3.489 1.00 0.00 O ATOM 211 CB LYS A 16 10.060 10.868 -1.612 1.00 0.00 C ATOM 212 CG LYS A 16 10.022 9.928 -0.420 1.00 0.00 C ATOM 213 CD LYS A 16 11.203 10.156 0.509 1.00 0.00 C ATOM 214 CE LYS A 16 11.100 9.299 1.761 1.00 0.00 C ATOM 215 NZ LYS A 16 12.416 9.155 2.444 1.00 0.00 N ATOM 0 H LYS A 16 9.710 9.379 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 16 7.928 10.639 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.886 10.581 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.267 11.879 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.092 10.074 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.027 8.896 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.130 9.925 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.249 11.208 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.381 9.745 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.718 8.313 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.304 8.564 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.096 8.706 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.768 10.094 2.720 1.00 0.00 H new ATOM 229 N GLU A 17 7.284 12.721 -2.978 1.00 0.00 N ATOM 230 CA GLU A 17 6.932 14.033 -3.507 1.00 0.00 C ATOM 231 C GLU A 17 6.814 15.059 -2.384 1.00 0.00 C ATOM 232 O GLU A 17 7.542 16.051 -2.356 1.00 0.00 O ATOM 233 CB GLU A 17 5.616 13.958 -4.284 1.00 0.00 C ATOM 234 CG GLU A 17 5.783 13.492 -5.721 1.00 0.00 C ATOM 235 CD GLU A 17 6.611 14.451 -6.553 1.00 0.00 C ATOM 236 OE1 GLU A 17 6.187 15.613 -6.718 1.00 0.00 O ATOM 237 OE2 GLU A 17 7.685 14.038 -7.039 1.00 0.00 O ATOM 0 H GLU A 17 6.499 12.199 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 17 7.727 14.349 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.937 13.279 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.146 14.942 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.256 12.510 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.800 13.376 -6.178 1.00 0.00 H new ATOM 244 N GLY A 18 5.892 14.813 -1.459 1.00 0.00 N ATOM 245 CA GLY A 18 5.694 15.724 -0.347 1.00 0.00 C ATOM 246 C GLY A 18 5.661 15.009 0.989 1.00 0.00 C ATOM 247 O GLY A 18 4.981 13.995 1.142 1.00 0.00 O ATOM 0 H GLY A 18 5.278 13.998 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.495 16.464 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.760 16.267 -0.488 1.00 0.00 H new ATOM 251 N GLY A 19 6.400 15.537 1.960 1.00 0.00 N ATOM 252 CA GLY A 19 6.440 14.929 3.277 1.00 0.00 C ATOM 253 C GLY A 19 6.355 13.416 3.220 1.00 0.00 C ATOM 254 O GLY A 19 7.308 12.749 2.817 1.00 0.00 O ATOM 0 H GLY A 19 6.972 16.375 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.362 15.219 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.615 15.314 3.877 1.00 0.00 H new ATOM 258 N SER A 20 5.211 12.874 3.625 1.00 0.00 N ATOM 259 CA SER A 20 5.008 11.430 3.623 1.00 0.00 C ATOM 260 C SER A 20 4.450 10.962 2.282 1.00 0.00 C ATOM 261 O SER A 20 3.987 11.767 1.474 1.00 0.00 O ATOM 262 CB SER A 20 4.057 11.026 4.751 1.00 0.00 C ATOM 263 OG SER A 20 4.595 11.368 6.017 1.00 0.00 O ATOM 0 H SER A 20 4.411 13.412 3.958 1.00 0.00 H new ATOM 0 HA SER A 20 5.975 10.952 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.095 11.521 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.872 9.953 4.709 1.00 0.00 H new ATOM 0 HG SER A 20 3.968 11.101 6.722 1.00 0.00 H new ATOM 269 N TYR A 21 4.499 9.654 2.052 1.00 0.00 N ATOM 270 CA TYR A 21 4.002 9.077 0.809 1.00 0.00 C ATOM 271 C TYR A 21 2.490 9.249 0.695 1.00 0.00 C ATOM 272 O TYR A 21 2.003 10.051 -0.101 1.00 0.00 O ATOM 273 CB TYR A 21 4.365 7.593 0.729 1.00 0.00 C ATOM 274 CG TYR A 21 5.824 7.343 0.422 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.290 7.350 -0.887 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.737 7.098 1.441 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.622 7.121 -1.172 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.071 6.869 1.165 1.00 0.00 C ATOM 279 CZ TYR A 21 8.509 6.882 -0.143 1.00 0.00 C ATOM 280 OH TYR A 21 9.837 6.653 -0.422 1.00 0.00 O ATOM 0 H TYR A 21 4.878 8.974 2.711 1.00 0.00 H new ATOM 0 HA TYR A 21 4.473 9.604 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.114 7.115 1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.754 7.119 -0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.599 7.538 -1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.398 7.086 2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.967 7.129 -2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.767 6.681 1.969 1.00 0.00 H new ATOM 0 HH TYR A 21 10.044 6.984 -1.321 1.00 0.00 H new ATOM 290 N GLY A 22 1.752 8.489 1.498 1.00 0.00 N ATOM 291 CA GLY A 22 0.303 8.571 1.473 1.00 0.00 C ATOM 292 C GLY A 22 -0.358 7.289 1.937 1.00 0.00 C ATOM 293 O GLY A 22 -1.263 7.315 2.771 1.00 0.00 O ATOM 0 H GLY A 22 2.132 7.818 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.022 9.395 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.027 8.801 0.460 1.00 0.00 H new ATOM 297 N PHE A 23 0.092 6.163 1.394 1.00 0.00 N ATOM 298 CA PHE A 23 -0.464 4.864 1.755 1.00 0.00 C ATOM 299 C PHE A 23 -0.116 4.505 3.197 1.00 0.00 C ATOM 300 O PHE A 23 0.649 5.209 3.856 1.00 0.00 O ATOM 301 CB PHE A 23 0.057 3.781 0.808 1.00 0.00 C ATOM 302 CG PHE A 23 1.544 3.582 0.886 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.100 2.790 1.878 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.386 4.187 -0.033 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.468 2.605 1.951 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.755 4.005 0.035 1.00 0.00 C ATOM 307 CZ PHE A 23 4.296 3.214 1.029 1.00 0.00 C ATOM 0 H PHE A 23 0.840 6.124 0.702 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.549 4.924 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.440 2.839 1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.213 4.043 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.457 2.312 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.968 4.808 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.889 1.985 2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.400 4.481 -0.688 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.365 3.072 1.085 1.00 0.00 H new ATOM 317 N SER A 24 -0.685 3.405 3.680 1.00 0.00 N ATOM 318 CA SER A 24 -0.439 2.954 5.045 1.00 0.00 C ATOM 319 C SER A 24 -0.249 1.441 5.091 1.00 0.00 C ATOM 320 O SER A 24 -0.742 0.715 4.228 1.00 0.00 O ATOM 321 CB SER A 24 -1.599 3.361 5.956 1.00 0.00 C ATOM 322 OG SER A 24 -1.529 4.737 6.288 1.00 0.00 O ATOM 0 H SER A 24 -1.319 2.810 3.147 1.00 0.00 H new ATOM 0 HA SER A 24 0.476 3.429 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.546 3.151 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.577 2.763 6.867 1.00 0.00 H new ATOM 0 HG SER A 24 -2.282 4.972 6.869 1.00 0.00 H new ATOM 328 N LEU A 25 0.471 0.973 6.105 1.00 0.00 N ATOM 329 CA LEU A 25 0.728 -0.454 6.266 1.00 0.00 C ATOM 330 C LEU A 25 0.242 -0.945 7.625 1.00 0.00 C ATOM 331 O LEU A 25 0.308 -0.222 8.620 1.00 0.00 O ATOM 332 CB LEU A 25 2.222 -0.743 6.111 1.00 0.00 C ATOM 333 CG LEU A 25 2.837 -0.393 4.756 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.355 -0.442 4.829 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.323 -1.336 3.678 1.00 0.00 C ATOM 0 H LEU A 25 0.887 1.561 6.828 1.00 0.00 H new ATOM 0 HA LEU A 25 0.178 -0.987 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.760 -0.194 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.388 -1.804 6.299 1.00 0.00 H new ATOM 0 HG LEU A 25 2.539 0.623 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.774 -0.190 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.707 0.274 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.673 -1.445 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.771 -1.072 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.590 -2.361 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.239 -1.251 3.607 1.00 0.00 H new ATOM 347 N LYS A 26 -0.247 -2.181 7.662 1.00 0.00 N ATOM 348 CA LYS A 26 -0.742 -2.772 8.900 1.00 0.00 C ATOM 349 C LYS A 26 -0.793 -4.293 8.794 1.00 0.00 C ATOM 350 O LYS A 26 -1.208 -4.841 7.772 1.00 0.00 O ATOM 351 CB LYS A 26 -2.133 -2.225 9.229 1.00 0.00 C ATOM 352 CG LYS A 26 -3.234 -2.797 8.353 1.00 0.00 C ATOM 353 CD LYS A 26 -4.611 -2.492 8.918 1.00 0.00 C ATOM 354 CE LYS A 26 -5.657 -3.464 8.394 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.933 -3.370 9.156 1.00 0.00 N ATOM 0 H LYS A 26 -0.311 -2.793 6.848 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.054 -2.505 9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.362 -2.441 10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.122 -1.140 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.152 -2.383 7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.107 -3.876 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.578 -2.543 10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.896 -1.473 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.847 -3.259 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.271 -4.481 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.620 -4.048 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.757 -3.590 10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.315 -2.406 9.076 1.00 0.00 H new ATOM 369 N THR A 27 -0.371 -4.970 9.856 1.00 0.00 N ATOM 370 CA THR A 27 -0.369 -6.427 9.883 1.00 0.00 C ATOM 371 C THR A 27 -1.492 -6.962 10.764 1.00 0.00 C ATOM 372 O THR A 27 -1.658 -6.531 11.905 1.00 0.00 O ATOM 373 CB THR A 27 0.976 -6.979 10.393 1.00 0.00 C ATOM 374 OG1 THR A 27 1.238 -6.486 11.712 1.00 0.00 O ATOM 375 CG2 THR A 27 2.111 -6.581 9.462 1.00 0.00 C ATOM 0 H THR A 27 -0.026 -4.532 10.710 1.00 0.00 H new ATOM 0 HA THR A 27 -0.524 -6.762 8.857 1.00 0.00 H new ATOM 0 HB THR A 27 0.913 -8.067 10.418 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.397 -6.421 12.210 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.051 -6.982 9.842 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.922 -6.982 8.466 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.175 -5.494 9.410 1.00 0.00 H new ATOM 383 N VAL A 28 -2.261 -7.905 10.228 1.00 0.00 N ATOM 384 CA VAL A 28 -3.367 -8.501 10.967 1.00 0.00 C ATOM 385 C VAL A 28 -2.975 -9.856 11.546 1.00 0.00 C ATOM 386 O VAL A 28 -2.539 -10.749 10.820 1.00 0.00 O ATOM 387 CB VAL A 28 -4.609 -8.677 10.073 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.754 -9.292 10.864 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.023 -7.343 9.469 1.00 0.00 C ATOM 0 H VAL A 28 -2.138 -8.272 9.284 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.608 -7.818 11.781 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.356 -9.356 9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.623 -9.409 10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.451 -10.268 11.244 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.010 -8.641 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.902 -7.485 8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.258 -6.639 10.268 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.206 -6.947 8.866 1.00 0.00 H new ATOM 467 N GLY A 33 1.874 -11.314 6.580 1.00 0.00 N ATOM 468 CA GLY A 33 2.438 -10.218 5.815 1.00 0.00 C ATOM 469 C GLY A 33 1.679 -8.921 6.014 1.00 0.00 C ATOM 470 O GLY A 33 0.786 -8.839 6.858 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.479 -10.074 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.435 -10.478 4.757 1.00 0.00 H new ATOM 474 N VAL A 34 2.035 -7.903 5.237 1.00 0.00 N ATOM 475 CA VAL A 34 1.381 -6.603 5.332 1.00 0.00 C ATOM 476 C VAL A 34 0.708 -6.229 4.016 1.00 0.00 C ATOM 477 O VAL A 34 1.030 -6.780 2.963 1.00 0.00 O ATOM 478 CB VAL A 34 2.383 -5.499 5.717 1.00 0.00 C ATOM 479 CG1 VAL A 34 3.177 -5.050 4.500 1.00 0.00 C ATOM 480 CG2 VAL A 34 1.659 -4.323 6.355 1.00 0.00 C ATOM 0 H VAL A 34 2.773 -7.953 4.535 1.00 0.00 H new ATOM 0 HA VAL A 34 0.624 -6.684 6.112 1.00 0.00 H new ATOM 0 HB VAL A 34 3.083 -5.906 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.880 -4.270 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.726 -5.898 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.495 -4.660 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.382 -3.552 6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.936 -3.915 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.140 -4.659 7.253 1.00 0.00 H new ATOM 490 N TYR A 35 -0.227 -5.288 4.083 1.00 0.00 N ATOM 491 CA TYR A 35 -0.947 -4.840 2.898 1.00 0.00 C ATOM 492 C TYR A 35 -1.488 -3.426 3.090 1.00 0.00 C ATOM 493 O TYR A 35 -1.841 -3.031 4.201 1.00 0.00 O ATOM 494 CB TYR A 35 -2.095 -5.799 2.580 1.00 0.00 C ATOM 495 CG TYR A 35 -3.187 -5.803 3.625 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.971 -4.678 3.844 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.436 -6.934 4.393 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.970 -4.677 4.799 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.433 -6.943 5.349 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.197 -5.812 5.548 1.00 0.00 C ATOM 501 OH TYR A 35 -6.192 -5.817 6.499 1.00 0.00 O ATOM 0 H TYR A 35 -0.504 -4.821 4.946 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.248 -4.831 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.527 -5.529 1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.697 -6.809 2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.797 -3.788 3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.840 -7.821 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.569 -3.793 4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.613 -7.831 5.937 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.385 -6.740 6.766 1.00 0.00 H new ATOM 511 N MET A 36 -1.552 -2.670 1.999 1.00 0.00 N ATOM 512 CA MET A 36 -2.053 -1.301 2.047 1.00 0.00 C ATOM 513 C MET A 36 -3.493 -1.266 2.548 1.00 0.00 C ATOM 514 O MET A 36 -4.348 -2.010 2.066 1.00 0.00 O ATOM 515 CB MET A 36 -1.966 -0.655 0.663 1.00 0.00 C ATOM 516 CG MET A 36 -0.568 -0.680 0.067 1.00 0.00 C ATOM 517 SD MET A 36 0.588 0.374 0.964 1.00 0.00 S ATOM 518 CE MET A 36 2.116 0.009 0.104 1.00 0.00 C ATOM 0 H MET A 36 -1.264 -2.982 1.072 1.00 0.00 H new ATOM 0 HA MET A 36 -1.432 -0.737 2.743 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.649 -1.170 -0.013 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.304 0.379 0.732 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.195 -1.704 0.067 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.615 -0.358 -0.973 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.857 -0.353 0.817 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.935 -0.756 -0.651 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.487 0.913 -0.378 1.00 0.00 H new ATOM 528 N THR A 37 -3.756 -0.398 3.520 1.00 0.00 N ATOM 529 CA THR A 37 -5.093 -0.267 4.087 1.00 0.00 C ATOM 530 C THR A 37 -5.630 1.148 3.907 1.00 0.00 C ATOM 531 O THR A 37 -6.778 1.340 3.506 1.00 0.00 O ATOM 532 CB THR A 37 -5.104 -0.622 5.586 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.427 -0.477 6.113 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.144 0.269 6.360 1.00 0.00 C ATOM 0 H THR A 37 -3.061 0.225 3.931 1.00 0.00 H new ATOM 0 HA THR A 37 -5.734 -0.967 3.551 1.00 0.00 H new ATOM 0 HB THR A 37 -4.781 -1.657 5.695 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.426 -0.706 7.066 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.169 -0.000 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.133 0.135 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.441 1.311 6.244 1.00 0.00 H new ATOM 542 N ASP A 38 -4.794 2.136 4.206 1.00 0.00 N ATOM 543 CA ASP A 38 -5.185 3.535 4.076 1.00 0.00 C ATOM 544 C ASP A 38 -4.431 4.205 2.931 1.00 0.00 C ATOM 545 O ASP A 38 -3.215 4.387 2.998 1.00 0.00 O ATOM 546 CB ASP A 38 -4.923 4.284 5.383 1.00 0.00 C ATOM 547 CG ASP A 38 -5.839 5.479 5.560 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.068 5.277 5.642 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.326 6.617 5.614 1.00 0.00 O ATOM 0 H ASP A 38 -3.841 1.994 4.540 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.252 3.570 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.055 3.601 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.886 