USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 554 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 86 THR OG1 : rot -84:sc= 0.0111 USER MOD Set 1.2: A 88 SER OG : rot 180:sc= -1.18! USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.929 F(o=-1.7,f=-0.93) USER MOD Single : A 15 SER OG : rot 42:sc= -6.26! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -2.11! USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 23 THR OG1 : rot 78:sc= 0.78 USER MOD Single : A 24 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.8) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 83:sc= -2.46! USER MOD Single : A 33 TYR OH : rot -30:sc= -0.848 USER MOD Single : A 35 THR OG1 : rot -163:sc= -1.69 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -45:sc= 1.15 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 48 THR OG1 : rot -131:sc= -1.65! USER MOD Single : A 49 THR OG1 : rot 8:sc= 0.585 USER MOD Single : A 50 SER OG : rot 110:sc= -0.741! USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.379 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0219 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 46:sc= 0.00555 USER MOD Single : A 58 SER OG : rot 180:sc= -2.01! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 77 SER OG : rot -127:sc= -2.6! USER MOD Single : A 81 LYS NZ :NH3+ -146:sc= -3.98! (180deg=-5.5!) USER MOD Single : A 83 SER OG : rot 54:sc= 0.0395 USER MOD Single : A 90 ASN : amide:sc= -2.46 X(o=-2.5,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 51.651 -2.831 -5.696 1.00 0.00 N ATOM 111 CA GLN A 10 50.522 -3.205 -4.791 1.00 0.00 C ATOM 112 C GLN A 10 50.425 -2.233 -3.607 1.00 0.00 C ATOM 113 O GLN A 10 49.513 -1.435 -3.521 1.00 0.00 O ATOM 114 CB GLN A 10 50.856 -4.613 -4.298 1.00 0.00 C ATOM 115 CG GLN A 10 49.583 -5.464 -4.273 1.00 0.00 C ATOM 116 CD GLN A 10 49.909 -6.862 -3.744 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.809 -6.999 -2.808 1.00 0.00 O flip ATOM 118 NE2 GLN A 10 49.339 -7.840 -4.184 1.00 0.00 N flip ATOM 0 HA GLN A 10 49.562 -3.165 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 10 51.599 -5.071 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.294 -4.566 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 10 48.830 -4.992 -3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 10 49.160 -5.533 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 10 48.636 -7.734 -4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 10 49.564 -8.767 -3.822 1.00 0.00 H new ATOM 127 N LEU A 11 51.349 -2.304 -2.686 1.00 0.00 N ATOM 128 CA LEU A 11 51.299 -1.393 -1.502 1.00 0.00 C ATOM 129 C LEU A 11 49.966 -1.564 -0.768 1.00 0.00 C ATOM 130 O LEU A 11 48.918 -1.208 -1.271 1.00 0.00 O ATOM 131 CB LEU A 11 51.420 0.024 -2.066 1.00 0.00 C ATOM 132 CG LEU A 11 51.311 1.032 -0.917 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.636 1.083 -0.153 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.996 2.421 -1.479 1.00 0.00 C ATOM 0 H LEU A 11 52.136 -2.952 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 11 52.094 -1.608 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 11 52.373 0.143 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 11 50.635 0.205 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 11 50.512 0.723 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.558 1.800 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.861 0.096 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.434 1.389 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 11 50.919 3.136 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.793 2.729 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.051 2.388 -2.022 1.00 0.00 H new ATOM 146 N SER A 12 49.998 -2.109 0.416 1.00 0.00 N ATOM 147 CA SER A 12 48.734 -2.307 1.184 1.00 0.00 C ATOM 148 C SER A 12 48.153 -0.957 1.613 1.00 0.00 C ATOM 149 O SER A 12 48.840 0.044 1.642 1.00 0.00 O ATOM 150 CB SER A 12 49.139 -3.130 2.405 1.00 0.00 C ATOM 151 OG SER A 12 48.083 -3.113 3.355 1.00 0.00 O ATOM 0 H SER A 12 50.845 -2.427 0.887 1.00 0.00 H new ATOM 0 HA SER A 12 47.966 -2.805 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 12 49.361 -4.155 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.048 -2.722 2.847 1.00 0.00 H new ATOM 0 HG SER A 12 48.340 -3.642 4.139 1.00 0.00 H new ATOM 157 N ALA A 13 46.892 -0.921 1.951 1.00 0.00 N ATOM 158 CA ALA A 13 46.274 0.365 2.381 1.00 0.00 C ATOM 159 C ALA A 13 46.864 0.809 3.723 1.00 0.00 C ATOM 160 O ALA A 13 46.610 1.899 4.195 1.00 0.00 O ATOM 161 CB ALA A 13 44.782 0.063 2.524 1.00 0.00 C ATOM 0 H ALA A 13 46.265 -1.725 1.948 1.00 0.00 H new ATOM 0 HA ALA A 13 46.458 1.170 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.257 0.965 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 13 44.385 -0.272 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 13 44.639 -0.719 3.269 1.00 0.00 H new ATOM 167 N ASN A 14 47.649 -0.032 4.343 1.00 0.00 N ATOM 168 CA ASN A 14 48.253 0.338 5.654 1.00 0.00 C ATOM 169 C ASN A 14 49.682 0.851 5.453 1.00 0.00 C ATOM 170 O ASN A 14 50.287 1.401 6.352 1.00 0.00 O ATOM 171 CB ASN A 14 48.256 -0.958 6.466 1.00 0.00 C ATOM 172 CG ASN A 14 49.065 -0.756 7.748 1.00 0.00 C ATOM 173 OD1 ASN A 14 49.965 -1.640 8.083 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 48.876 0.216 8.453 1.00 0.00 N flip ATOM 0 H ASN A 14 47.897 -0.959 3.997 1.00 0.00 H new ATOM 0 HA ASN A 14 47.700 1.132 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 14 47.234 -1.249 6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 14 48.685 -1.768 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 14 48.173 0.907 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 14 49.421 0.341 9.306 1.00 0.00 H new ATOM 181 N SER A 15 50.227 0.679 4.278 1.00 0.00 N ATOM 182 CA SER A 15 51.616 1.163 4.026 1.00 0.00 C ATOM 183 C SER A 15 51.617 2.684 3.843 1.00 0.00 C ATOM 184 O SER A 15 50.673 3.359 4.199 1.00 0.00 O ATOM 185 CB SER A 15 52.054 0.466 2.737 1.00 0.00 C ATOM 186 OG SER A 15 53.390 0.847 2.429 1.00 0.00 O ATOM 0 H SER A 15 49.773 0.226 3.485 1.00 0.00 H new ATOM 0 HA SER A 15 52.288 0.941 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.990 -0.616 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.388 0.738 1.918 1.00 0.00 H new ATOM 0 HG SER A 15 53.926 0.854 3.250 1.00 0.00 H new ATOM 192 N LYS A 16 52.669 3.226 3.293 1.00 0.00 N ATOM 193 CA LYS A 16 52.722 4.704 3.092 1.00 0.00 C ATOM 194 C LYS A 16 53.617 5.053 1.897 1.00 0.00 C ATOM 195 O LYS A 16 54.703 4.528 1.747 1.00 0.00 O ATOM 196 CB LYS A 16 53.316 5.256 4.388 1.00 0.00 C ATOM 197 CG LYS A 16 52.193 5.808 5.270 1.00 0.00 C ATOM 198 CD LYS A 16 52.694 7.040 6.026 1.00 0.00 C ATOM 199 CE LYS A 16 52.402 8.299 5.205 1.00 0.00 C ATOM 200 NZ LYS A 16 51.622 9.182 6.118 1.00 0.00 N ATOM 0 H LYS A 16 53.491 2.713 2.975 1.00 0.00 H new ATOM 0 HA LYS A 16 51.739 5.125 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.855 4.470 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.037 6.042 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 16 51.331 6.071 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.862 5.045 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 16 52.206 7.106 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 16 53.765 6.955 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 16 53.324 8.782 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.834 8.061 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 51.384 10.067 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 50.747 8.699 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.190 9.397 6.962 1.00 0.00 H new ATOM 214 N CYS A 17 53.171 5.940 1.048 1.00 0.00 N ATOM 215 CA CYS A 17 53.999 6.325 -0.134 1.00 0.00 C ATOM 216 C CYS A 17 53.986 7.845 -0.316 1.00 0.00 C ATOM 217 O CYS A 17 54.048 8.349 -1.420 1.00 0.00 O ATOM 218 CB CYS A 17 53.337 5.637 -1.329 1.00 0.00 C ATOM 219 SG CYS A 17 54.574 5.347 -2.620 1.00 0.00 S ATOM 0 H CYS A 17 52.271 6.414 1.121 1.00 0.00 H new ATOM 0 HA CYS A 17 55.041 6.026 -0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 17 52.892 4.692 -1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 17 52.529 6.257 -1.717 1.00 0.00 H new ATOM 0 HG CYS A 17 54.012 4.760 -3.635 1.00 0.00 H new ATOM 224 N GLU A 18 53.905 8.578 0.760 1.00 0.00 N ATOM 225 CA GLU A 18 53.889 10.067 0.652 1.00 0.00 C ATOM 226 C GLU A 18 55.123 10.549 -0.119 1.00 0.00 C ATOM 227 