USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 364 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 212 CYS SG : rot 150:sc= -1.24 USER MOD Set 1.2: A 214 ASN :FLIP amide:sc= 1.16 F(o=-0.41,f=1.7) USER MOD Set 1.3: A 239 CYS SG : rot -83:sc= 0.498 USER MOD Set 1.4: A 242 CYS SG : rot -127:sc= 1.31 USER MOD Set 2.1: A 206 TYR OH : rot -177:sc= 0.081 USER MOD Set 2.2: A 209 MET CE :methyl -158:sc= -0.088 (180deg=-0.97) USER MOD Set 3.1: A 197 THR OG1 : rot 138:sc=0.000129 USER MOD Set 3.2: A 202 HIS : no HD1:sc= 0 X(o=0.00013,f=0) USER MOD Set 4.1: A 199 CYS SG : rot -170:sc= 0.358 USER MOD Set 4.2: A 201 CYS SG : rot 143:sc= 0.188 USER MOD Set 4.3: A 203 GLN : amide:sc= -1.97 K(o=-2,f=-3) USER MOD Set 4.4: A 223 HIS : no HD1:sc= -1.66 X(o=-2,f=-2.2) USER MOD Set 4.5: A 226 CYS SG : rot -124:sc= 1.03 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot 130:sc= 1.02 USER MOD Single : A 218 SER OG : rot -45:sc= 0.125 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 10.540 15.163 5.591 1.00 0.00 N ATOM 135 CA PRO A 196 9.909 16.032 6.581 1.00 0.00 C ATOM 136 C PRO A 196 8.872 16.967 5.943 1.00 0.00 C ATOM 137 O PRO A 196 8.901 17.226 4.738 1.00 0.00 O ATOM 138 CB PRO A 196 11.053 16.811 7.239 1.00 0.00 C ATOM 139 CG PRO A 196 12.120 16.858 6.148 1.00 0.00 C ATOM 140 CD PRO A 196 11.946 15.516 5.442 1.00 0.00 C ATOM 0 HA PRO A 196 9.351 15.453 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.739 17.811 7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.417 16.310 8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.965 17.695 5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.121 16.968 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.220 15.590 4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.588 14.755 5.886 1.00 0.00 H new ATOM 148 N THR A 197 7.955 17.479 6.774 1.00 0.00 N ATOM 149 CA THR A 197 6.804 18.270 6.358 1.00 0.00 C ATOM 150 C THR A 197 6.518 19.383 7.374 1.00 0.00 C ATOM 151 O THR A 197 7.138 19.450 8.437 1.00 0.00 O ATOM 152 CB THR A 197 5.559 17.370 6.181 1.00 0.00 C ATOM 153 OG1 THR A 197 5.180 16.777 7.408 1.00 0.00 O ATOM 154 CG2 THR A 197 5.739 16.267 5.130 1.00 0.00 C ATOM 0 H THR A 197 8.001 17.346 7.784 1.00 0.00 H new ATOM 0 HA THR A 197 7.036 18.730 5.398 1.00 0.00 H new ATOM 0 HB THR A 197 4.774 18.037 5.825 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.204 16.803 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.825 15.677 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.952 16.719 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 197 6.568 15.621 5.419 1.00 0.00 H new ATOM 162 N TYR A 198 5.551 20.243 7.030 1.00 0.00 N ATOM 163 CA TYR A 198 5.246 21.473 7.762 1.00 0.00 C ATOM 164 C TYR A 198 3.743 21.692 7.982 1.00 0.00 C ATOM 165 O TYR A 198 3.292 21.431 9.090 1.00 0.00 O ATOM 166 CB TYR A 198 5.894 22.650 7.034 1.00 0.00 C ATOM 167 CG TYR A 198 7.411 22.665 7.093 1.00 0.00 C ATOM 168 CD1 TYR A 198 8.058 22.880 8.326 1.00 0.00 C ATOM 169 CD2 TYR A 198 8.175 22.467 5.925 1.00 0.00 C ATOM 170 CE1 TYR A 198 9.462 22.914 8.396 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.579 22.498 5.987 1.00 0.00 C ATOM 