4.619 5.405 1.00 0.00 H new ATOM 554 N ILE A 39 -5.161 4.570 1.883 1.00 0.00 N ATOM 555 CA ILE A 39 -4.562 5.221 0.724 1.00 0.00 C ATOM 556 C ILE A 39 -4.977 6.685 0.640 1.00 0.00 C ATOM 557 O ILE A 39 -5.929 7.034 -0.059 1.00 0.00 O ATOM 558 CB ILE A 39 -4.954 4.511 -0.585 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.507 3.048 -0.552 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.345 5.230 -1.780 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.004 2.875 -0.565 1.00 0.00 C ATOM 0 H ILE A 39 -6.168 4.426 1.812 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.481 5.160 0.851 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.039 4.537 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.912 2.573 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.932 2.527 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.631 4.717 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.708 6.257 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.259 5.232 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.760 1.813 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.594 3.320 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.574 3.367 0.307 1.00 0.00 H new ATOM 573 N THR A 40 -4.255 7.542 1.356 1.00 0.00 N ATOM 574 CA THR A 40 -4.547 8.970 1.362 1.00 0.00 C ATOM 575 C THR A 40 -4.960 9.452 -0.024 1.00 0.00 C ATOM 576 O THR A 40 -4.373 9.076 -1.039 1.00 0.00 O ATOM 577 CB THR A 40 -3.333 9.790 1.838 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.947 9.375 3.153 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.653 11.277 1.843 1.00 0.00 C ATOM 0 H THR A 40 -3.463 7.271 1.939 1.00 0.00 H new ATOM 0 HA THR A 40 -5.373 9.121 2.057 1.00 0.00 H new ATOM 0 HB THR A 40 -2.509 9.614 1.146 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.124 8.845 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.781 11.836 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.918 11.596 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.490 11.467 2.515 1.00 0.00 H new ATOM 587 N PRO A 41 -5.993 10.306 -0.071 1.00 0.00 N ATOM 588 CA PRO A 41 -6.507 10.859 -1.327 1.00 0.00 C ATOM 589 C PRO A 41 -5.536 11.847 -1.965 1.00 0.00 C ATOM 590 O PRO A 41 -4.686 12.422 -1.286 1.00 0.00 O ATOM 591 CB PRO A 41 -7.793 11.573 -0.901 1.00 0.00 C ATOM 592 CG PRO A 41 -7.582 11.907 0.535 1.00 0.00 C ATOM 593 CD PRO A 41 -6.740 10.797 1.100 1.00 0.00 C ATOM 0 HA PRO A 41 -6.662 10.086 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.963 12.471 -1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.665 10.932 -1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.082 12.869 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.533 11.982 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.071 11.158 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.354 10.013 1.543 1.00 0.00 H new ATOM 601 N GLN A 42 -5.669 12.038 -3.274 1.00 0.00 N ATOM 602 CA GLN A 42 -4.802 12.957 -4.003 1.00 0.00 C ATOM 603 C GLN A 42 -3.383 12.926 -3.444 1.00 0.00 C ATOM 604 O GLN A 42 -2.712 13.954 -3.370 1.00 0.00 O ATOM 605 CB GLN A 42 -5.359 14.380 -3.934 1.00 0.00 C ATOM 606 CG GLN A 42 -6.447 14.657 -4.958 1.00 0.00 C ATOM 607 CD GLN A 42 -6.992 16.069 -4.864 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.236 17.041 -4.891 1.00 0.00 O ATOM 609 NE2 GLN A 42 -8.309 16.189 -4.751 1.00 0.00 N ATOM 0 H GLN A 42 -6.368 11.569 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.770 12.637 -5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.758 14.557 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.544 15.088 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.049 14.491 -5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.262 13.947 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.897 15.356 -4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.733 17.114 -4.682 1.00 0.00 H new ATOM 618 N GLY A 43 -2.933 11.738 -3.051 1.00 0.00 N ATOM 619 CA GLY A 43 -1.597 11.595 -2.503 1.00 0.00 C ATOM 620 C GLY A 43 -0.654 10.882 -3.453 1.00 0.00 C ATOM 621 O GLY A 43 -1.024 10.563 -4.583 1.00 0.00 O ATOM 0 H GLY A 43 -3.470 10.872 -3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.196 12.581 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.650 11.042 -1.565 1.00 0.00 H new ATOM 625 N VAL A 44 0.569 10.634 -2.994 1.00 0.00 N ATOM 626 CA VAL A 44 1.568 9.955 -3.811 1.00 0.00 C ATOM 627 C VAL A 44 1.094 8.564 -4.215 1.00 0.00 C ATOM 628 O VAL A 44 1.349 8.110 -5.330 1.00 0.00 O ATOM 629 CB VAL A 44 2.911 9.832 -3.067 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.926 9.085 -3.918 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.435 11.208 -2.683 1.00 0.00 C ATOM 0 H VAL A 44 0.891 10.893 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 44 1.711 10.561 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 44 2.749 9.262 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.869 9.008 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.551 8.085 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.087 9.626 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.384 11.102 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.582 11.805 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.714 11.703 -2.033 1.00 0.00 H new ATOM 641 N ALA A 45 0.402 7.891 -3.301 1.00 0.00 N ATOM 642 CA ALA A 45 -0.110 6.552 -3.563 1.00 0.00 C ATOM 643 C ALA A 45 -1.232 6.586 -4.595 1.00 0.00 C ATOM 644 O ALA A 45 -1.066 6.119 -5.722 1.00 0.00 O ATOM 645 CB ALA A 45 -0.597 5.911 -2.272 1.00 0.00 C ATOM 0 H ALA A 45 0.183 8.252 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 45 0.704 5.951 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.977 4.911 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.230 5.844 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.393 6.518 -1.842 1.00 0.00 H new ATOM 651 N MET A 46 -2.374 7.140 -4.202 1.00 0.00 N ATOM 652 CA MET A 46 -3.524 7.234 -5.095 1.00 0.00 C ATOM 653 C MET A 46 -3.092 7.660 -6.494 1.00 0.00 C ATOM 654 O MET A 46 -3.755 7.341 -7.482 1.00 0.00 O ATOM 655 CB MET A 46 -4.547 8.228 -4.540 1.00 0.00 C ATOM 656 CG MET A 46 -5.891 8.174 -5.247 1.00 0.00 C ATOM 657 SD MET A 46 -6.671 6.552 -5.135 1.00 0.00 S ATOM 658 CE MET A 46 -7.940 6.870 -3.912 1.00 0.00 C ATOM 0 H MET A 46 -2.528 7.530 -3.272 1.00 0.00 H new ATOM 0 HA MET A 46 -3.984 6.248 -5.160 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.696 8.029 -3.479 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.143 9.237 -4.622 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.555 8.923 -4.815 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.756 8.436 -6.296 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.510 5.958 -3.734 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.475 7.195 -2.981 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.608 7.651 -4.276 1.00 0.00 H new ATOM 668 N ARG A 47 -1.978 8.380 -6.572 1.00 0.00 N ATOM 669 CA ARG A 47 -1.460 8.850 -7.851 1.00 0.00 C ATOM 670 C ARG A 47 -0.742 7.726 -8.592 1.00 0.00 C ATOM 671 O ARG A 47 -0.826 7.623 -9.816 1.00 0.00 O ATOM 672 CB ARG A 47 -0.505 10.026 -7.638 1.00 0.00 C ATOM 673 CG ARG A 47 -0.227 10.822 -8.902 1.00 0.00 C ATOM 674 CD ARG A 47 -1.421 11.677 -9.295 1.00 0.00 C ATOM 675 NE ARG A 47 -1.342 12.121 -10.685 1.00 0.00 N ATOM 676 CZ ARG A 47 -2.396 12.516 -11.391 1.00 0.00 C ATOM 677 NH1 ARG A 47 -3.602 12.522 -10.841 1.00 0.00 N ATOM 678 NH2 ARG A 47 -2.244 12.905 -12.650 1.00 0.00 N ATOM 0 H ARG A 47 -1.417 8.651 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.304 9.181 -8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.925 10.692 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.438 9.650 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.644 11.460 -8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.018 10.140 -9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.339 11.108 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.476 12.546 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.428 12.128 -11.138 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.723 12.223 -9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.409 12.826 -11.385 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.318 12.901 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.054 13.208 -13.191 1.00 0.00 H new ATOM 692 N ALA A 48 -0.036 6.886 -7.842 1.00 0.00 N ATOM 693 CA ALA A 48 0.696 5.769 -8.428 1.00 0.00 C ATOM 694 C ALA A 48 -0.260 4.720 -8.987 1.00 0.00 C ATOM 695 O ALA A 48 0.118 3.911 -9.833 1.00 0.00 O ATOM 696 CB ALA A 48 1.622 5.144 -7.395 1.00 0.00 C ATOM 0 H ALA A 48 0.045 6.958 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 48 1.296 6.153 -9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.162 4.312 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.334 5.891 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.034 4.781 -6.552 1.00 0.00 H new ATOM 702 N GLY A 49 -1.500 4.740 -8.508 1.00 0.00 N ATOM 703 CA GLY A 49 -2.490 3.785 -8.972 1.00 0.00 C ATOM 704 C GLY A 49 -2.653 2.614 -8.024 1.00 0.00 C ATOM 705 O GLY A 49 -2.890 1.485 -8.455 1.00 0.00 O ATOM 0 H GLY A 49 -1.837 5.400 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.449 4.289 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.201 3.415 -9.956 1.00 0.00 H new ATOM 709 N VAL A 50 -2.525 2.880 -6.728 1.00 0.00 N ATOM 710 CA VAL A 50 -2.660 1.839 -5.716 1.00 0.00 C ATOM 711 C VAL A 50 -3.932 2.029 -4.898 1.00 0.00 C ATOM 712 O VAL A 50 -4.215 3.127 -4.415 1.00 0.00 O ATOM 713 CB VAL A 50 -1.448 1.821 -4.765 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.349 3.133 -4.002 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.541 0.642 -3.808 1.00 0.00 C ATOM 0 H VAL A 50 -2.328 3.808 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.711 0.887 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.542 1.706 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.487 3.102 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.233 3.956 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.256 3.282 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.677 0.644 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.454 0.724 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.559 -0.288 -4.377 1.00 0.00 H new ATOM 725 N LEU A 51 -4.696 0.953 -4.744 1.00 0.00 N ATOM 726 CA LEU A 51 -5.939 1.001 -3.983 1.00 0.00 C ATOM 727 C LEU A 51 -5.753 0.389 -2.598 1.00 0.00 C ATOM 728 O LEU A 51 -4.746 -0.264 -2.327 1.00 0.00 O ATOM 729 CB LEU A 51 -7.049 0.262 -4.734 1.00 0.00 C ATOM 730 CG LEU A 51 -6.750 -1.188 -5.116 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.146 -2.130 -3.990 1.00 0.00 C ATOM 732 CD2 LEU A 51 -7.472 -1.559 -6.403 1.00 0.00 C ATOM 0 H LEU A 51 -4.476 0.037 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.223 2.047 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.949 0.277 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.276 0.817 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.677 -1.286 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.926 -3.157 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.584 -1.879 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.213 -2.030 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.248 -2.594 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.547 -1.444 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.139 -0.905 -7.209 1.00 0.00 H new ATOM 744 N ALA A 52 -6.732 0.604 -1.725 1.00 0.00 N ATOM 745 CA ALA A 52 -6.678 0.071 -0.370 1.00 0.00 C ATOM 746 C ALA A 52 -6.915 -1.435 -0.363 1.00 0.00 C ATOM 747 O ALA A 52 -7.420 -1.999 -1.334 1.00 0.00 O ATOM 748 CB ALA A 52 -7.700 0.772 0.514 1.00 0.00 C ATOM 0 H ALA A 52 -7.572 1.144 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.681 0.258 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.649 0.364 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.484 1.840 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.700 0.615 0.109 1.00 0.00 H new ATOM 754 N ASP A 53 -6.545 -2.082 0.737 1.00 0.00 N ATOM 755 CA ASP A 53 -6.717 -3.524 0.871 1.00 0.00 C ATOM 756 C ASP A 53 -5.987 -4.264 -0.246 1.00 0.00 C ATOM 757 O ASP A 53 -6.560 -5.131 -0.908 1.00 0.00 O ATOM 758 CB ASP A 53 -8.203 -3.886 0.852 1.00 0.00 C ATOM 759 CG ASP A 53 -8.955 -3.305 2.034 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.429 -3.375 3.165 1.00 0.00 O ATOM 761 OD2 ASP A 53 -10.068 -2.778 1.827 1.00 0.00 O ATOM 0 H ASP A 53 -6.124 -1.630 1.549 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.289 -3.829 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.651 -3.524 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.310 -4.971 0.854 1.00 0.00 H new ATOM 766 N ASP A 54 -4.722 -3.916 -0.451 1.00 0.00 N ATOM 767 CA ASP A 54 -3.913 -4.547 -1.488 1.00 0.00 C ATOM 768 C ASP A 54 -2.817 -5.411 -0.871 1.00 0.00 C ATOM 769 O ASP A 54 -1.832 -4.897 -0.341 1.00 0.00 O ATOM 770 CB ASP A 54 -3.293 -3.485 -2.397 1.00 0.00 C ATOM 771 CG ASP A 54 -4.177 -3.148 -3.581 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.107 -3.931 -3.869 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.941 -2.102 -4.219 1.00 0.00 O ATOM 0 H ASP A 54 -4.234 -3.200 0.087 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.563 -5.188 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.105 -2.580 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.327 -3.839 -2.758 1.00 0.00 H new ATOM 778 N HIS A 55 -2.996 -6.726 -0.944 1.00 0.00 N ATOM 779 CA HIS A 55 -2.022 -7.661 -0.393 1.00 0.00 C ATOM 780 C HIS A 55 -0.623 -7.364 -0.924 1.00 0.00 C ATOM 781 O HIS A 55 -0.282 -7.735 -2.048 1.00 0.00 O ATOM 782 CB HIS A 55 -2.415 -9.099 -0.734 1.00 0.00 C ATOM 783 CG HIS A 55 -1.778 -10.121 0.157 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.218 -11.426 0.239 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.729 -10.025 1.005 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.467 -12.087 1.102 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.555 -11.260 1.580 1.00 0.00 N ATOM 0 H HIS A 55 -3.806 -7.168 -1.379 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.013 -7.542 0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.499 -9.196 -0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.139 -9.307 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.138 -9.141 1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.580 -13.127 1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.162 -11.500 2.265 1.00 0.00 H new ATOM 796 N LEU A 56 0.184 -6.693 -0.108 1.00 0.00 N ATOM 797 CA LEU A 56 1.546 -6.345 -0.496 1.00 0.00 C ATOM 798 C LEU A 56 2.307 -7.577 -0.977 1.00 0.00 C ATOM 799 O LEU A 56 2.427 -8.566 -0.254 1.00 0.00 O ATOM 800 CB LEU A 56 2.284 -5.704 0.681 1.00 0.00 C ATOM 801 CG LEU A 56 3.297 -4.615 0.325 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.637 -3.245 0.346 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.480 -4.654 1.282 1.00 0.00 C ATOM 0 H LEU A 56 -0.082 -6.380 0.826 1.00 0.00 H new ATOM 0 HA LEU A 56 1.492 -5.630 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.545 -5.277 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.803 -6.490 1.230 1.00 0.00 H new ATOM 0 HG LEU A 56 3.665 -4.803 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.373 -2.483 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.824 -3.222 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.241 -3.047 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.191 -3.872 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.129 -4.491 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.968 -5.626 1.217 1.00 0.00 H new ATOM 815 N ILE A 57 2.820 -7.508 -2.201 1.00 0.00 N ATOM 816 CA ILE A 57 3.571 -8.616 -2.778 1.00 0.00 C ATOM 817 C ILE A 57 5.066 -8.457 -2.523 1.00 0.00 C ATOM 818 O ILE A 57 5.731 -9.389 -2.071 1.00 0.00 O ATOM 819 CB ILE A 57 3.330 -8.731 -4.294 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.843 -8.950 -4.581 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.159 -9.866 -4.878 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.328 -10.293 -4.113 1.00 0.00 C ATOM 0 H ILE A 57 2.729 -6.696 -2.812 1.00 0.00 H new ATOM 0 HA ILE A 57 3.216 -9.525 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 