O GLU A 18 56.240 10.203 0.209 1.00 0.00 O ATOM 228 CB GLU A 18 53.928 10.564 2.097 1.00 0.00 C ATOM 229 CG GLU A 18 52.939 11.717 2.271 1.00 0.00 C ATOM 230 CD GLU A 18 53.675 13.048 2.106 1.00 0.00 C ATOM 231 OE1 GLU A 18 54.894 13.023 2.037 1.00 0.00 O ATOM 232 OE2 GLU A 18 53.010 14.067 2.051 1.00 0.00 O ATOM 0 H GLU A 18 53.849 8.212 1.710 1.00 0.00 H new ATOM 0 HA GLU A 18 53.015 10.439 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.677 9.751 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.935 10.894 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.139 11.638 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.474 11.666 3.255 1.00 0.00 H new ATOM 239 N LYS A 19 54.932 11.340 -1.141 1.00 0.00 N ATOM 240 CA LYS A 19 56.102 11.831 -1.929 1.00 0.00 C ATOM 241 C LYS A 19 57.087 10.682 -2.162 1.00 0.00 C ATOM 242 O LYS A 19 57.978 10.448 -1.370 1.00 0.00 O ATOM 243 CB LYS A 19 56.745 12.916 -1.062 1.00 0.00 C ATOM 244 CG LYS A 19 56.130 14.277 -1.398 1.00 0.00 C ATOM 245 CD LYS A 19 56.508 14.670 -2.828 1.00 0.00 C ATOM 246 CE LYS A 19 55.251 15.089 -3.594 1.00 0.00 C ATOM 247 NZ LYS A 19 55.598 16.400 -4.211 1.00 0.00 N ATOM 0 H LYS A 19 54.021 11.667 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 19 55.811 12.215 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.594 12.689 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.821 12.941 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.046 14.233 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.485 15.032 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 19 57.227 15.489 -2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 19 56.990 13.832 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 19 54.987 14.353 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 19 54.394 15.181 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 54.785 16.754 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 55.839 17.082 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 56.413 16.280 -4.846 1.00 0.00 H new ATOM 261 N SER A 20 56.932 9.955 -3.235 1.00 0.00 N ATOM 262 CA SER A 20 57.862 8.819 -3.496 1.00 0.00 C ATOM 263 C SER A 20 57.851 8.430 -4.976 1.00 0.00 C ATOM 264 O SER A 20 57.277 9.107 -5.806 1.00 0.00 O ATOM 265 CB SER A 20 57.322 7.673 -2.644 1.00 0.00 C ATOM 266 OG SER A 20 58.092 7.568 -1.453 1.00 0.00 O ATOM 0 H SER A 20 56.207 10.097 -3.938 1.00 0.00 H new ATOM 0 HA SER A 20 58.893 9.073 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.275 7.849 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 20 57.366 6.738 -3.202 1.00 0.00 H new ATOM 0 HG SER A 20 57.746 6.834 -0.903 1.00 0.00 H new ATOM 272 N THR A 21 58.484 7.336 -5.307 1.00 0.00 N ATOM 273 CA THR A 21 58.518 6.885 -6.728 1.00 0.00 C ATOM 274 C THR A 21 58.775 5.378 -6.785 1.00 0.00 C ATOM 275 O THR A 21 59.850 4.934 -7.137 1.00 0.00 O ATOM 276 CB THR A 21 59.681 7.650 -7.362 1.00 0.00 C ATOM 277 OG1 THR A 21 59.606 9.019 -6.982 1.00 0.00 O ATOM 278 CG2 THR A 21 59.605 7.526 -8.885 1.00 0.00 C ATOM 0 H THR A 21 58.981 6.733 -4.651 1.00 0.00 H new ATOM 0 HA THR A 21 57.579 7.074 -7.248 1.00 0.00 H new ATOM 0 HB THR A 21 60.627 7.232 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.351 9.512 -7.386 1.00 0.00 H new ATOM 0 HG21 THR A 21 60.434 8.071 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 21 59.665 6.475 -9.168 1.00 0.00 H new ATOM 0 HG23 THR A 21 58.662 7.943 -9.237 1.00 0.00 H new ATOM 286 N LEU A 22 57.800 4.586 -6.432 1.00 0.00 N ATOM 287 CA LEU A 22 57.996 3.109 -6.456 1.00 0.00 C ATOM 288 C LEU A 22 57.959 2.588 -7.901 1.00 0.00 C ATOM 289 O LEU A 22 58.796 2.951 -8.701 1.00 0.00 O ATOM 290 CB LEU A 22 56.842 2.537 -5.625 1.00 0.00 C ATOM 291 CG LEU A 22 56.831 3.143 -4.212 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.240 2.127 -3.234 1.00 0.00 C ATOM 293 CD2 LEU A 22 58.255 3.493 -3.764 1.00 0.00 C ATOM 0 H LEU A 22 56.877 4.897 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 22 58.963 2.812 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 22 55.894 2.744 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 56.938 1.453 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 22 56.230 4.052 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 22 56.230 2.552 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 22 55.221 1.882 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 22 56.847 1.222 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 22 58.226 3.921 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 22 58.866 2.590 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 58.686 4.217 -4.455 1.00 0.00 H new ATOM 305 N THR A 23 56.986 1.749 -8.231 1.00 0.00 N ATOM 306 CA THR A 23 56.851 1.172 -9.618 1.00 0.00 C ATOM 307 C THR A 23 56.292 -0.252 -9.505 1.00 0.00 C ATOM 308 O THR A 23 55.219 -0.552 -9.987 1.00 0.00 O ATOM 309 CB THR A 23 58.260 1.144 -10.247 1.00 0.00 C ATOM 310 OG1 THR A 23 58.496 2.375 -10.916 1.00 0.00 O ATOM 311 CG2 THR A 23 58.378 -0.003 -11.256 1.00 0.00 C ATOM 0 H THR A 23 56.266 1.436 -7.579 1.00 0.00 H new ATOM 0 HA THR A 23 56.178 1.767 -10.236 1.00 0.00 H new ATOM 0 HB THR A 23 58.994 0.995 -9.456 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.721 3.067 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 23 59.379 -0.006 -11.688 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.198 -0.952 -10.751 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.641 0.132 -12.048 1.00 0.00 H new ATOM 319 N ASN A 24 57.022 -1.129 -8.866 1.00 0.00 N ATOM 320 CA ASN A 24 56.550 -2.536 -8.712 1.00 0.00 C ATOM 321 C ASN A 24 56.700 -2.987 -7.255 1.00 0.00 C ATOM 322 O ASN A 24 56.996 -4.133 -6.979 1.00 0.00 O ATOM 323 CB ASN A 24 57.465 -3.363 -9.619 1.00 0.00 C ATOM 324 CG ASN A 24 57.055 -3.173 -11.082 1.00 0.00 C ATOM 325 OD1 ASN A 24 55.884 -3.212 -11.405 1.00 0.00 O ATOM 326 ND2 ASN A 24 57.975 -2.969 -11.985 1.00 0.00 N ATOM 0 H ASN A 24 57.928 -0.930 -8.443 1.00 0.00 H new ATOM 0 HA ASN A 24 55.499 -2.649 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.502 -3.058 -9.480 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.404 -4.417 -9.349 1.00 0.00 H new ATOM 0 HD21 ASN A 24 57.711 -2.842 -12.962 1.00 0.00 H new ATOM 0 HD22 ASN A 24 58.958 -2.936 -11.714 1.00 0.00 H new ATOM 333 N CYS A 25 56.503 -2.095 -6.322 1.00 0.00 N ATOM 334 CA CYS A 25 56.644 -2.476 -4.886 1.00 0.00 C ATOM 335 C CYS A 25 55.534 -3.446 -4.466 1.00 0.00 C ATOM 336 O CYS A 25 54.900 -4.090 -5.278 1.00 0.00 O ATOM 337 CB CYS A 25 56.516 -1.162 -4.102 1.00 0.00 C ATOM 338 SG CYS A 25 57.629 -1.200 -2.672 1.00 0.00 S ATOM 0 H CYS A 25 56.251 -1.121 -6.491 1.00 0.00 H new ATOM 0 HA CYS A 25 57.593 -2.979 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.762 -0.317 -4.745 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.487 -1.022 -3.772 1.00 0.00 H new ATOM 343 N TYR A 26 55.298 -3.529 -3.189 1.00 0.00 N ATOM 344 CA TYR A 26 54.237 -4.417 -2.642 1.00 0.00 C ATOM 345 C TYR A 26 53.970 -3.941 -1.225 1.00 0.00 C ATOM 346 O TYR A 26 52.866 -3.588 -0.859 1.00 0.00 O ATOM 347 CB TYR A 26 54.827 -5.829 -2.634 1.00 0.00 C ATOM 348 CG TYR A 26 54.864 -6.379 -4.040 1.00 0.00 C ATOM 349 CD1 TYR A 26 53.670 -6.624 -4.730 1.00 0.00 C ATOM 350 CD2 TYR A 26 56.094 -6.649 -4.651 1.00 0.00 C ATOM 351 CE1 TYR A 26 53.707 -7.136 -6.034 1.00 0.00 C ATOM 352 CE2 TYR A 26 56.131 -7.162 -5.954 1.00 0.00 C ATOM 353 CZ TYR A 26 54.939 -7.405 -6.645 1.00 0.00 C ATOM 354 OH TYR A 26 54.977 -7.912 -7.929 1.00 0.00 O ATOM 0 H TYR A 26 55.811 -3.003 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 26 53.310 -4.405 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 26 55.833 -5.810 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 26 54.229 -6.479 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.721 -6.418 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 26 57.014 -6.462 -4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 26 52.787 -7.323 -6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 26 57.080 -7.370 -6.425 1.00 0.00 H new ATOM 0 HH TYR A 26 55.909 -8.040 -8.203 1.00 0.00 H new ATOM 364 N VAL A 27 55.012 -3.882 -0.449 1.00 0.00 N ATOM 365 CA VAL A 27 54.907 -3.381 0.944 1.00 0.00 C ATOM 366 C VAL A 27 53.688 -3.964 1.666 1.00 0.00 C ATOM 367 O VAL A 27 52.939 -4.758 1.132 1.00 0.00 O ATOM 368 CB VAL A 27 54.780 -1.859 0.786 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.088 -1.176 