172 CZ TYR A 198 10.228 22.727 7.223 1.00 0.00 C ATOM 173 OH TYR A 198 11.590 22.762 7.283 1.00 0.00 O ATOM 0 H TYR A 198 4.949 20.098 6.219 1.00 0.00 H new ATOM 0 HA TYR A 198 5.664 21.386 8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.583 22.631 5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 198 5.517 23.579 7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.472 23.019 9.223 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.681 22.291 4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.953 23.082 9.343 1.00 0.00 H new ATOM 0 HE2 TYR A 198 10.162 22.347 5.091 1.00 0.00 H new ATOM 0 HH TYR A 198 11.961 22.614 6.388 1.00 0.00 H new ATOM 183 N CYS A 199 2.984 22.176 6.977 1.00 0.00 N ATOM 184 CA CYS A 199 1.564 22.531 7.090 1.00 0.00 C ATOM 185 C CYS A 199 0.684 21.373 7.580 1.00 0.00 C ATOM 186 O CYS A 199 1.103 20.217 7.598 1.00 0.00 O ATOM 187 CB CYS A 199 1.009 23.208 5.807 1.00 0.00 C ATOM 188 SG CYS A 199 -0.377 24.307 6.252 1.00 0.00 S ATOM 0 H CYS A 199 3.357 22.333 6.041 1.00 0.00 H new ATOM 0 HA CYS A 199 1.515 23.285 7.875 1.00 0.00 H new ATOM 0 HB2 CYS A 199 1.796 23.779 5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.674 22.450 5.099 1.00 0.00 H new ATOM 0 HG CYS A 199 -0.978 24.707 5.171 1.00 0.00 H new ATOM 193 N LEU A 200 -0.570 21.700 7.928 1.00 0.00 N ATOM 194 CA LEU A 200 -1.634 20.729 8.205 1.00 0.00 C ATOM 195 C LEU A 200 -1.925 19.807 7.007 1.00 0.00 C ATOM 196 O LEU A 200 -2.616 18.801 7.149 1.00 0.00 O ATOM 197 CB LEU A 200 -2.892 21.454 8.723 1.00 0.00 C ATOM 198 CG LEU A 200 -3.539 22.418 7.705 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.582 21.742 6.800 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.223 23.593 8.421 1.00 0.00 C ATOM 0 H LEU A 200 -0.877 22.668 8.026 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.284 20.063 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.630 20.708 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.629 22.015 9.620 1.00 0.00 H new ATOM 0 HG LEU A 200 -2.718 22.767 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -4.996 22.477 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.108 20.940 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.383 21.329 7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -4.671 24.258 7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -4.999 23.212 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -3.485 24.143 9.004 1.00 0.00 H new ATOM 212 N CYS A 201 -1.374 20.159 5.839 1.00 0.00 N ATOM 213 CA CYS A 201 -1.390 19.390 4.605 1.00 0.00 C ATOM 214 C CYS A 201 -0.403 18.215 4.620 1.00 0.00 C ATOM 215 O CYS A 201 -0.583 17.259 3.868 1.00 0.00 O ATOM 216 CB CYS A 201 -0.921 20.343 3.512 1.00 0.00 C ATOM 217 SG CYS A 201 -2.021 21.768 3.310 1.00 0.00 S ATOM 0 H CYS A 201 -0.877 21.043 5.732 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.391 18.986 4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 201 0.083 20.695 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -0.856 19.803 2.568 1.00 0.00 H new ATOM 0 HG CYS A 201 -1.316 22.826 3.039 1.00 0.00 H new ATOM 223 N HIS A 202 0.645 18.322 5.449 1.00 0.00 N ATOM 224 CA HIS A 202 