57 3.640 -7.799 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.268 -8.161 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.671 -8.858 -5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.978 -9.935 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.217 -9.673 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.877 -10.805 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.267 -10.378 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.877 -11.089 -4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.468 -10.381 -3.036 1.00 0.00 H new ATOM 834 N GLU A 58 5.588 -7.270 -2.814 1.00 0.00 N ATOM 835 CA GLU A 58 7.005 -6.990 -2.616 1.00 0.00 C ATOM 836 C GLU A 58 7.265 -5.486 -2.598 1.00 0.00 C ATOM 837 O GLU A 58 6.369 -4.687 -2.867 1.00 0.00 O ATOM 838 CB GLU A 58 7.838 -7.649 -3.717 1.00 0.00 C ATOM 839 CG GLU A 58 7.436 -7.226 -5.120 1.00 0.00 C ATOM 840 CD GLU A 58 8.256 -7.914 -6.194 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.090 -9.139 -6.374 1.00 0.00 O ATOM 842 OE2 GLU A 58 9.063 -7.227 -6.855 1.00 0.00 O ATOM 0 H GLU A 58 5.051 -6.487 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 58 7.299 -7.404 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.889 -7.406 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.745 -8.732 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.381 -7.450 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.550 -6.146 -5.217 1.00 0.00 H new ATOM 849 N VAL A 59 8.499 -5.109 -2.278 1.00 0.00 N ATOM 850 CA VAL A 59 8.878 -3.702 -2.225 1.00 0.00 C ATOM 851 C VAL A 59 10.268 -3.485 -2.814 1.00 0.00 C ATOM 852 O VAL A 59 11.253 -4.037 -2.327 1.00 0.00 O ATOM 853 CB VAL A 59 8.856 -3.168 -0.780 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.228 -1.694 -0.750 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.491 -3.396 -0.150 1.00 0.00 C ATOM 0 H VAL A 59 9.253 -5.758 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 59 8.145 -3.154 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 59 9.596 -3.716 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.207 -1.334 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.229 -1.563 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.514 -1.126 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.493 -3.013 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.730 -2.875 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.270 -4.463 -0.137 1.00 0.00 H new ATOM 865 N ASN A 60 10.339 -2.676 -3.866 1.00 0.00 N ATOM 866 CA ASN A 60 11.608 -2.385 -4.523 1.00 0.00 C ATOM 867 C ASN A 60 12.225 -3.655 -5.101 1.00 0.00 C ATOM 868 O ASN A 60 13.442 -3.753 -5.253 1.00 0.00 O ATOM 869 CB ASN A 60 12.580 -1.737 -3.535 1.00 0.00 C ATOM 870 CG ASN A 60 13.578 -0.823 -4.220 1.00 0.00 C ATOM 871 OD1 ASN A 60 14.401 -1.272 -5.018 1.00 0.00 O ATOM 872 ND2 ASN A 60 13.508 0.467 -3.912 1.00 0.00 N ATOM 0 H ASN A 60 9.532 -2.210 -4.282 1.00 0.00 H new ATOM 0 HA ASN A 60 11.415 -1.691 -5.341 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.017 -1.167 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.117 -2.516 -2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.153 1.130 -4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.809 0.795 -3.245 1.00 0.00 H new ATOM 879 N GLY A 61 11.375 -4.626 -5.423 1.00 0.00 N ATOM 880 CA GLY A 61 11.855 -5.876 -5.981 1.00 0.00 C ATOM 881 C GLY A 61 12.303 -6.854 -4.913 1.00 0.00 C ATOM 882 O GLY A 61 13.252 -7.611 -5.116 1.00 0.00 O ATOM 0 H GLY A 61 10.363 -4.569 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.064 -6.331 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.687 -5.673 -6.656 1.00 0.00 H new ATOM 886 N GLU A 62 11.620 -6.836 -3.773 1.00 0.00 N ATOM 887 CA GLU A 62 11.957 -7.727 -2.668 1.00 0.00 C ATOM 888 C GLU A 62 10.710 -8.427 -2.135 1.00 0.00 C ATOM 889 O GLU A 62 9.879 -7.814 -1.467 1.00 0.00 O ATOM 890 CB GLU A 62 12.637 -6.945 -1.542 1.00 0.00 C ATOM 891 CG GLU A 62 14.108 -6.665 -1.799 1.00 0.00 C ATOM 892 CD GLU A 62 14.766 -5.911 -0.660 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.675 -4.666 -0.640 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.372 -6.567 0.213 1.00 0.00 O ATOM 0 H GLU A 62 10.831 -6.216 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 62 12.646 -8.484 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.115 -5.999 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.539 -7.505 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.632 -7.608 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.209 -6.088 -2.718 1.00 0.00 H new ATOM 901 N ASN A 63 10.588 -9.716 -2.436 1.00 0.00 N ATOM 902 CA ASN A 63 9.443 -10.500 -1.988 1.00 0.00 C ATOM 903 C ASN A 63 9.212 -10.320 -0.490 1.00 0.00 C ATOM 904 O ASN A 63 10.000 -10.788 0.331 1.00 0.00 O ATOM 905 CB ASN A 63 9.656 -11.981 -2.307 1.00 0.00 C ATOM 906 CG ASN A 63 9.407 -12.299 -3.769 1.00 0.00 C ATOM 907 OD1 ASN A 63 10.342 -12.553 -4.529 1.00 0.00 O ATOM 908 ND2 ASN A 63 8.141 -12.284 -4.170 1.00 0.00 N ATOM 0 H ASN A 63 11.268 -10.239 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 63 8.561 -10.143 -2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.676 -12.263 -2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.990 -12.583 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.912 -12.488 -5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.398 -12.068 -3.505 1.00 0.00 H new ATOM 915 N VAL A 64 8.125 -9.638 -0.143 1.00 0.00 N ATOM 916 CA VAL A 64 7.789 -9.396 1.255 1.00 0.00 C ATOM 917 C VAL A 64 6.388 -9.903 1.579 1.00 0.00 C ATOM 918 O VAL A 64 5.775 -9.478 2.558 1.00 0.00 O ATOM 919 CB VAL A 64 7.874 -7.898 1.603 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.308 -7.404 1.486 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.948 -7.090 0.706 1.00 0.00 C ATOM 0 H VAL A 64 7.462 -9.243 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 64 8.518 -9.942 1.854 1.00 0.00 H new ATOM 0 HB VAL A 64 7.551 -7.763 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.349 -6.344 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.943 -7.963 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.661 -7.551 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.020 -6.034 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.238 -7.229 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.921 -7.428 0.845 1.00 0.00 H new ATOM 931 N GLU A 65 5.887 -10.814 0.750 1.00 0.00 N ATOM 932 CA GLU A 65 4.558 -11.378 0.948 1.00 0.00 C ATOM 933 C GLU A 65 4.367 -11.825 2.394 1.00 0.00 C ATOM 934 O GLU A 65 3.314 -11.599 2.991 1.00 0.00 O ATOM 935 CB GLU A 65 4.335 -12.561 0.003 1.00 0.00 C ATOM 936 CG GLU A 65 4.661 -12.250 -1.448 1.00 0.00 C ATOM 937 CD GLU A 65 6.103 -12.560 -1.801 1.00 0.00 C ATOM 938 OE1 GLU A 65 6.391 -13.724 -2.152 1.00 0.00 O ATOM 939 OE2 GLU A 65 6.944 -11.640 -1.725 1.00 0.00 O ATOM 0 H GLU A 65 6.382 -11.177 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 65 3.825 -10.602 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.948 -13.399 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.295 -12.880 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.000 -12.825 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.461 -11.196 -1.644 1.00 0.00 H new ATOM 946 N ASP A 66 5.392 -12.461 2.951 1.00 0.00 N ATOM 947 CA ASP A 66 5.338 -12.940 4.327 1.00 0.00 C ATOM 948 C ASP A 66 6.372 -12.226 5.192 1.00 0.00 C ATOM 949 O ASP A 66 7.045 -12.848 6.013 1.00 0.00 O ATOM 950 CB ASP A 66 5.573 -14.451 4.373 1.00 0.00 C ATOM 951 CG ASP A 66 6.578 -14.913 3.336 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.787 -14.667 3.531 1.00 0.00 O ATOM 953 OD2 ASP A 66 6.156 -15.520 2.330 1.00 0.00 O ATOM 0 H ASP A 66 6.270 -12.657 2.471 1.00 0.00 H new ATOM 0 HA ASP A 66 4.346 -12.722 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.925 -14.731 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.627 -14.968 4.213 1.00 0.00 H new ATOM 958 N ALA A 67 6.493 -10.916 5.000 1.00 0.00 N ATOM 959 CA ALA A 67 7.444 -10.117 5.763 1.00 0.00 C ATOM 960 C ALA A 67 6.725 -9.183 6.730 1.00 0.00 C ATOM 961 O ALA A 67 5.700 -8.592 