2.119 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.777 -1.364 -0.271 1.00 0.00 C ATOM 0 H VAL A 27 55.951 -4.166 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 27 55.765 -3.671 1.550 1.00 0.00 H new ATOM 0 HB VAL A 27 53.764 -1.617 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 27 54.997 -0.096 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.383 -1.521 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.103 -1.424 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.684 -0.284 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.791 -1.611 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.564 -1.845 -1.226 1.00 0.00 H new ATOM 380 N ASP A 28 53.504 -3.564 2.889 1.00 0.00 N ATOM 381 CA ASP A 28 52.356 -4.060 3.702 1.00 0.00 C ATOM 382 C ASP A 28 52.351 -3.333 5.049 1.00 0.00 C ATOM 383 O ASP A 28 51.313 -3.056 5.619 1.00 0.00 O ATOM 384 CB ASP A 28 52.616 -5.555 3.899 1.00 0.00 C ATOM 385 CG ASP A 28 51.333 -6.339 3.616 1.00 0.00 C ATOM 386 OD1 ASP A 28 50.374 -5.728 3.177 1.00 0.00 O ATOM 387 OD2 ASP A 28 51.332 -7.538 3.842 1.00 0.00 O ATOM 0 H ASP A 28 54.111 -2.901 3.372 1.00 0.00 H new ATOM 0 HA ASP A 28 51.392 -3.885 3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.412 -5.887 3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 28 52.953 -5.745 4.918 1.00 0.00 H new ATOM 392 N LYS A 29 53.514 -3.020 5.551 1.00 0.00 N ATOM 393 CA LYS A 29 53.617 -2.305 6.852 1.00 0.00 C ATOM 394 C LYS A 29 54.888 -1.448 6.852 1.00 0.00 C ATOM 395 O LYS A 29 55.743 -1.597 7.701 1.00 0.00 O ATOM 396 CB LYS A 29 53.725 -3.416 7.900 1.00 0.00 C ATOM 397 CG LYS A 29 52.346 -4.032 8.143 1.00 0.00 C ATOM 398 CD LYS A 29 52.430 -5.035 9.295 1.00 0.00 C ATOM 399 CE LYS A 29 52.865 -6.399 8.756 1.00 0.00 C ATOM 400 NZ LYS A 29 52.775 -7.319 9.923 1.00 0.00 N ATOM 0 H LYS A 29 54.408 -3.233 5.108 1.00 0.00 H new ATOM 0 HA LYS A 29 52.771 -1.646 7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.422 -4.183 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.123 -3.013 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 51.624 -3.251 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 29 51.994 -4.529 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.140 -4.685 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 51.462 -5.119 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 29 52.217 -6.727 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.880 -6.362 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 53.058 -8.277 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.407 -6.985 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 51.796 -7.339 10.275 1.00 0.00 H new ATOM 414 N SER A 30 55.037 -0.570 5.894 1.00 0.00 N ATOM 415 CA SER A 30 56.278 0.257 5.846 1.00 0.00 C ATOM 416 C SER A 30 55.971 1.730 5.560 1.00 0.00 C ATOM 417 O SER A 30 54.903 2.085 5.104 1.00 0.00 O ATOM 418 CB SER A 30 57.092 -0.338 4.698 1.00 0.00 C ATOM 419 OG SER A 30 57.480 -1.664 5.035 1.00 0.00 O ATOM 0 H SER A 30 54.361 -0.391 5.151 1.00 0.00 H new ATOM 0 HA SER A 30 56.804 0.238 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.502 -0.341 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.974 0.274 4.507 1.00 0.00 H new ATOM 0 HG SER A 30 56.746 -2.281 4.834 1.00 0.00 H new ATOM 425 N GLU A 31 56.930 2.580 5.812 1.00 0.00 N ATOM 426 CA GLU A 31 56.753 4.037 5.547 1.00 0.00 C ATOM 427 C GLU A 31 57.823 4.479 4.551 1.00 0.00 C ATOM 428 O GLU A 31 58.993 4.545 4.876 1.00 0.00 O ATOM 429 CB GLU A 31 56.956 4.721 6.899 1.00 0.00 C ATOM 430 CG GLU A 31 55.803 5.695 7.157 1.00 0.00 C ATOM 431 CD GLU A 31 56.101 6.523 8.409 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.139 7.163 8.439 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.284 6.505 9.316 1.00 0.00 O ATOM 0 H GLU A 31 57.840 2.323 6.195 1.00 0.00 H new ATOM 0 HA GLU A 31 55.778 4.283 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.001 3.975 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.906 5.255 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.669 6.352 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 31 54.871 5.145 7.286 1.00 0.00 H new ATOM 440 N VAL A 32 57.448 4.747 3.333 1.00 0.00 N ATOM 441 CA VAL A 32 58.462 5.144 2.314 1.00 0.00 C ATOM 442 C VAL A 32 58.317 6.620 1.927 1.00 0.00 C ATOM 443 O VAL A 32 57.287 7.230 2.134 1.00 0.00 O ATOM 444 CB VAL A 32 58.166 4.235 1.124 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.278 4.366 0.083 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.085 2.783 1.610 1.00 0.00 C ATOM 0 H VAL A 32 56.486 4.709 2.997 1.00 0.00 H new ATOM 0 HA VAL A 32 59.483 5.037 2.682 1.00 0.00 H new ATOM 0 HB VAL A 32 57.218 4.525 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.062 3.715 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.336 5.399 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.230 4.077 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.874 2.128 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.035 2.497 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.289 2.690 2.349 1.00 0.00 H new ATOM 456 N TYR A 33 59.352 7.197 1.370 1.00 0.00 N ATOM 457 CA TYR A 33 59.289 8.634 0.970 1.00 0.00 C ATOM 458 C TYR A 33 60.326 8.933 -0.119 1.00 0.00 C ATOM 459 O TYR A 33 61.020 9.930 -0.067 1.00 0.00 O ATOM 460 CB TYR A 33 59.622 9.410 2.243 1.00 0.00 C ATOM 461 CG TYR A 33 58.527 9.206 3.261 1.00 0.00 C ATOM 462 CD1 TYR A 33 57.346 9.954 3.177 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.692 8.271 4.290 1.00 0.00 C ATOM 464 CE1 TYR A 33 56.331 9.768 4.122 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.676 8.084 5.235 1.00 0.00 C ATOM 466 CZ TYR A 33 56.496 8.832 5.151 1.00 0.00 C ATOM 467 OH TYR A 33 55.496 8.648 6.083 1.00 0.00 O ATOM 0 H TYR A 33 60.239 6.733 1.175 1.00 0.00 H new ATOM 0 HA TYR A 33 58.314 8.904 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.576 9.072 2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 33 59.729 10.471 2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 33 57.219 10.675 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 33 59.603 7.694 4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 33 55.421 10.346 4.058 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.803 7.363 6.029 1.00 0.00 H new ATOM 0 HH TYR A 33 55.004 9.487 6.205 1.00 0.00 H new ATOM 477 N GLY A 34 60.435 8.085 -1.105 1.00 0.00 N ATOM 478 CA GLY A 34 61.425 8.336 -2.193 1.00 0.00 C ATOM 479 C GLY A 34 62.126 7.029 -2.581 1.00 0.00 C ATOM 480 O GLY A 34 63.282 7.024 -2.954 1.00 0.00 O ATOM 0 H GLY A 34 59.884 7.232 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.922 8.759 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.162 9.068 -1.863 1.00 0.00 H new ATOM 484 N THR A 35 61.437 5.922 -2.505 1.00 0.00 N ATOM 485 CA THR A 35 62.073 4.625 -2.879 1.00 0.00 C ATOM 486 C THR A 35 61.754 4.279 -4.334 1.00 0.00 C ATOM 487 O THR A 35 60.673 4.540 -4.822 1.00 0.00 O ATOM 488 CB THR A 35 61.452 3.591 -1.940 1.00 0.00 C ATOM 489 OG1 THR A 35 62.009 3.735 -0.642 1.00 0.00 O ATOM 490 CG2 THR A 35 61.735 2.183 -2.465 1.00 0.00 C ATOM 0 H THR A 35 60.465 5.859 -2.201 1.00 0.00 H new ATOM 0 HA THR A 35 63.159 4.660 -2.789 1.00 0.00 H new ATOM 0 HB THR A 35 60.374 3.748 -1.892 1.00 0.00 H new ATOM 0 HG1 THR A 35 61.827 2.928 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.291 1.448 -1.793 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.304 2.072 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 35 62.812 2.023 -2.516 1.00 0.00 H new ATOM 498 N THR A 36 62.683 3.686 -5.025 1.00 0.00 N ATOM 499 CA THR A 36 62.434 3.310 -6.445 1.00 0.00 C ATOM 500 C THR A 36 61.956 1.856 -6.509 1.00 0.00 C ATOM 501 O THR A 36 62.517 1.040 -7.212 1.00 0.00 O ATOM 502 CB THR A 36 63.790 3.470 -7.135 1.00 0.00 C ATOM 503 OG1 THR A 36 64.141 4.847 -7.168 1.00 0.00 O ATOM 504 CG2 THR A 36 63.713 2.934 -8.566 1.00 0.00 C ATOM 0 H THR A 36 63.607 3.444 -4.668 1.00 0.00 H new ATOM 0 HA THR A 36 61.668 3.922 -6.921 1.00 0.00 H new ATOM 0 HB THR A 36 64.543 2.909 -6.581 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.010 4.953 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.682 3.051 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.443 1.878 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.959 3.490 -9.123 1.00 0.00 H new ATOM 512 N CYS A 37 60.932 1.526 -5.765 1.00 0.00 N ATOM 513 CA CYS A 37 60.424 0.120 -5.764 1.00 0.00 C ATOM 514 C CYS A 37 60.202 -0.381 -7.193 1.00 0.00 C ATOM 515 O CYS A 37 59.118 -0.288 -7.732 1.00 0.00 O ATOM 516 CB CYS A 37 59.093 0.163 -5.004 1.00 0.00 C ATOM 517 SG CYS A 37 59.367 -0.359 -3.289 1.00 0.00 S ATOM 0 H CYS A 37 60.425 2.169 -5.157 1.00 0.00 H new ATOM 0 HA CYS A 37 61.138 -0.560 -5.299 1.00 0.00 H new ATOM 0 HB2 CYS A 37 58.679 1.171 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.365 -0.491 -5.484 1.00 0.00 H new ATOM 522 N THR A 38 61.217 -0.926 -7.803 1.00 0.00 N ATOM 523 CA THR A 38 61.058 -1.450 -9.188 1.00 0.00 C ATOM 524 C THR A 38 60.996 -2.979 -9.150 1.00 0.00 C ATOM 525 O THR A 38 61.497 -3.657 -10.026 1.00 0.00 O ATOM 526 CB THR A 38 62.304 -0.977 -9.941 1.00 0.00 C ATOM 527 OG1 THR A 38 62.286 -1.506 -11.260 1.00 0.00 O ATOM 528 CG2 THR A 38 63.560 -1.460 -9.214 1.00 0.00 C ATOM 0 H THR A 38 62.149 -1.031 -7.403 1.00 0.00 H new ATOM 0 HA THR A 38 60.145 -1.099 -9.668 1.00 0.00 H new ATOM 0 HB THR A 38 62.310 0.112 -9.984 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.045 -2.455 -11.228 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.445 -1.122 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A 38 63.574 -1.054 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.558 -2.549 -9.168 1.00 0.00 H new ATOM 536 N GLY A 39 60.384 -3.526 -8.133 1.00 0.00 N ATOM 537 CA GLY A 39 60.285 -5.007 -8.020 1.00 0.00 C ATOM 538 C GLY A 39 60.778 -5.449 -6.638 1.00 0.00 C ATOM 539 O GLY A 39 61.549 -6.378 -6.510 1.00 0.00 O ATOM 0 H GLY A 39 59.947 -3.006 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.253 -5.325 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.881 -5.482 -8.799 1.00 0.00 H new ATOM 543 N SER A 40 60.335 -4.786 -5.602 1.00 0.00 N ATOM 544 CA SER A 40 60.771 -5.165 -4.223 1.00 0.00 C ATOM 545 C SER A 40 59.592 -5.039 -3.251 1.00 0.00 C ATOM 546 O SER A 40 58.570 -4.469 -3.578 1.00 0.00 O ATOM 547 CB SER A 40 61.876 -4.167 -3.863 1.00 0.00 C ATOM 548 OG SER A 40 62.266 -3.449 -5.027 1.00 0.00 O ATOM 0 H SER A 40 59.690 -3.998 -5.650 1.00 0.00 H new ATOM 0 HA SER A 40 61.125 -6.194 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.521 -3.476 -3.099 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.733 -4.693 -3.444 1.00 0.00 H new ATOM 0 HG SER A 40 62.972 -2.810 -4.796 1.00 0.00 H new ATOM 554 N ARG A 41 59.716 -5.569 -2.061 1.00 0.00 N ATOM 555 CA ARG A 41 58.585 -5.473 -1.088 1.00 0.00 C ATOM 556 C ARG A 41 59.110 -5.347 0.346 1.00 0.00 C ATOM 557 O ARG A 41 60.182 -5.818 0.671 1.00 0.00 O ATOM 558 CB ARG A 41 57.807 -6.778 -1.260 1.00 0.00 C ATOM 559 CG ARG A 41 58.658 -7.952 -0.768 1.00 0.00 C ATOM 560 CD ARG A 41 57.872 -9.257 -0.919 1.00 0.00 C ATOM 561 NE ARG A 41 58.800 -10.183 -1.627 1.00 0.00 N ATOM 562 CZ ARG A 41 58.701 -11.472 -1.444 1.00 0.00 C ATOM 563 NH1 ARG A 41 57.551 -12.067 -1.600 1.00 0.00 N ATOM 564 NH2 ARG A 41 59.755 -12.168 -1.109 1.00 0.00 N ATOM 0 H ARG A 41 60.543 -6.060 -1.723 1.00 0.00 H new ATOM 0 HA ARG A 41 57.965 -4.595 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.873 -6.733 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.544 -6.921 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 41 59.585 -8.006 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 41 58.935 -7.801 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 41 57.579 -9.657 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.956 -9.103 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 41 59.512 -9.810 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.728 -11.525 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.474 -13.074 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 41 60.656 -11.704 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 41 59.677 -13.175 -0.966 1.00 0.00 H new ATOM 578 N PHE A 42 58.355 -4.718 1.209 1.00 0.00 N ATOM 579 CA PHE A 42 58.803 -4.565 2.625 1.00 0.00 C ATOM 580 C PHE A 42 57.842 -5.298 3.563 1.00 0.00 C ATOM 581 O PHE A 42 57.007 -6.071 3.134 1.00 0.00 O ATOM 582 CB PHE A 42 58.760 -3.063 2.912 1.00 0.00 C ATOM 583 CG PHE A 42 59.373 -2.296 1.767 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.567 -2.734 1.185 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.745 -1.138 1.294 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.135 -2.013 0.127 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.314 -0.416 0.239 1.00 0.00 C ATOM 588 CZ PHE A 42 60.507 -0.854 -0.344 1.00 0.00 C ATOM 0 H PHE A 42 57.448 -4.304 0.994 1.00 0.00 H new ATOM 0 HA PHE A 42 59.798 -4.982 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.729 -2.744 3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.299 -2.846 3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 42 61.051 -3.628 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.822 -0.802 1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 42 62.056 -2.351 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.832 0.479 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.945 -0.297 -1.159 1.00 0.00 H new ATOM 598 N ASP A 43 57.952 -5.056 4.840 1.00 0.00 N ATOM 599 CA ASP A 43 57.043 -5.730 5.810 1.00 0.00 C ATOM 600 C ASP A 43 57.327 -5.237 7.228 1.00 0.00 C ATOM 601 O ASP A 43 57.558 -6.013 8.134 1.00 0.00 O ATOM 602 CB ASP A 43 57.358 -7.220 5.680 1.00 0.00 C ATOM 603 CG ASP A 43 56.120 -8.039 6.052 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.036 -7.658 5.642 1.00 0.00 O ATOM 605 OD2 ASP A 43 56.277 -9.034 6.741 1.00 0.00 O ATOM 0 H ASP A 43 58.633 -4.420 5.254 1.00 0.00 H new ATOM 0 HA ASP A 43 55.993 -5.520 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.666 -7.450 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.191 -7.484 6.331 1.00 0.00 H new ATOM 610 N GLY A 44 57.307 -3.948 7.429 1.00 0.00 N ATOM 611 CA GLY A 44 57.571 -3.406 8.787 1.00 0.00 C ATOM 612 C GLY A 44 58.867 -2.591 8.777 1.00 0.00 C ATOM 613 O GLY A 44 59.807 -2.899 9.480 1.00 0.00 O ATOM 0 H GLY A 44 57.119 -3.249 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.739 -2.779 9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.649 -4.222 9.505 1.00 0.00 H new ATOM 617 N VAL A 45 58.930 -1.553 7.986 1.00 0.00 N ATOM 618 CA VAL A 45 60.177 -0.730 7.945 1.00 0.00 C ATOM 619 C VAL A 45 59.828 0.761 7.875 1.00 0.00 C ATOM 620 O VAL A 45 58.690 1.152 8.039 1.00 0.00 O ATOM 621 CB VAL A 45 60.933 -1.179 6.683 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.768 -2.687 6.485 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.383 -0.447 5.456 1.00 0.00 C ATOM 0 H VAL A 45 58.179 -1.240 7.371 1.00 0.00 H new ATOM 0 HA VAL A 45 60.785 -0.869 8.839 1.00 0.00 H new ATOM 0 HB VAL A 45 61.990 -0.941 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.306 -2.997 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.170 -3.214 7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.710 -2.926 6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.924 -0.771 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.324 -0.676 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.509 0.628 5.586 1.00 0.00 H new ATOM 633 N THR A 46 60.803 1.594 7.632 1.00 0.00 N ATOM 634 CA THR A 46 60.533 3.058 7.551 1.00 0.00 C ATOM 635 C THR A 46 61.514 3.722 6.576 1.00 0.00 C ATOM 636 O THR A 46 62.156 4.702 6.899 1.00 0.00 O ATOM 637 CB THR A 46 60.756 3.576 8.973 1.00 0.00 C ATOM 638 OG1 THR A 46 59.961 2.821 9.879 1.00 0.00 O ATOM 639 CG2 THR A 46 60.361 5.052 9.053 1.00 0.00 C ATOM 0 H THR A 46 61.776 1.324 7.486 1.00 0.00 H new ATOM 0 HA THR A 46 59.529 3.277 7.189 1.00 0.00 H new ATOM 0 HB THR A 46 61.809 3.472 9.236 1.00 0.00 H new ATOM 0 HG1 THR A 46 60.103 3.150 10.791 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.521 5.417 10.067 1.00 0.00 H new ATOM 0 HG22 THR A 46 60.971 5.630 8.359 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.309 5.162 8.790 1.00 0.00 H new ATOM 647 N ILE A 47 61.635 3.193 5.388 1.00 0.00 N ATOM 648 CA ILE A 47 62.577 3.790 4.394 1.00 0.00 C ATOM 649 C ILE A 47 62.077 5.166 3.942 1.00 0.00 C ATOM 650 O ILE A 47 60.993 5.588 4.289 1.00 0.00 O ATOM 651 CB ILE A 47 62.586 2.811 3.220 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.592 3.284 2.167 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.192 2.745 2.594 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.109 2.080 1.378 1.00 0.00 C ATOM 0 H ILE A 47 61.123 2.373 5.062 1.00 0.00 H new ATOM 0 HA ILE A 47 63.573 3.939 4.811 1.00 0.00 H new ATOM 0 