1.814 17.456 5.507 1.00 0.00 C ATOM 225 C HIS A 202 2.507 17.352 4.146 1.00 0.00 C ATOM 226 O HIS A 202 2.494 16.307 3.496 1.00 0.00 O ATOM 227 CB HIS A 202 1.495 16.123 6.200 1.00 0.00 C ATOM 228 CG HIS A 202 1.122 16.324 7.648 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.998 16.398 8.706 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.133 16.561 8.146 1.00 0.00 C ATOM 231 CE1 HIS A 202 1.282 16.670 9.811 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.026 16.780 9.523 1.00 0.00 N ATOM 0 H HIS A 202 0.694 19.070 6.141 1.00 0.00 H new ATOM 0 HA HIS A 202 2.565 17.915 6.150 1.00 0.00 H new ATOM 0 HB2 HIS A 202 0.676 15.628 5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 202 2.360 15.463 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -1.048 16.576 7.573 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.702 16.785 10.799 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.784 16.982 10.175 1.00 0.00 H new ATOM 240 N GLN A 203 3.123 18.474 3.743 1.00 0.00 N ATOM 241 CA GLN A 203 3.964 18.600 2.563 1.00 0.00 C ATOM 242 C GLN A 203 5.312 19.257 2.898 1.00 0.00 C ATOM 243 O GLN A 203 5.468 19.881 3.949 1.00 0.00 O ATOM 244 CB GLN A 203 3.195 19.313 1.431 1.00 0.00 C ATOM 245 CG GLN A 203 3.228 20.854 1.419 1.00 0.00 C ATOM 246 CD GLN A 203 2.546 21.541 2.600 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.444 22.068 2.471 1.00 0.00 O ATOM 248 NE2 GLN A 203 3.205 21.627 3.752 1.00 0.00 N ATOM 0 H GLN A 203 3.039 19.350 4.259 1.00 0.00 H new ATOM 0 HA GLN A 203 4.211 17.604 2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.591 18.959 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.153 18.998 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 203 4.269 21.176 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.758 21.202 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 203 4.120 21.186 3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.796 22.134 4.537 1.00 0.00 H new ATOM 257 N VAL A 204 6.278 19.115 1.983 1.00 0.00 N ATOM 258 CA VAL A 204 7.659 19.595 2.114 1.00 0.00 C ATOM 259 C VAL A 204 7.726 21.141 2.079 1.00 0.00 C ATOM 260 O VAL A 204 6.705 21.822 1.972 1.00 0.00 O ATOM 261 CB VAL A 204 8.568 18.941 1.027 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.998 18.700 1.550 1.00 0.00 C ATOM 263 CG2 VAL A 204 8.065 17.579 0.503 1.00 0.00 C ATOM 0 H VAL A 204 6.112 18.643 1.094 1.00 0.00 H new ATOM 0 HA VAL A 204 8.039 19.290 3.089 1.00 0.00 H new ATOM 0 HB VAL A 204 8.545 19.665 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.601 18.244 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 204 10.443 19.651 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.963 18.035 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.758 17.200 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 204 8.003 16.871 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.078 17.703 0.057 1.00 0.00 H new ATOM 273 N SER A 205 8.948 21.683 2.180 1.00 0.00 N ATOM 274 CA SER A 205 9.301 23.105 2.144 1.00 0.00 C ATOM 275 C SER A 205 8.653 23.897 0.994 1.00 0.00 C ATOM 276 O SER A 205 8.329 23.356 -0.064 1.00 0.00 O ATOM 277 CB SER A 205 10.829 