6.390 1.00 0.00 O ATOM 962 CB ALA A 67 8.338 -9.321 4.823 1.00 0.00 C ATOM 0 H ALA A 67 5.944 -10.386 4.323 1.00 0.00 H new ATOM 0 HA ALA A 67 8.064 -10.796 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.043 -8.729 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.887 -10.006 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.725 -8.658 4.213 1.00 0.00 H new ATOM 968 N SER A 68 7.268 -9.055 7.936 1.00 0.00 N ATOM 969 CA SER A 68 6.675 -8.196 8.954 1.00 0.00 C ATOM 970 C SER A 68 6.797 -6.726 8.563 1.00 0.00 C ATOM 971 O SER A 68 7.753 -6.326 7.898 1.00 0.00 O ATOM 972 CB SER A 68 7.348 -8.433 10.307 1.00 0.00 C ATOM 973 OG SER A 68 6.792 -9.559 10.964 1.00 0.00 O ATOM 0 H SER A 68 8.118 -9.535 8.232 1.00 0.00 H new ATOM 0 HA SER A 68 5.617 -8.446 9.034 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.418 -8.584 10.163 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.232 -7.549 10.934 1.00 0.00 H new ATOM 0 HG SER A 68 7.241 -9.690 11.825 1.00 0.00 H new ATOM 979 N HIS A 69 5.822 -5.926 8.982 1.00 0.00 N ATOM 980 CA HIS A 69 5.820 -4.499 8.677 1.00 0.00 C ATOM 981 C HIS A 69 7.212 -3.902 8.860 1.00 0.00 C ATOM 982 O HIS A 69 7.711 -3.191 7.988 1.00 0.00 O ATOM 983 CB HIS A 69 4.817 -3.767 9.569 1.00 0.00 C ATOM 984 CG HIS A 69 4.575 -2.347 9.158 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.607 -1.552 9.734 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.183 -1.580 8.223 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.629 -0.357 9.170 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.577 -0.348 8.250 1.00 0.00 N ATOM 0 H HIS A 69 5.024 -6.241 9.533 1.00 0.00 H new ATOM 0 HA HIS A 69 5.526 -4.376 7.635 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.870 -4.307 9.556 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.179 -3.782 10.597 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.973 -1.841 10.479 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.994 -1.881 7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.982 0.471 9.419 1.00 0.00 H new ATOM 997 N GLU A 70 7.831 -4.196 9.999 1.00 0.00 N ATOM 998 CA GLU A 70 9.165 -3.686 10.295 1.00 0.00 C ATOM 999 C GLU A 70 10.130 -3.989 9.153 1.00 0.00 C ATOM 1000 O GLU A 70 10.945 -3.148 8.776 1.00 0.00 O ATOM 1001 CB GLU A 70 9.690 -4.295 11.597 1.00 0.00 C ATOM 1002 CG GLU A 70 9.679 -5.814 11.606 1.00 0.00 C ATOM 1003 CD GLU A 70 10.496 -6.397 12.743 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.740 -6.312 12.685 1.00 0.00 O ATOM 1005 OE2 GLU A 70 9.889 -6.939 13.691 1.00 0.00 O ATOM 0 H GLU A 70 7.431 -4.783 10.731 1.00 0.00 H new ATOM 0 HA GLU A 70 9.095 -2.604 10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.709 -3.946 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.086 -3.931 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.650 -6.166 11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.069 -6.182 10.657 1.00 0.00 H new ATOM 1012 N GLU A 71 10.031 -5.198 8.608 1.00 0.00 N ATOM 1013 CA GLU A 71 10.896 -5.613 7.510 1.00 0.00 C ATOM 1014 C GLU A 71 10.635 -4.772 6.264 1.00 0.00 C ATOM 1015 O GLU A 71 11.544 -4.509 5.476 1.00 0.00 O ATOM 1016 CB GLU A 71 10.681 -7.094 7.194 1.00 0.00 C ATOM 1017 CG GLU A 71 11.052 -8.021 8.340 1.00 0.00 C ATOM 1018 CD GLU A 71 11.475 -9.397 7.863 1.00 0.00 C ATOM 1019 OE1 GLU A 71 11.969 -9.504 6.722 1.00 0.00 O ATOM 1020 OE2 GLU A 71 11.313 -10.367 8.634 1.00 0.00 O ATOM 0 H GLU A 71 9.361 -5.906 8.909 1.00 0.00 H new ATOM 0 HA GLU A 71 11.930 -5.462 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.635 -7.253 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.272 -7.359 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.863 -7.575 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.200 -8.120 9.013 1.00 0.00 H new ATOM 1027 N VAL A 72 9.385 -4.354 6.091 1.00 0.00 N ATOM 1028 CA VAL A 72 9.002 -3.543 4.941 1.00 0.00 C ATOM 1029 C VAL A 72 9.314 -2.070 5.179 1.00 0.00 C ATOM 1030 O VAL A 72 10.153 -1.483 4.496 1.00 0.00 O ATOM 1031 CB VAL A 72 7.503 -3.694 4.622 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.102 -2.763 3.488 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.175 -5.139 4.277 1.00 0.00 C ATOM 0 H VAL A 72 8.620 -4.564 6.733 1.00 0.00 H new ATOM 0 HA VAL A 72 9.584 -3.902 4.092 1.00 0.00 H new ATOM 0 HB VAL A 72 6.931 -3.417 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.040 -2.884 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.299 -1.731 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.679 -3.006 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.112 -5.228 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.755 -5.446 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.423 -5.780 5.123 1.00 0.00 H new ATOM 1043 N VAL A 73 8.633 -1.477 6.155 1.00 0.00 N ATOM 1044 CA VAL A 73 8.838 -0.072 6.486 1.00 0.00 C ATOM 1045 C VAL A 73 10.303 0.321 6.330 1.00 0.00 C ATOM 1046 O VAL A 73 10.616 1.397 5.821 1.00 0.00 O ATOM 1047 CB VAL A 73 8.385 0.238 7.925 1.00 0.00 C ATOM 1048 CG1 VAL A 73 8.994 -0.755 8.902 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.752 1.665 8.303 1.00 0.00 C ATOM 0 H VAL A 73 7.935 -1.948 6.730 1.00 0.00 H new ATOM 0 HA VAL A 73 8.233 0.509 5.790 1.00 0.00 H new ATOM 0 HB VAL A 73 7.300 0.141 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.663 -0.520 9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.675 -1.764 8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.081 -0.694 8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.425 1.867 9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.832 1.792 8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.262 2.360 7.620 1.00 0.00 H new ATOM 1059 N GLU A 74 11.196 -0.558 6.773 1.00 0.00 N ATOM 1060 CA GLU A 74 12.629 -0.302 6.683 1.00 0.00 C ATOM 1061 C GLU A 74 13.113 -0.418 5.240 1.00 0.00 C ATOM 1062 O GLU A 74 13.880 0.417 4.761 1.00 0.00 O ATOM 1063 CB GLU A 74 13.401 -1.280 7.571 1.00 0.00 C ATOM 1064 CG GLU A 74 13.353 -2.717 7.080 1.00 0.00 C ATOM 1065 CD GLU A 74 14.006 -3.686 8.046 1.00 0.00 C ATOM 1066 OE1 GLU A 74 13.412 -3.949 9.113 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.110 -4.181 7.737 1.00 0.00 O ATOM 0 H GLU A 74 10.953 -1.453 7.198 1.00 0.00 H new ATOM 0 HA GLU A 74 12.813 0.715 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.441 -0.960 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.996 -1.237 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.314 -3.009 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.851 -2.783 6.113 1.00 0.00 H new ATOM 1074 N LYS A 75 12.659 -1.461 4.552 1.00 0.00 N ATOM 1075 CA LYS A 75 13.043 -1.688 3.164 1.00 0.00 C ATOM 1076 C LYS A 75 12.640 -0.507 2.287 1.00 0.00 C ATOM 1077 O LYS A 75 13.179 -0.317 1.197 1.00 0.00 O ATOM 1078 CB LYS A 75 12.397 -2.971 2.638 1.00 0.00 C ATOM 1079 CG LYS A 75 13.172 -4.230 2.988 1.00 0.00 C ATOM 1080 CD LYS A 75 12.340 -5.480 2.754 1.00 0.00 C ATOM 1081 CE LYS A 75 13.213 -6.667 2.374 1.00 0.00 C ATOM 1082 NZ LYS A 75 12.531 -7.964 2.641 1.00 0.00 N ATOM 0 H LYS A 75 12.024 -2.162 4.934 1.00 0.00 H new ATOM 0 HA LYS A 75 14.127 -1.792 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.388 -3.052 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.302 -2.902 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.080 -4.278 2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.483 -4.189 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.775 -5.716 3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.614 -5.293 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.472 -6.604 1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.147 -6.625 2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.236 -8.677 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.843 -7.842 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.036 -8.279 1.782 1.00 0.00 H new ATOM 1096 N VAL A 76 11.689 0.286 2.771 1.00 0.00 N ATOM 1097 CA VAL A 76 11.215 1.450 2.033 1.00 0.00 C ATOM 1098 C VAL A 76 12.064 2.679 2.339 1.00 0.00 C ATOM 1099 O VAL A 76 12.707 3.240 1.452 1.00 0.00 O ATOM 1100 CB VAL A 76 9.743 1.763 2.362 