HB ILE A 47 62.870 1.822 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.120 3.998 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.422 3.801 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.202 2.046 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.473 2.407 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 47 60.906 3.734 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.825 2.417 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.597 1.382 2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.274 1.583 0.885 1.00 0.00 H new ATOM 666 N THR A 48 62.863 5.868 3.169 1.00 0.00 N ATOM 667 CA THR A 48 62.436 7.217 2.695 1.00 0.00 C ATOM 668 C THR A 48 62.906 7.441 1.250 1.00 0.00 C ATOM 669 O THR A 48 62.288 6.982 0.310 1.00 0.00 O ATOM 670 CB THR A 48 63.115 8.203 3.648 1.00 0.00 C ATOM 671 OG1 THR A 48 64.471 7.823 3.837 1.00 0.00 O ATOM 672 CG2 THR A 48 62.390 8.198 4.994 1.00 0.00 C ATOM 0 H THR A 48 63.782 5.566 2.846 1.00 0.00 H new ATOM 0 HA THR A 48 61.353 7.336 2.695 1.00 0.00 H new ATOM 0 HB THR A 48 63.075 9.205 3.220 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.677 7.813 4.795 1.00 0.00 H new ATOM 0 HG21 THR A 48 62.875 8.901 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.351 8.493 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.426 7.197 5.423 1.00 0.00 H new ATOM 680 N THR A 49 63.998 8.136 1.063 1.00 0.00 N ATOM 681 CA THR A 49 64.503 8.376 -0.321 1.00 0.00 C ATOM 682 C THR A 49 65.703 7.471 -0.596 1.00 0.00 C ATOM 683 O THR A 49 66.824 7.927 -0.690 1.00 0.00 O ATOM 684 CB THR A 49 64.936 9.842 -0.341 1.00 0.00 C ATOM 685 OG1 THR A 49 63.786 10.678 -0.326 1.00 0.00 O ATOM 686 CG2 THR A 49 65.751 10.113 -1.606 1.00 0.00 C ATOM 0 H THR A 49 64.561 8.547 1.808 1.00 0.00 H new ATOM 0 HA THR A 49 63.749 8.163 -1.079 1.00 0.00 H new ATOM 0 HB THR A 49 65.547 10.054 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 49 62.986 10.132 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.061 11.158 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.633 9.473 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.141 9.902 -2.484 1.00 0.00 H new ATOM 694 N SER A 50 65.484 6.191 -0.715 1.00 0.00 N ATOM 695 CA SER A 50 66.630 5.273 -0.965 1.00 0.00 C ATOM 696 C SER A 50 66.441 4.497 -2.267 1.00 0.00 C ATOM 697 O SER A 50 65.341 4.154 -2.649 1.00 0.00 O ATOM 698 CB SER A 50 66.623 4.310 0.220 1.00 0.00 C ATOM 699 OG SER A 50 67.197 4.953 1.351 1.00 0.00 O ATOM 0 H SER A 50 64.569 5.744 -0.651 1.00 0.00 H new ATOM 0 HA SER A 50 67.568 5.819 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.603 3.998 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.186 3.409 -0.025 1.00 0.00 H new ATOM 0 HG SER A 50 66.499 5.133 2.015 1.00 0.00 H new ATOM 705 N THR A 51 67.518 4.200 -2.940 1.00 0.00 N ATOM 706 CA THR A 51 67.416 3.424 -4.208 1.00 0.00 C ATOM 707 C THR A 51 67.746 1.957 -3.927 1.00 0.00 C ATOM 708 O THR A 51 68.812 1.635 -3.443 1.00 0.00 O ATOM 709 CB THR A 51 68.459 4.035 -5.142 1.00 0.00 C ATOM 710 OG1 THR A 51 68.957 5.241 -4.579 1.00 0.00 O ATOM 711 CG2 THR A 51 67.821 4.331 -6.500 1.00 0.00 C ATOM 0 H THR A 51 68.465 4.461 -2.667 1.00 0.00 H new ATOM 0 HA THR A 51 66.418 3.463 -4.645 1.00 0.00 H new ATOM 0 HB THR A 51 69.281 3.331 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.367 5.786 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.567 4.767 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.444 3.405 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 51 66.997 5.032 -6.370 1.00 0.00 H new ATOM 719 N SER A 52 66.838 1.071 -4.214 1.00 0.00 N ATOM 720 CA SER A 52 67.097 -0.375 -3.948 1.00 0.00 C ATOM 721 C SER A 52 66.554 -1.234 -5.093 1.00 0.00 C ATOM 722 O SER A 52 65.461 -1.019 -5.579 1.00 0.00 O ATOM 723 CB SER A 52 66.349 -0.680 -2.647 1.00 0.00 C ATOM 724 OG SER A 52 65.988 0.541 -2.011 1.00 0.00 O ATOM 0 H SER A 52 65.927 1.282 -4.621 1.00 0.00 H new ATOM 0 HA SER A 52 68.162 -0.593 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.457 -1.271 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.977 -1.276 -1.985 1.00 0.00 H new ATOM 0 HG SER A 52 65.508 0.347 -1.179 1.00 0.00 H new ATOM 730 N THR A 53 67.307 -2.210 -5.526 1.00 0.00 N ATOM 731 CA THR A 53 66.829 -3.083 -6.636 1.00 0.00 C ATOM 732 C THR A 53 66.792 -4.540 -6.171 1.00 0.00 C ATOM 733 O THR A 53 67.754 -5.269 -6.306 1.00 0.00 O ATOM 734 CB THR A 53 67.854 -2.897 -7.754 1.00 0.00 C ATOM 735 OG1 THR A 53 68.201 -1.522 -7.853 1.00 0.00 O ATOM 736 CG2 THR A 53 67.261 -3.374 -9.082 1.00 0.00 C ATOM 0 H THR A 53 68.231 -2.440 -5.159 1.00 0.00 H new ATOM 0 HA THR A 53 65.822 -2.828 -6.966 1.00 0.00 H new ATOM 0 HB THR A 53 68.746 -3.482 -7.529 1.00 0.00 H new ATOM 0 HG1 THR A 53 68.860 -1.402 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 53 67.995 -3.240 -9.877 1.00 0.00 H new ATOM 0 HG22 THR A 53 66.998 -4.429 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 53 66.368 -2.793 -9.311 1.00 0.00 H new ATOM 744 N GLY A 54 65.692 -4.967 -5.617 1.00 0.00 N ATOM 745 CA GLY A 54 65.601 -6.374 -5.134 1.00 0.00 C ATOM 746 C GLY A 54 66.177 -6.448 -3.722 1.00 0.00 C ATOM 747 O GLY A 54 67.287 -6.896 -3.515 1.00 0.00 O ATOM 0 H GLY A 54 64.853 -4.404 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.563 -6.707 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.151 -7.038 -5.801 1.00 0.00 H new ATOM 751 N SER A 55 65.436 -5.995 -2.749 1.00 0.00 N ATOM 752 CA SER A 55 65.943 -6.020 -1.349 1.00 0.00 C ATOM 753 C SER A 55 64.788 -6.197 -0.363 1.00 0.00 C ATOM 754 O SER A 55 63.845 -5.431 -0.351 1.00 0.00 O ATOM 755 CB SER A 55 66.597 -4.655 -1.158 1.00 0.00 C ATOM 756 OG SER A 55 65.851 -3.674 -1.870 1.00 0.00 O ATOM 0 H SER A 55 64.499 -5.608 -2.864 1.00 0.00 H new ATOM 0 HA SER A 55 66.634 -6.844 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.635 -4.402 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.626 -4.678 -1.517 1.00 0.00 H new ATOM 0 HG SER A 55 64.896 -3.794 -1.688 1.00 0.00 H new ATOM 762 N ARG A 56 64.858 -7.196 0.471 1.00 0.00 N ATOM 763 CA ARG A 56 63.768 -7.411 1.461 1.00 0.00 C ATOM 764 C ARG A 56 64.083 -6.657 2.754 1.00 0.00 C ATOM 765 O ARG A 56 64.803 -7.139 3.606 1.00 0.00 O ATOM 766 CB ARG A 56 63.746 -8.920 1.710 1.00 0.00 C ATOM 767 CG ARG A 56 62.300 -9.423 1.679 1.00 0.00 C ATOM 768 CD ARG A 56 61.980 -10.140 2.993 1.00 0.00 C ATOM 769 NE ARG A 56 62.293 -11.572 2.736 1.00 0.00 N ATOM 770 CZ ARG A 56 61.387 -12.486 2.945 1.00 0.00 C ATOM 771 NH1 ARG A 56 60.457 -12.291 3.840 1.00 0.00 N ATOM 772 NH2 ARG A 56 61.413 -13.597 2.262 1.00 0.00 N ATOM 0 H ARG A 56 65.621 -7.871 0.510 1.00 0.00 H new ATOM 0 HA ARG A 56 62.805 -7.047 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 56 64.337 -9.433 0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.200 -9.147 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.616 -8.587 1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 56 62.158 -10.102 0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 56 62.579 -9.746 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 56 60.934 -10.008 3.270 1.00 0.00 H new ATOM 0 HE ARG A 56 63.217 -11.839 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 56 60.439 -11.423 4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 56 59.748 -13.006 4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 56 62.142 -13.750 1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 56 60.705 -14.313 2.425 1.00 0.00 H new ATOM 786 N ILE A 57 63.541 -5.478 2.912 1.00 0.00 N ATOM 787 CA ILE A 57 63.803 -4.698 4.154 1.00 0.00 C ATOM 788 C ILE A 57 62.835 -5.146 5.260 1.00 0.00 C ATOM 789 O ILE A 57 62.647 -4.472 6.253 1.00 0.00 O ATOM 790 CB ILE A 57 63.567 -3.235 3.755 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.469 -2.883 2.569 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.907 -2.309 4.926 1.00 0.00 C ATOM 793 CD1 ILE A 57 63.613 -2.370 1.412 1.00 0.00 C ATOM 0 H ILE A 57 62.929 -5.023 2.235 1.00 0.00 H new ATOM 0 HA ILE A 57 64.810 -4.843 4.546 1.00 0.00 H new ATOM 0 HB ILE A 57 62.519 -3.106 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 57 65.194 -2.124 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 57 65.035 -3.760 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.736 -1.273 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.274 -2.554 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.953 -2.440 