23.246 2.106 1.00 0.00 C ATOM 278 OG SER A 205 11.372 22.632 0.954 1.00 0.00 O ATOM 0 H SER A 205 9.773 21.095 2.297 1.00 0.00 H new ATOM 0 HA SER A 205 8.895 23.548 3.053 1.00 0.00 H new ATOM 0 HB2 SER A 205 11.100 24.302 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 205 11.261 22.794 2.999 1.00 0.00 H new ATOM 0 HG SER A 205 12.346 22.739 0.955 1.00 0.00 H new ATOM 284 N TYR A 206 8.487 25.204 1.236 1.00 0.00 N ATOM 285 CA TYR A 206 7.707 26.141 0.429 1.00 0.00 C ATOM 286 C TYR A 206 8.234 27.573 0.612 1.00 0.00 C ATOM 287 O TYR A 206 9.035 27.842 1.509 1.00 0.00 O ATOM 288 CB TYR A 206 6.215 26.032 0.808 1.00 0.00 C ATOM 289 CG TYR A 206 5.898 26.182 2.288 1.00 0.00 C ATOM 290 CD1 TYR A 206 6.208 25.133 3.176 1.00 0.00 C ATOM 291 CD2 TYR A 206 5.283 27.349 2.785 1.00 0.00 C ATOM 292 CE1 TYR A 206 5.976 25.264 4.550 1.00 0.00 C ATOM 293 CE2 TYR A 206 4.969 27.442 4.151 1.00 0.00 C ATOM 294 CZ TYR A 206 5.327 26.409 5.041 1.00 0.00 C ATOM 295 OH TYR A 206 5.041 26.508 6.366 1.00 0.00 O ATOM 0 H TYR A 206 8.917 25.656 2.043 1.00 0.00 H new ATOM 0 HA TYR A 206 7.811 25.887 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 206 5.663 26.794 0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 206 5.843 25.064 0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 206 6.630 24.216 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 206 5.054 28.168 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 206 6.295 24.488 5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 206 4.449 28.312 4.523 1.00 0.00 H new ATOM 0 HH TYR A 206 4.550 27.340 6.533 1.00 0.00 H new ATOM 305 N GLY A 207 7.785 28.487 -0.259 1.00 0.00 N ATOM 306 CA GLY A 207 8.351 29.826 -0.387 1.00 0.00 C ATOM 307 C GLY A 207 7.923 30.821 0.694 1.00 0.00 C ATOM 308 O GLY A 207 8.765 31.593 1.153 1.00 0.00 O ATOM 0 H GLY A 207 7.010 28.310 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 207 9.438 29.746 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 207 8.072 30.229 -1.360 1.00 0.00 H new ATOM 312 N GLU A 208 6.650 30.802 1.117 1.00 0.00 N ATOM 313 CA GLU A 208 6.055 31.830 1.948 1.00 0.00 C ATOM 314 C GLU A 208 5.288 31.192 3.111 1.00 0.00 C ATOM 315 O GLU A 208 4.343 30.427 2.918 1.00 0.00 O ATOM 316 CB GLU A 208 5.236 32.733 1.021 1.00 0.00 C ATOM 317 CG GLU A 208 3.983 32.147 0.329 1.00 0.00 C ATOM 318 CD GLU A 208 4.302 31.035 -0.676 1.00 0.00 C ATOM 319 OE1 GLU A 208 4.718 31.382 -1.802 1.00 0.00 O ATOM 320 OE2 GLU A 208 4.154 29.853 -0.293 1.00 0.00 O ATOM 0 H GLU A 208 6.002 30.051 0.880 1.00 0.00 H new ATOM 0 HA GLU A 208 6.792 32.462 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.918 33.600 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 208 5.904 33.098 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 208 3.308 31.755 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 208 3.453 32.949 -0.185 1.00 0.00 H new ATOM 327 N MET A 209 5.732 31.515 4.333 1.00 0.00 N ATOM 328 CA MET A 209 5.367 30.771 5.541 1.00 0.00 C ATOM 329 C MET A 209 5.138 31.637 6.783 1.00 0.00 C ATOM 330 O MET A 209 5.780 32.671 6.975 1.00 0.00 O ATOM 331 CB MET A 209 6.507 29.775 5.898 1.00 0.00 C ATOM 332 CG MET A 209 