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.301 3.043 1.670 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.850 0.597 1.965 1.00 0.00 C ATOM 0 H VAL A 76 11.232 0.143 3.672 1.00 0.00 H new ATOM 0 HA VAL A 76 11.300 1.208 0.974 1.00 0.00 H new ATOM 0 HB VAL A 76 9.653 1.911 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.259 3.247 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.922 3.872 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.405 2.928 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.813 0.835 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.943 0.416 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.153 -0.296 2.512 1.00 0.00 H new ATOM 1112 N LYS A 77 12.063 3.092 3.602 1.00 0.00 N ATOM 1113 CA LYS A 77 12.835 4.253 4.028 1.00 0.00 C ATOM 1114 C LYS A 77 14.310 4.084 3.679 1.00 0.00 C ATOM 1115 O LYS A 77 15.026 5.064 3.471 1.00 0.00 O ATOM 1116 CB LYS A 77 12.678 4.471 5.535 1.00 0.00 C ATOM 1117 CG LYS A 77 12.932 3.221 6.359 1.00 0.00 C ATOM 1118 CD LYS A 77 12.147 3.242 7.660 1.00 0.00 C ATOM 1119 CE LYS A 77 12.708 4.267 8.633 1.00 0.00 C ATOM 1120 NZ LYS A 77 12.164 5.630 8.378 1.00 0.00 N ATOM 0 H LYS A 77 11.536 2.639 4.349 1.00 0.00 H new ATOM 0 HA LYS A 77 12.453 5.126 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.367 5.253 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.670 4.832 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.655 2.340 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.997 3.138 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.102 3.470 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.172 2.253 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.471 3.967 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.795 4.289 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.065 6.139 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.813 6.152 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.233 5.552 7.921 1.00 0.00 H new ATOM 1134 N LYS A 78 14.759 2.835 3.614 1.00 0.00 N ATOM 1135 CA LYS A 78 16.148 2.536 3.288 1.00 0.00 C ATOM 1136 C LYS A 78 16.410 2.729 1.797 1.00 0.00 C ATOM 1137 O LYS A 78 17.371 3.391 1.407 1.00 0.00 O ATOM 1138 CB LYS A 78 16.492 1.102 3.696 1.00 0.00 C ATOM 1139 CG LYS A 78 16.771 0.942 5.180 1.00 0.00 C ATOM 1140 CD LYS A 78 17.719 -0.215 5.448 1.00 0.00 C ATOM 1141 CE LYS A 78 17.448 -0.857 6.800 1.00 0.00 C ATOM 1142 NZ LYS A 78 17.548 0.129 7.912 1.00 0.00 N ATOM 0 H LYS A 78 14.180 2.013 3.783 1.00 0.00 H new ATOM 0 HA LYS A 78 16.783 3.227 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.667 0.446 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.365 0.773 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.201 1.864 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.834 0.776 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.614 -0.962 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.748 0.141 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.453 -1.302 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.159 -1.666 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.475 -0.367 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.463 0.621 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.777 0.822 7.832 1.00 0.00 H new ATOM 1156 N SER A 79 15.548 2.147 0.970 1.00 0.00 N ATOM 1157 CA SER A 79 15.688 2.253 -0.478 1.00 0.00 C ATOM 1158 C SER A 79 16.272 3.607 -0.870 1.00 0.00 C ATOM 1159 O SER A 79 17.148 3.693 -1.729 1.00 0.00 O ATOM 1160 CB SER A 79 14.332 2.054 -1.159 1.00 0.00 C ATOM 1161 OG SER A 79 14.407 2.355 -2.542 1.00 0.00 O ATOM 0 H SER A 79 14.746 1.597 1.277 1.00 0.00 H new ATOM 0 HA SER A 79 16.372 1.472 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.002 1.024 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.586 2.692 -0.685 1.00 0.00 H new ATOM 0 HG SER A 79 13.674 2.959 -2.786 1.00 0.00 H new ATOM 1167 N GLY A 80 15.779 4.664 -0.231 1.00 0.00 N ATOM 1168 CA GLY A 80 16.263 6.000 -0.526 1.00 0.00 C ATOM 1169 C GLY A 80 15.146 7.024 -0.575 1.00 0.00 C ATOM 1170 O GLY A 80 14.798 7.622 0.443 1.00 0.00 O ATOM 0 H GLY A 80 15.054 4.619 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.989 6.295 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.785 5.991 -1.483 1.00 0.00 H new ATOM 1174 N SER A 81 14.585 7.228 -1.762 1.00 0.00 N ATOM 1175 CA SER A 81 13.504 8.190 -1.942 1.00 0.00 C ATOM 1176 C SER A 81 12.359 7.578 -2.743 1.00 0.00 C ATOM 1177 O SER A 81 11.187 7.843 -2.473 1.00 0.00 O ATOM 1178 CB SER A 81 14.022 9.445 -2.648 1.00 0.00 C ATOM 1179 OG SER A 81 13.278 10.589 -2.267 1.00 0.00 O ATOM 0 H SER A 81 14.861 6.740 -2.614 1.00 0.00 H new ATOM 0 HA SER A 81 13.128 8.465 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 81 15.074 9.594 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.960 9.310 -3.728 1.00 0.00 H new ATOM 0 HG SER A 81 13.630 11.377 -2.731 1.00 0.00 H new ATOM 1185 N ARG A 82 12.707 6.758 -3.729 1.00 0.00 N ATOM 1186 CA ARG A 82 11.709 6.109 -4.570 1.00 0.00 C ATOM 1187 C ARG A 82 11.681 4.604 -4.318 1.00 0.00 C ATOM 1188 O ARG A 82 12.709 3.994 -4.024 1.00 0.00 O ATOM 1189 CB ARG A 82 11.999 6.384 -6.047 1.00 0.00 C ATOM 1190 CG ARG A 82 12.132 7.862 -6.377 1.00 0.00 C ATOM 1191 CD ARG A 82 12.894 8.076 -7.675 1.00 0.00 C ATOM 1192 NE ARG A 82 12.055 7.846 -8.847 1.00 0.00 N ATOM 1193 CZ ARG A 82 12.330 8.326 -10.055 1.00 0.00 C ATOM 1194 NH1 ARG A 82 13.417 9.059 -10.248 1.00 0.00 N ATOM 1195 NH2 ARG A 82 11.517 8.073 -11.072 1.00 0.00 N ATOM 0 H ARG A 82 13.672 6.527 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 82 10.733 6.521 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.920 5.873 -6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.199 5.956 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.141 8.309 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.647 8.373 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.284 9.093 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.752 7.405 -7.706 1.00 0.00 H new ATOM 0 HE ARG A 82 11.211 7.286 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.045 9.256 -9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.626 9.426 -11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.679 7.509 -10.927 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.729 8.442 -11.999 1.00 0.00 H new ATOM 1209 N VAL A 83 10.497 4.012 -4.434 1.00 0.00 N ATOM 1210 CA VAL A 83 10.334 2.579 -4.220 1.00 0.00 C ATOM 1211 C VAL A 83 9.364 1.978 -5.231 1.00 0.00 C ATOM 1212 O VAL A 83 8.752 2.696 -6.021 1.00 0.00 O ATOM 1213 CB VAL A 83 9.827 2.279 -2.797 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.843 2.735 -1.760 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.478 2.942 -2.561 1.00 0.00 C ATOM 0 H VAL A 83 9.636 4.503 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 83 11.317 2.126 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 83 9.699 1.201 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.467 2.515 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.785 2.209 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.006 3.808 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.135 2.719 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.577 4.021 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.754 2.561 -3.282 1.00 0.00 H new ATOM 1225 N MET A 84 9.228 0.657 -5.199 1.00 0.00 N ATOM 1226 CA MET A 84 8.330 -0.041 -6.112 1.00 0.00 C ATOM 1227 C MET A 84 7.429 -1.010 -5.353 1.00 0.00 C ATOM 1228 O MET A 84 7.872 -2.070 -4.912 1.00 0.00 O ATOM 1229 CB MET A 84 9.133 -0.797 -7.172 1.00 0.00 C ATOM 1230 CG MET A 84 8.291 -1.746 -8.010 1.00 0.00 C ATOM 1231 SD MET A 84 9.289 -2.935 -8.927 1.00 0.00 S ATOM 1232 CE MET A 84 10.365 -1.837 -9.846 1.00 0.00 C ATOM 0 H MET A 84 9.728 0.048 -4.551 1.00 0.00 H new ATOM 0 HA MET A 84 7.702 0.702 -6.604 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.618 -0.077 -7.831 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.924 -1.363 -6.681 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.600 -2.283 -7.360 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.687 -1.168 -8.710 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.892 -2.403 -10.614 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.770 -1.054 -10.316 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.088 -1.385 -9.168 1.00 0.00 H new ATOM 1242 N PHE A 85 6.161 -0.639 -5.205 1.00 0.00 N ATOM 1243 CA PHE A 85 5.198 -1.475 -4.498 1.00 0.00 C ATOM 1244 C PHE A 85 4.356 -2.285 -5.480 1.00 0.00 C ATOM 1245 O PHE A 85 3.692 -1.726 -6.354 1.00 0.00 O ATOM 1246 CB PHE A 85 4.289 -0.612 -3.621 1.00 0.00 C ATOM 1247 CG PHE A 85 5.029 0.156 -2.564 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.593 -0.498 -1.480 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.160 1.533 -2.653 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.275 0.206 -0.506 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.841 2.242 -1.682 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.399 1.578 -0.607 1.00 0.00 C ATOM 0 H PHE A 85 5.777 0.235 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 85 5.752 -2.168 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.745 0.089 -4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.547 -1.251 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.498 -1.571 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.725 2.058 -3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.711 -0.316 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.937 3.315 -1.764 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.931 2.131 0.153 1.00 0.00 H new ATOM 1262 N LEU A 86 4.391 -3.604 -5.332 1.00 0.00 N ATOM 1263 CA LEU A 86 3.632 -4.492 -6.206 1.00 0.00 C ATOM 1264 C LEU A 86 2.492 -5.162 -5.444 1.00 0.00 C ATOM 1265 O LEU A 86 2.716 -5.843 -4.443 1.00 0.00 O ATOM 1266 CB LEU A 86 4.552 -5.556 -6.808 1.00 0.00 C ATOM 1267 CG LEU A 86 3.894 -6.546 -7.769 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.720 -5.919 -9.144 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.716 -7.824 -7.864 1.00 0.00 C ATOM 0 H LEU A 86 4.937 -4.083 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 86 3.205 -3.892 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.361 -5.051 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.006 -6.119 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 86 2.908 -6.800 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.250 -6.638 -9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.090 -5.033 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.695 -5.636 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.233 -8.517 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.715 -7.588 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.789 -8.284 -6.878 1.00 0.00 H new ATOM 1281 N LEU A 87 1.270 -4.966 -5.927 1.00 0.00 N ATOM 1282 CA LEU A 87 0.094 -5.552 -5.293 1.00 0.00 C ATOM 1283 C LEU A 87 -0.927 -5.989 -6.339 1.00 0.00 C ATOM 1284 O LEU A 87 -0.735 -5.776 -7.536 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.543 -4.551 -4.329 1.00 0.00 C ATOM 1286 CG LEU A 87 0.403 -3.525 -3.704 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.482 -2.276 -4.567 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.047 -3.174 -2.293 1.00 0.00 C ATOM 0 H LEU A 87 1.068 -4.406 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 87 0.414 -6.431 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.328 -4.014 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.025 -5.108 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 87 1.399 -3.965 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.160 -1.558 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.853 -2.541 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.510 -1.833 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.638 -2.443 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.052 -2.754 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.049 -4.074 -1.677 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.014 -6.600 -5.879 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.067 -7.063 -6.774 1.00 0.00 C ATOM 1302 C VAL A 88 -4.382 -6.343 -6.495 1.00 0.00 C ATOM 1303 O VAL A 88 -4.658 -5.949 -5.362 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.289 -8.582 -6.641 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.328 -9.060 -7.643 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.977 -9.329 -6.824 1.00 0.00 C ATOM 0 H VAL A 88 -2.188 -6.786 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.741 -6.838 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.663 -8.791 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.471 -10.135 -7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.273 -8.548 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.986 -8.840 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.152 -10.401 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.572 -9.116 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.266 -9.007 -6.063 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.189 -6.174 -7.536 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.477 -5.502 -7.404 1.00 0.00 C ATOM 1318 C ASP A 89 -7.432 -6.322 -6.543 1.00 0.00 C ATOM 1319 O ASP A 89 -7.780 -7.452 -6.886 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.094 -5.259 -8.782 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.099 -4.677 -9.767 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.646 -3.533 -9.548 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -5.772 -5.365 -10.757 1.00 0.00 O ATOM 0 H ASP A 89 -4.975 -6.493 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.309 -4.542 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.482 -6.199 -9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.942 -4.581 -8.683 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.852 -5.746 -5.421 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.768 -6.422 -4.510 1.00 0.00 C ATOM 1330 C LYS A 90 -9.818 -7.214 -5.282 1.00 0.00 C ATOM 1331 O LYS A 90 -10.072 -8.380 -4.983 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.451 -5.405 -3.593 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.234 -4.341 -4.343 1.00 0.00 C ATOM 1334 CD LYS A 90 -10.898 -3.362 -3.389 1.00 0.00 C ATOM 1335 CE LYS A 90 -11.631 -2.261 -4.141 1.00 0.00 C ATOM 1336 NZ LYS A 90 -12.564 -1.511 -3.256 1.00 0.00 N ATOM 0 H LYS A 90 -7.572 -4.812 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.189 -7.118 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.125 -5.932 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.695 -4.920 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.566 -3.801 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.993 -4.816 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.600 -3.896 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.145 -2.920 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.906 -1.571 -4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.188 -2.697 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.044 -0.770 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.272 -2.165 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.029 -1.074 -2.479 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.424 -6.572 -6.276 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.447 -7.218 -7.091 1.00 0.00 C ATOM 1352 C GLU A 91 -10.955 -8.565 -7.613 1.00 0.00 C ATOM 1353 O GLU A 91 -11.661 -9.571 -7.532 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.841 -6.317 -8.263 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.649 -5.099 -7.849 1.00 0.00 C ATOM 1356 CD GLU A 91 -13.535 -4.580 -8.965 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -13.006 -3.922 -9.885 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.757 -4.832 -8.918 1.00 0.00 O ATOM 0 H GLU A 91 -10.225 -5.606 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.322 -7.388 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.938 -5.986 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.419 -6.900 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.267 -5.353 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.970 -4.308 -7.532 1.00 0.00 H new