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 57 64.255 -2.119 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 57 62.905 -3.143 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 57 63.067 -1.481 1.729 1.00 0.00 H new ATOM 805 N SER A 58 62.224 -6.290 5.097 1.00 0.00 N ATOM 806 CA SER A 58 61.279 -6.788 6.135 1.00 0.00 C ATOM 807 C SER A 58 61.874 -6.581 7.530 1.00 0.00 C ATOM 808 O SER A 58 63.075 -6.584 7.707 1.00 0.00 O ATOM 809 CB SER A 58 61.128 -8.280 5.840 1.00 0.00 C ATOM 810 OG SER A 58 59.808 -8.537 5.378 1.00 0.00 O ATOM 0 H SER A 58 62.340 -6.901 4.288 1.00 0.00 H new ATOM 0 HA SER A 58 60.323 -6.264 6.113 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.855 -8.589 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.331 -8.862 6.739 1.00 0.00 H new ATOM 0 HG SER A 58 59.709 -9.493 5.186 1.00 0.00 H new ATOM 816 N GLY A 59 61.044 -6.403 8.521 1.00 0.00 N ATOM 817 CA GLY A 59 61.571 -6.199 9.899 1.00 0.00 C ATOM 818 C GLY A 59 60.482 -5.595 10.785 1.00 0.00 C ATOM 819 O GLY A 59 59.509 -5.058 10.295 1.00 0.00 O ATOM 0 H GLY A 59 60.028 -6.390 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 59 61.905 -7.149 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.439 -5.540 9.873 1.00 0.00 H new ATOM 823 N PRO A 60 60.690 -5.703 12.069 1.00 0.00 N ATOM 824 CA PRO A 60 59.720 -5.152 13.045 1.00 0.00 C ATOM 825 C PRO A 60 59.846 -3.628 13.099 1.00 0.00 C ATOM 826 O PRO A 60 59.129 -2.959 13.816 1.00 0.00 O ATOM 827 CB PRO A 60 60.147 -5.779 14.367 1.00 0.00 C ATOM 828 CG PRO A 60 61.600 -6.100 14.196 1.00 0.00 C ATOM 829 CD PRO A 60 61.837 -6.338 12.726 1.00 0.00 C ATOM 0 HA PRO A 60 58.681 -5.369 12.796 1.00 0.00 H new ATOM 0 HB2 PRO A 60 59.990 -5.091 15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 60 59.568 -6.677 14.583 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.220 -5.279 14.557 1.00 0.00 H new ATOM 0 HG3 PRO A 60 61.869 -6.982 14.776 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.778 -5.897 12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 60 61.887 -7.403 12.498 1.00 0.00 H new ATOM 837 N GLY A 61 60.756 -3.077 12.342 1.00 0.00 N ATOM 838 CA GLY A 61 60.937 -1.600 12.340 1.00 0.00 C ATOM 839 C GLY A 61 62.218 -1.241 11.578 1.00 0.00 C ATOM 840 O GLY A 61 62.900 -0.291 11.907 1.00 0.00 O ATOM 0 H GLY A 61 61.384 -3.590 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.077 -1.119 11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.994 -1.229 13.363 1.00 0.00 H new ATOM 844 N CYS A 62 62.548 -1.992 10.559 1.00 0.00 N ATOM 845 CA CYS A 62 63.783 -1.689 9.778 1.00 0.00 C ATOM 846 C CYS A 62 63.797 -0.213 9.372 1.00 0.00 C ATOM 847 O CYS A 62 62.883 0.271 8.733 1.00 0.00 O ATOM 848 CB CYS A 62 63.696 -2.583 8.539 1.00 0.00 C ATOM 849 SG CYS A 62 65.363 -3.040 8.000 1.00 0.00 S ATOM 0 H CYS A 62 62.017 -2.800 10.235 1.00 0.00 H new ATOM 0 HA CYS A 62 64.692 -1.873 10.351 1.00 0.00 H new ATOM 0 HB2 CYS A 62 63.118 -3.479 8.765 1.00 0.00 H new ATOM 0 HB3 CYS A 62 63.174 -2.060 7.737 1.00 0.00 H new ATOM 854 N LYS A 63 64.821 0.509 9.735 1.00 0.00 N ATOM 855 CA LYS A 63 64.873 1.949 9.361 1.00 0.00 C ATOM 856 C LYS A 63 65.827 2.154 8.181 1.00 0.00 C ATOM 857 O LYS A 63 66.963 1.724 8.207 1.00 0.00 O ATOM 858 CB LYS A 63 65.390 2.666 10.609 1.00 0.00 C ATOM 859 CG LYS A 63 65.743 4.117 10.269 1.00 0.00 C ATOM 860 CD LYS A 63 66.698 4.669 11.330 1.00 0.00 C ATOM 861 CE LYS A 63 66.793 6.191 11.198 1.00 0.00 C ATOM 862 NZ LYS A 63 66.347 6.718 12.517 1.00 0.00 N ATOM 0 H LYS A 63 65.619 0.167 10.271 1.00 0.00 H new ATOM 0 HA LYS A 63 63.901 2.332 9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.633 2.641 11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 63 66.268 2.150 10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 63 66.207 4.169 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.838 4.723 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 63 66.344 4.402 12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 63 67.685 4.222 11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 63 67.812 6.505 10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 63 66.159 6.558 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 66.384 7.757 12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 65.372 6.408 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 66.973 6.357 13.265 1.00 0.00 H new ATOM 876 N ILE A 64 65.376 2.811 7.149 1.00 0.00 N ATOM 877 CA ILE A 64 66.258 3.048 5.971 1.00 0.00 C ATOM 878 C ILE A 64 66.154 4.508 5.528 1.00 0.00 C ATOM 879 O ILE A 64 65.093 5.098 5.548 1.00 0.00 O ATOM 880 CB ILE A 64 65.728 2.112 4.885 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.714 0.679 5.421 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.631 2.188 3.653 1.00 0.00 C ATOM 883 CD1 ILE A 64 67.151 0.193 5.624 1.00 0.00 C ATOM 0 H ILE A 64 64.434 3.195 7.070 1.00 0.00 H new ATOM 0 HA ILE A 64 67.308 2.857 6.190 1.00 0.00 H new ATOM 0 HB ILE A 64 64.717 2.411 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 64 65.169 0.638 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 64 65.193 0.024 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.250 1.519 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 64 66.644 3.210 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.643 1.889 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 64 67.139 -0.828 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 64 67.682 0.218 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.657 0.842 6.339 1.00 0.00 H new ATOM 895 N SER A 65 67.247 5.095 5.133 1.00 0.00 N ATOM 896 CA SER A 65 67.209 6.517 4.694 1.00 0.00 C ATOM 897 C SER A 65 68.315 6.781 3.670 1.00 0.00 C ATOM 898 O SER A 65 69.473 6.502 3.909 1.00 0.00 O ATOM 899 CB SER A 65 67.440 7.330 5.970 1.00 0.00 C ATOM 900 OG SER A 65 68.686 8.009 5.885 1.00 0.00 O ATOM 0 H SER A 65 68.165 4.652 5.095 1.00 0.00 H new ATOM 0 HA SER A 65 66.267 6.780 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.632 8.048 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.432 6.672 6.839 1.00 0.00 H new ATOM 0 HG SER A 65 68.831 8.530 6.702 1.00 0.00 H new ATOM 906 N THR A 66 67.961 7.311 2.533 1.00 0.00 N ATOM 907 CA THR A 66 68.979 7.596 1.480 1.00 0.00 C ATOM 908 C THR A 66 70.022 6.476 1.416 1.00 0.00 C ATOM 909 O THR A 66 71.163 6.647 1.796 1.00 0.00 O ATOM 910 CB THR A 66 69.625 8.916 1.894 1.00 0.00 C ATOM 911 OG1 THR A 66 68.632 9.783 2.424 1.00 0.00 O ATOM 912 CG2 THR A 66 70.270 9.561 0.668 1.00 0.00 C ATOM 0 H THR A 66 67.004 7.561 2.285 1.00 0.00 H new ATOM 0 HA THR A 66 68.532 7.657 0.488 1.00 0.00 H new ATOM 0 HB THR A 66 70.385 8.734 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.046 10.630 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.734 10.505 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.029 8.892 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.508 9.747 -0.089 1.00 0.00 H new ATOM 920 N CYS A 67 69.635 5.336 0.922 1.00 0.00 N ATOM 921 CA CYS A 67 70.587 4.194 0.807 1.00 0.00 C ATOM 922 C CYS A 67 70.521 3.623 -0.611 1.00 0.00 C ATOM 923 O CYS A 67 69.461 3.272 -1.092 1.00 0.00 O ATOM 924 CB CYS A 67 70.086 3.155 1.812 1.00 0.00 C ATOM 925 SG CYS A 67 70.145 3.845 3.482 1.00 0.00 S ATOM 0 H CYS A 67 68.691 5.142 0.589 1.00 0.00 H new ATOM 0 HA CYS A 67 71.618 4.487 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.066 2.859 1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 67 70.700 2.256 1.757 1.00 0.00 H new ATOM 930 N ILE A 68 71.628 3.525 -1.291 1.00 0.00 N ATOM 931 CA ILE A 68 71.586 2.972 -2.674 1.00 0.00 C ATOM 932 C ILE A 68 71.860 1.471 -2.648 1.00 0.00 C ATOM 933 O ILE A 68 72.985 1.027 -2.767 1.00 0.00 O ATOM 934 CB ILE A 68 72.676 3.703 -3.455 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.249 5.152 -3.697 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.873 3.006 -4.800 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.173 5.889 -2.360 1.00 0.00 C ATOM 0 H ILE A 68 72.551 3.800 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 68 70.608 3.114 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 68 73.606 3.690 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 68 72.961 5.647 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.280 5.179 -4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.650 3.520 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.171 1.971 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.939 