7.473 29.331 4.778 1.00 0.00 C ATOM 333 SD MET A 209 8.414 27.785 5.008 1.00 0.00 S ATOM 334 CE MET A 209 8.579 27.630 6.806 1.00 0.00 C ATOM 0 H MET A 209 6.356 32.302 4.510 1.00 0.00 H new ATOM 0 HA MET A 209 4.425 30.281 5.297 1.00 0.00 H new ATOM 0 HB2 MET A 209 7.104 30.224 6.692 1.00 0.00 H new ATOM 0 HB3 MET A 209 6.046 28.879 6.314 1.00 0.00 H new ATOM 0 HG2 MET A 209 6.894 29.234 3.859 1.00 0.00 H new ATOM 0 HG3 MET A 209 8.190 30.136 4.620 1.00 0.00 H new ATOM 0 HE1 MET A 209 9.427 26.986 7.039 1.00 0.00 H new ATOM 0 HE2 MET A 209 8.741 28.615 7.243 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.668 27.196 7.219 1.00 0.00 H new ATOM 344 N ILE A 210 4.284 31.108 7.669 1.00 0.00 N ATOM 345 CA ILE A 210 4.060 31.579 9.037 1.00 0.00 C ATOM 346 C ILE A 210 3.706 30.395 9.944 1.00 0.00 C ATOM 347 O ILE A 210 3.163 29.397 9.480 1.00 0.00 O ATOM 348 CB ILE A 210 2.986 32.680 9.049 1.00 0.00 C ATOM 349 CG1 ILE A 210 2.871 33.346 10.437 1.00 0.00 C ATOM 350 CG2 ILE A 210 1.621 32.191 8.523 1.00 0.00 C ATOM 351 CD1 ILE A 210 2.220 34.732 10.390 1.00 0.00 C ATOM 0 H ILE A 210 3.704 30.301 7.438 1.00 0.00 H new ATOM 0 HA ILE A 210 4.974 32.024 9.431 1.00 0.00 H new ATOM 0 HB ILE A 210 3.319 33.446 8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 210 2.289 32.701 11.095 1.00 0.00 H new ATOM 0 HG13 ILE A 210 3.866 33.434 10.874 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.904 33.011 8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 210 1.730 31.845 7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 210 1.263 31.371 9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 210 2.169 35.145 11.398 1.00 0.00 H new ATOM 0 HD12 ILE A 210 2.814 35.392 9.757 1.00 0.00 H new ATOM 0 HD13 ILE A 210 1.213 34.647 9.982 1.00 0.00 H new ATOM 363 N GLY A 211 4.014 30.508 11.239 1.00 0.00 N ATOM 364 CA GLY A 211 3.946 29.411 12.193 1.00 0.00 C ATOM 365 C GLY A 211 3.226 29.811 13.473 1.00 0.00 C ATOM 366 O GLY A 211 3.289 30.970 13.886 1.00 0.00 O ATOM 0 H GLY A 211 4.324 31.386 11.657 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.431 28.565 11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.955 29.077 12.434 1.00 0.00 H new ATOM 370 N CYS A 212 2.513 28.843 14.073 1.00 0.00 N ATOM 371 CA CYS A 212 1.639 29.134 15.212 1.00 0.00 C ATOM 372 C CYS A 212 2.449 29.474 16.463 1.00 0.00 C ATOM 373 O CYS A 212 3.505 28.902 16.732 1.00 0.00 O ATOM 374 CB CYS A 212 0.592 28.052 15.522 1.00 0.00 C ATOM 375 SG CYS A 212 -0.805 28.823 16.407 1.00 0.00 S ATOM 0 H CYS A 212 2.527 27.863 13.789 1.00 0.00 H new ATOM 0 HA CYS A 212 1.067 30.008 14.900 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.244 27.588 14.599 1.00 0.00 H new ATOM 0 HB3 CYS A 212 1.034 27.262 16.129 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.901 28.180 16.132 1.00 0.00 H new ATOM 380 N ASP A 213 1.884 30.409 17.223 1.00 0.00 N ATOM 381 CA ASP A 213 2.464 31.020 18.411 1.00 0.00 C ATOM 382 C ASP A 213 2.360 30.141 19.673 1.00 0.00 C ATOM 383 O ASP A 213 2.948 30.479 20.700 1.00 0.00 O ATOM 384 CB ASP A 213 1.746 32.366 18.611 1.00 0.00 C ATOM 385 CG ASP A 213 2.354 33.222 19.720 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.429 33.806 19.464 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.719 33.300 20.795 1.00 0.00 O ATOM 0 H ASP A 213 0.957 30.780 17.012 1.00 0.00 H new ATOM 0 HA ASP A 213 3.535 31.152 18.258 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.772 32.925 17.676 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.697 32.179 18.841 1.00 0.00 H new ATOM 392 N ASN A 214 1.621 29.023 19.616 1.00 0.00 N ATOM 393 CA ASN A 214 1.259 28.263 20.809 1.00 0.00 C ATOM 394 C ASN A 214 2.431 27.411 21.325 1.00 0.00 C ATOM 395 O ASN A 214 3.161 26.840 20.512 1.00 0.00 O ATOM 396 CB ASN A 214 0.068 27.332 20.523 1.00 0.00 C ATOM 397 CG ASN A 214 -1.142 27.999 19.878 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.957 27.197 19.196 1.00 0.00 O flip ATOM 399 ND2 ASN A 214 -1.344 29.203 19.978 1.00 0.00 N flip ATOM 0 H ASN A 214 1.263 28.628 18.747 1.00 0.00 H new ATOM 0 HA ASN A 214 0.989 28.993 21.572 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.407 26.525 19.873 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.247 26.874 21.461 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -0.697 29.786 20.509 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.159 29.622 19.530 1.00 0.00 H new ATOM 406 N PRO A 215 2.556 27.224 22.655 1.00 0.00 N ATOM 407 CA PRO A 215 3.474 26.260 23.267 1.00 0.00 C ATOM 408 C PRO A 215 2.956 24.807 23.164 1.00 0.00 C ATOM 409 O PRO A 215 3.525 23.910 23.783 1.00 0.00 O ATOM 410 CB PRO A 215 3.589 26.722 24.725 1.00 0.00 C ATOM 411 CG PRO A 215 2.191 27.262 25.017 1.00 0.00 C ATOM 412 CD PRO A 215 1.793 27.909 23.692 1.00 0.00 C ATOM 0 HA PRO A 215 4.439 26.239 22.760 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.853 25.900 25.391 1.00 0.00 H new ATOM 0 HB3 PRO A 215 4.353 27.489 24.848 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.502 26.467 25.302 1.00 0.00 H new ATOM 0 HG3 PRO A 215 2.199 27.984 25.833 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.722 27.808 23.517 1.00 0.00 H new ATOM 0 HD3 PRO A 215 2.016 28.976 23.698 1.00 0.00 H new ATOM 420 N ASP A 216 1.875 24.586 22.399 1.00 0.00 N ATOM 421 CA ASP A 216 1.111 23.343 22.317 1.00 0.00 C ATOM 422 C ASP A 216 0.831 22.927 20.860 1.00 0.00 C ATOM 423 O ASP A 216 0.366 21.812 20.624 1.00 0.00 O ATOM 424 CB ASP A 216 -0.186 23.549 23.119 1.00 0.00 C ATOM 425 CG ASP A 216 -1.048 22.289 23.220 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.606 21.349 23.916 1.00 0.00 O ATOM 427 OD2 ASP A 216 -2.138 22.294 22.607 1.00 0.00 O ATOM 0 H ASP A 216 1.495 25.312 21.791 1.00 0.00 H new ATOM 0 HA ASP A 216 1.688 22.521 22.741 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.067 23.888 24.124 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.770 24.343 22.653 1.00 0.00 H new ATOM 432 N CYS A 217 1.144 23.786 19.877 1.00 0.00 N ATOM 433 CA CYS A 217 1.077 23.461 18.466 1.00 0.00 C ATOM 434 C CYS A 217 2.067 22.336 18.143 1.00 0.00 C ATOM 435 O CYS A 217 3.220 22.360 18.574 1.00 0.00 O ATOM 436 CB CYS A 217 1.347 24.721 17.639 1.00 0.00 C ATOM 437 SG CYS A 217 1.055 24.405 15.882 1.00 0.00 S ATOM 0 H CYS A 217 1.455 24.741 20.057 1.00 0.00 H new ATOM 0 HA CYS A 