3.029 -5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.869 6.922 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.444 5.398 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.151 5.874 -1.880 1.00 0.00 H new ATOM 949 N ILE A 69 70.834 0.689 -2.491 1.00 0.00 N ATOM 950 CA ILE A 69 71.017 -0.789 -2.455 1.00 0.00 C ATOM 951 C ILE A 69 70.754 -1.384 -3.839 1.00 0.00 C ATOM 952 O ILE A 69 70.064 -0.807 -4.654 1.00 0.00 O ATOM 953 CB ILE A 69 69.982 -1.290 -1.450 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.154 -0.543 -0.126 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.179 -2.788 -1.218 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.806 -0.465 0.595 1.00 0.00 C ATOM 0 H ILE A 69 69.871 1.009 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 69 72.030 -1.075 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 69 68.980 -1.112 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.884 -1.055 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.539 0.460 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.440 -3.145 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.057 -3.321 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.181 -2.967 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.928 0.067 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.089 0.066 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.440 -1.473 0.792 1.00 0.00 H new ATOM 968 N THR A 70 71.301 -2.536 -4.110 1.00 0.00 N ATOM 969 CA THR A 70 71.086 -3.171 -5.441 1.00 0.00 C ATOM 970 C THR A 70 71.191 -4.694 -5.324 1.00 0.00 C ATOM 971 O THR A 70 72.262 -5.258 -5.415 1.00 0.00 O ATOM 972 CB THR A 70 72.211 -2.629 -6.322 1.00 0.00 C ATOM 973 OG1 THR A 70 72.017 -1.237 -6.532 1.00 0.00 O ATOM 974 CG2 THR A 70 72.203 -3.357 -7.667 1.00 0.00 C ATOM 0 H THR A 70 71.889 -3.066 -3.467 1.00 0.00 H new ATOM 0 HA THR A 70 70.100 -2.949 -5.849 1.00 0.00 H new ATOM 0 HB THR A 70 73.170 -2.792 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 70 72.739 -0.887 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 70 73.006 -2.970 -8.295 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.352 -4.424 -7.504 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.245 -3.196 -8.162 1.00 0.00 H new ATOM 982 N GLY A 71 70.090 -5.364 -5.127 1.00 0.00 N ATOM 983 CA GLY A 71 70.140 -6.848 -5.008 1.00 0.00 C ATOM 984 C GLY A 71 70.315 -7.234 -3.543 1.00 0.00 C ATOM 985 O GLY A 71 70.930 -8.231 -3.221 1.00 0.00 O ATOM 0 H GLY A 71 69.161 -4.950 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.224 -7.286 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.965 -7.244 -5.601 1.00 0.00 H new ATOM 989 N GLY A 72 69.782 -6.451 -2.652 1.00 0.00 N ATOM 990 CA GLY A 72 69.923 -6.770 -1.206 1.00 0.00 C ATOM 991 C GLY A 72 71.303 -6.322 -0.729 1.00 0.00 C ATOM 992 O GLY A 72 71.773 -6.729 0.314 1.00 0.00 O ATOM 0 H GLY A 72 69.254 -5.603 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 72 69.145 -6.267 -0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.798 -7.840 -1.043 1.00 0.00 H new ATOM 996 N VAL A 73 71.956 -5.483 -1.488 1.00 0.00 N ATOM 997 CA VAL A 73 73.310 -5.004 -1.079 1.00 0.00 C ATOM 998 C VAL A 73 73.347 -3.471 -1.035 1.00 0.00 C ATOM 999 O VAL A 73 73.120 -2.819 -2.033 1.00 0.00 O ATOM 1000 CB VAL A 73 74.250 -5.523 -2.165 1.00 0.00 C ATOM 1001 CG1 VAL A 73 74.078 -7.035 -2.310 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.910 -4.840 -3.492 1.00 0.00 C ATOM 0 H VAL A 73 71.612 -5.109 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 73 73.587 -5.356 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 73 75.282 -5.302 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.749 -7.405 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.315 -7.521 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 73 73.047 -7.259 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.578 -5.207 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.878 -5.065 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.031 -3.762 -3.388 1.00 0.00 H new ATOM 1012 N PRO A 74 73.640 -2.949 0.127 1.00 0.00 N ATOM 1013 CA PRO A 74 73.717 -1.477 0.301 1.00 0.00 C ATOM 1014 C PRO A 74 74.988 -0.927 -0.346 1.00 0.00 C ATOM 1015 O PRO A 74 76.023 -1.564 -0.348 1.00 0.00 O ATOM 1016 CB PRO A 74 73.764 -1.296 1.816 1.00 0.00 C ATOM 1017 CG PRO A 74 74.309 -2.583 2.348 1.00 0.00 C ATOM 1018 CD PRO A 74 73.923 -3.669 1.373 1.00 0.00 C ATOM 0 HA PRO A 74 72.884 -0.949 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.400 -0.455 2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.772 -1.092 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.393 -2.528 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.903 -2.793 3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.729 -4.391 1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.051 -4.224 1.719 1.00 0.00 H new ATOM 1026 N ALA A 75 74.922 0.256 -0.888 1.00 0.00 N ATOM 1027 CA ALA A 75 76.129 0.854 -1.525 1.00 0.00 C ATOM 1028 C ALA A 75 76.900 1.670 -0.485 1.00 0.00 C ATOM 1029 O ALA A 75 76.385 1.955 0.577 1.00 0.00 O ATOM 1030 CB ALA A 75 75.583 1.762 -2.628 1.00 0.00 C ATOM 0 H ALA A 75 74.084 0.836 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 75 76.814 0.105 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.412 2.242 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 75 75.006 1.167 -3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.941 2.524 -2.187 1.00 0.00 H new ATOM 1036 N PRO A 76 78.110 2.025 -0.822 1.00 0.00 N ATOM 1037 CA PRO A 76 78.947 2.821 0.108 1.00 0.00 C ATOM 1038 C PRO A 76 78.414 4.254 0.180 1.00 0.00 C ATOM 1039 O PRO A 76 79.123 5.204 -0.083 1.00 0.00 O ATOM 1040 CB PRO A 76 80.330 2.783 -0.534 1.00 0.00 C ATOM 1041 CG PRO A 76 80.072 2.541 -1.987 1.00 0.00 C ATOM 1042 CD PRO A 76 78.805 1.730 -2.080 1.00 0.00 C ATOM 0 HA PRO A 76 78.953 2.439 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.864 3.720 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.944 1.991 -0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.966 3.485 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.906 2.007 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.207 2.019 -2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 76 79.017 0.666 -2.180 1.00 0.00 H new ATOM 1050 N SER A 77 77.165 4.413 0.523 1.00 0.00 N ATOM 1051 CA SER A 77 76.578 5.781 0.596 1.00 0.00 C ATOM 1052 C SER A 77 76.865 6.419 1.957 1.00 0.00 C ATOM 1053 O SER A 77 76.563 5.860 2.994 1.00 0.00 O ATOM 1054 CB SER A 77 75.076 5.572 0.406 1.00 0.00 C ATOM 1055 OG SER A 77 74.608 6.434 -0.623 1.00 0.00 O ATOM 0 H SER A 77 76.525 3.654 0.756 1.00 0.00 H new ATOM 0 HA SER A 77 76.999 6.450 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 77 74.872 4.533 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.548 5.778 1.337 1.00 0.00 H new ATOM 0 HG SER A 77 73.848 6.957 -0.292 1.00 0.00 H new ATOM 1061 N ALA A 78 77.438 7.590 1.958 1.00 0.00 N ATOM 1062 CA ALA A 78 77.739 8.275 3.247 1.00 0.00 C ATOM 1063 C ALA A 78 76.469 8.928 3.797 1.00 0.00 C ATOM 1064 O ALA A 78 76.436 9.409 4.912 1.00 0.00 O ATOM 1065 CB ALA A 78 78.784 9.335 2.897 1.00 0.00 C ATOM 0 H ALA A 78 77.712 8.104 1.120 1.00 0.00 H new ATOM 0 HA ALA A 78 78.102 7.588 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.059 9.885 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.668 8.851 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.370 10.025 2.162 1.00 0.00 H new ATOM 1071 N ALA A 79 75.423 8.954 3.014 1.00 0.00 N ATOM 1072 CA ALA A 79 74.152 9.580 3.481 1.00 0.00 C ATOM 1073 C ALA A 79 73.195 8.513 4.023 1.00 0.00 C ATOM 1074 O ALA A 79 72.207 8.820 4.659 1.00 0.00 O ATOM 1075 CB ALA A 79 73.564 10.246 2.238 1.00 0.00 C ATOM 0 H ALA A 79 75.394 8.568 2.070 1.00 0.00 H new ATOM 0 HA ALA A 79 74.317 10.292 4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.623 10.732 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.264 10.990 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.385 9.492 1.472 1.00 0.00 H new ATOM 1081 N CYS A 80 73.479 7.262 3.780 1.00 0.00 N ATOM 1082 CA CYS A 80 72.581 6.183 4.289 1.00 0.00 C ATOM 1083 C CYS A 80 72.834 5.966 5.787 1.00 0.00 C ATOM 1084 O CYS A 80 73.777 6.495 6.342 1.00 0.00 O ATOM 1085 CB CYS A 80 72.953 4.945 3.468 1.00 0.00 C ATOM 1086 SG CYS A 80 72.044 3.506 4.079 1.00 0.00 S ATOM 0 H CYS A 80 74.291 6.940 3.253 1.00 0.00 H new ATOM 0 HA CYS A 80 71.522 6.421 4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.722 5.112 2.416 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.026 4.763 3.534 1.00 0.00 H new ATOM 1091 N LYS A 81 71.994 5.221 6.458 1.00 0.00 N ATOM 1092 CA LYS A 81 72.199 5.018 7.922 1.00 0.00 C ATOM 1093 C LYS A 81 72.895 3.680 8.210 1.00 0.00 C ATOM 1094 O LYS A 81 73.643 3.564 9.159 1.00 0.00 O ATOM 1095 CB LYS A 81 70.779 5.082 8.527 1.00 0.00 C ATOM 1096 CG LYS A 81 70.211 3.679 8.822 1.00 0.00 C ATOM 1097 CD LYS A 81 69.636 3.060 7.542 1.00 0.00 C ATOM 1098 CE LYS A 81 69.885 1.543 7.530 1.00 0.00 C ATOM 1099 NZ LYS A 81 69.213 1.017 8.754 1.00 0.00 N ATOM 0 H LYS A 81 71.182 4.749 6.060 1.00 0.00 H new ATOM 0 HA LYS A 81 72.854 5.772 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 81 70.804 5.664 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.115 5.604 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.996 3.038 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.434 3.746 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.567 3.261 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.098 3.519 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 81 69.474 1.085 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.952 1.321 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.758 0.216 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 69.160 1.768 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 68.252 0.700 8.513 1.00 0.00 H new ATOM 1113 N ILE A 82 72.658 2.676 7.409 1.00 0.00 N ATOM 1114 CA ILE A 82 73.309 1.351 7.653 1.00 0.00 C ATOM 1115 C ILE A 82 73.381 1.050 9.154 1.00 0.00 C ATOM 1116 O ILE A 82 74.446 0.844 9.700 1.00 0.00 O ATOM 1117 CB ILE A 82 74.719 1.486 7.082 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.642 2.034 5.658 1.00 0.00 C ATOM 1119 CG2 ILE A 82 75.395 0.116 7.065 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.927 1.025 4.761 1.00 0.00 C ATOM 0 H ILE A 82 72.043 2.713 6.596 1.00 0.00 H new ATOM 0 HA ILE A 82 72.749 0.538 7.190 1.00 0.00 H new ATOM 0 HB ILE A 82 75.298 2.169 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.109 2.984 5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.645 2.229 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 82 76.401 0.212 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 82 75.451 -0.275 8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.816 -0.568 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.872 1.416 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 82 74.479 0.085 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.919 0.853 5.138 1.00 0.00 H new ATOM 1132 N SER A 83 72.265 1.030 9.829 1.00 0.00 N ATOM 1133 CA SER A 83 72.296 0.750 11.295 1.00 0.00 C ATOM 1134 C SER A 83 71.616 -0.589 11.598 1.00 0.00 C ATOM 1135 O SER A 83 72.199 -1.640 11.430 1.00 0.00 O ATOM 1136 CB SER A 83 71.539 1.910 11.938 1.00 0.00 C ATOM 1137 OG SER A 83 72.433 2.998 12.135 1.00 0.00 O ATOM 0 H SER A 83 71.339 1.194 9.434 1.00 0.00 H new ATOM 0 HA SER A 83 73.313 0.673 11.680 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.709 2.216 11.301 1.00 0.00 H new ATOM 0 HB3 SER A 83 71.111 1.598 12.891 1.00 0.00 H new ATOM 0 HG SER A 83 72.873 3.217 11.287 1.00 0.00 H new ATOM 1143 N GLY A 84 70.387 -0.565 12.046 1.00 0.00 N ATOM 1144 CA GLY A 84 69.685 -1.841 12.357 1.00 0.00 C ATOM 1145 C GLY A 84 68.735 -2.188 11.214 1.00 0.00 C ATOM 1146 O GLY A 84 67.584 -1.799 11.214 1.00 0.00 O ATOM 0 H GLY A 84 69.842 0.282 12.209 1.00 0.00 H new ATOM 0 HA2 GLY A 84 70.410 -2.643 12.498 1.00 0.00 H new ATOM 0 HA3 GLY A 84 69.130 -1.745 13.290 1.00 0.00 H new ATOM 1150 N CYS A 85 69.203 -2.910 10.234 1.00 0.00 N ATOM 1151 CA CYS A 85 68.311 -3.268 9.097 1.00 0.00 C ATOM 1152 C CYS A 85 68.936 -4.374 8.245 1.00 0.00 C ATOM 1153 O CYS A 85 69.957 -4.939 8.585 1.00 0.00 O ATOM 1154 CB CYS A 85 68.178 -1.981 8.285 1.00 0.00 C ATOM 1155 SG CYS A 85 66.470 -1.391 8.369 1.00 0.00 S ATOM 0 H CYS A 85 70.157 -3.265 10.171 1.00 0.00 H new ATOM 0 HA CYS A 85 67.347 -3.645 9.437 1.00 0.00 H new ATOM 0 HB2 CYS A 85 68.856 -1.221 8.673 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.461 -2.161 7.248 1.00 0.00 H new ATOM 1160 N THR A 86 68.326 -4.680 7.134 1.00 0.00 N ATOM 1161 CA THR A 86 68.867 -5.742 6.238 1.00 0.00 C ATOM 1162 C THR A 86 67.989 -5.857 4.996 1.00 0.00 C ATOM 1163 O THR A 86 66.837 -5.473 5.002 1.00 0.00 O ATOM 1164 CB THR A 86 68.809 -7.038 7.047 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.122 -8.135 6.198 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.404 -7.225 7.624 1.00 0.00 C ATOM 0 H THR A 86 67.468 -4.236 6.805 1.00 0.00 H new ATOM 0 HA THR A 86 69.883 -5.523 5.909 1.00 0.00 H new ATOM 0 HB THR A 86 69.529 -6.988 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 86 68.314 -8.422 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.367 -8.150 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.162 -6.383 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.680 -7.275 6.810 1.00 0.00 H new ATOM 1174 N PHE A 87 68.519 -6.379 3.928 1.00 0.00 N ATOM 1175 CA PHE A 87 67.701 -6.513 2.688 1.00 0.00 C ATOM 1176 C PHE A 87 67.484 -7.992 2.359 1.00 0.00 C ATOM 1177 O PHE A 87 66.367 -8.447 2.205 1.00 0.00 O ATOM 1178 CB PHE A 87 68.518 -5.835 1.583 1.00 0.00 C ATOM 1179 CG PHE A 87 69.115 -4.540 2.090 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.474 -3.803 3.095 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.318 -4.077 1.546 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.041 -2.604 3.556 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.882 -2.885 2.004 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.247 -2.147 3.010 1.00 0.00 C ATOM 0 H PHE A 87 69.478 -6.718 3.857 1.00 0.00 H new ATOM 0 HA PHE A 87 66.716 -6.058 2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.312 -6.502 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.882 -5.637 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.544 -4.157 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.811 -4.643 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.548 -2.035 4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.811 -2.531 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.687 -1.226 3.365 1.00 0.00 H new ATOM 1194 N SER A 88 68.543 -8.747 2.249 1.00 0.00 N ATOM 1195 CA SER A 88 68.399 -10.197 1.928 1.00 0.00 C ATOM 1196 C SER A 88 67.810 -10.369 0.526 1.00 0.00 C ATOM 1197 O SER A 88 67.420 -11.452 0.135 1.00 0.00 O ATOM 1198 CB SER A 88 67.438 -10.745 2.981 1.00 0.00 C ATOM 1199 OG SER A 88 67.438 -9.884 4.112 1.00 0.00 O ATOM 0 H SER A 88 69.503 -8.423 2.368 1.00 0.00 H new ATOM 0 HA SER A 88 69.356 -10.719 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.432 -10.821 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 88 67.738 -11.751 3.275 1.00 0.00 H new ATOM 0 HG SER A 88 66.821 -10.233 4.789 1.00 0.00 H new ATOM 1205 N ALA A 89 67.740 -9.309 -0.233 1.00 0.00 N ATOM 1206 CA ALA A 89 67.170 -9.414 -1.607 1.00 0.00 C ATOM 1207 C ALA A 89 65.857 -10.196 -1.569 1.00 0.00 C ATOM 1208 O ALA A 89 65.845 -11.411 -1.588 1.00 0.00 O ATOM 1209 CB ALA A 89 68.222 -10.170 -2.417 1.00 0.00 C ATOM 0 H ALA A 89 68.052 -8.377 0.038 1.00 0.00 H new ATOM 0 HA ALA A 89 66.949 -8.439 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.875 -10.288 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.157 -9.610 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.385 -11.152 -1.974 1.00 0.00 H new ATOM 1215 N ASN A 90 64.749 -9.511 -1.508 1.00 0.00 N ATOM 1216 CA ASN A 90 63.439 -10.217 -1.463 1.00 0.00 C ATOM 1217 C ASN A 90 63.264 -11.093 -2.708 1.00 0.00 C ATOM 1218 O ASN A 90 64.253 -11.337 -3.380 1.00 0.00 O ATOM 1219 CB ASN A 90 62.388 -9.101 -1.417 1.00 0.00 C ATOM 1220 CG ASN A 90 62.153 -8.544 -2.823 1.00 0.00 C ATOM 1221 OD1 ASN A 90 61.258 -8.977 -3.521 1.00 0.00 O ATOM 1222 ND2 ASN A 90 62.925 -7.593 -3.268 1.00 0.00 N ATOM 1223 OXT ASN A 90 62.145 -11.504 -2.967 1.00 0.00 O ATOM 0 H ASN A 90 64.694 -8.493 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 90 63.354 -10.883 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.454 -9.487 -1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.721 -8.304 -0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.778 -7.212 -4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 90 63.676 -7.230 -2.682 1.00 0.00 H new