217 0.080 23.101 18.210 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.703 25.531 17.980 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.376 25.047 17.789 1.00 0.00 H new ATOM 0 HG CYS A 217 0.283 25.332 15.397 1.00 0.00 H new ATOM 443 N SER A 218 1.588 21.377 17.347 1.00 0.00 N ATOM 444 CA SER A 218 2.294 20.155 16.954 1.00 0.00 C ATOM 445 C SER A 218 2.433 20.064 15.421 1.00 0.00 C ATOM 446 O SER A 218 2.776 19.015 14.879 1.00 0.00 O ATOM 447 CB SER A 218 1.560 18.955 17.569 1.00 0.00 C ATOM 448 OG SER A 218 2.362 17.793 17.534 1.00 0.00 O ATOM 0 H SER A 218 0.654 21.434 16.940 1.00 0.00 H new ATOM 0 HA SER A 218 3.315 20.163 17.336 1.00 0.00 H new ATOM 0 HB2 SER A 218 1.288 19.181 18.600 1.00 0.00 H new ATOM 0 HB3 SER A 218 0.632 18.776 17.026 1.00 0.00 H new ATOM 0 HG SER A 218 2.784 17.713 16.653 1.00 0.00 H new ATOM 454 N ILE A 219 2.184 21.190 14.735 1.00 0.00 N ATOM 455 CA ILE A 219 2.337 21.386 13.294 1.00 0.00 C ATOM 456 C ILE A 219 3.365 22.508 13.040 1.00 0.00 C ATOM 457 O ILE A 219 4.123 22.411 12.079 1.00 0.00 O ATOM 458 CB ILE A 219 0.956 21.690 12.656 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.145 20.650 12.981 1.00 0.00 C ATOM 460 CG2 ILE A 219 1.042 21.872 11.130 1.00 0.00 C ATOM 461 CD1 ILE A 219 0.097 19.232 12.443 1.00 0.00 C ATOM 0 H ILE A 219 1.852 22.034 15.202 1.00 0.00 H new ATOM 0 HA ILE A 219 2.715 20.478 12.823 1.00 0.00 H new ATOM 0 HB ILE A 219 0.661 22.631 13.121 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.257 20.593 14.064 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.092 21.014 12.581 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.049 22.083 10.732 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.709 22.703 10.900 1.00 0.00 H new ATOM 0 HG23 ILE A 219 1.429 20.960 10.676 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -0.735 18.588 12.728 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.175 19.264 11.356 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.022 18.837 12.862 1.00 0.00 H new ATOM 473 N GLU A 220 3.416 23.505 13.949 1.00 0.00 N ATOM 474 CA GLU A 220 4.315 24.662 14.093 1.00 0.00 C ATOM 475 C GLU A 220 4.550 25.586 12.888 1.00 0.00 C ATOM 476 O GLU A 220 4.993 26.712 13.103 1.00 0.00 O ATOM 477 CB GLU A 220 5.640 24.254 14.766 1.00 0.00 C ATOM 478 CG GLU A 220 6.533 23.351 13.900 1.00 0.00 C ATOM 479 CD GLU A 220 7.973 23.322 14.413 1.00 0.00 C ATOM 480 OE1 GLU A 220 8.201 22.649 15.443 1.00 0.00 O ATOM 481 OE2 GLU A 220 8.822 23.975 13.766 1.00 0.00 O ATOM 0 H GLU A 220 2.729 23.513 14.703 1.00 0.00 H new ATOM 0 HA GLU A 220 3.730 25.315 14.741 1.00 0.00 H new ATOM 0 HB2 GLU A 220 6.196 25.155 15.025 1.00 0.00 H new ATOM 0 HB3 GLU A 220 5.417 23.738 15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 220 6.129 22.339 13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 220 6.521 23.707 12.870 1.00 0.00 H new ATOM 488 N TRP A 221 4.224 25.172 11.662 1.00 0.00 N ATOM 489 CA TRP A 221 4.369 25.938 10.442 1.00 0.00 C ATOM 490 C TRP A 221 3.192 25.684 9.511 1.00 0.00 C ATOM 491 O TRP A 221 2.588 24.614 9.525 1.00 0.00 O ATOM 492 CB TRP A 221 5.644 25.491 9.742 1.00 0.00 C ATOM 493 CG TRP A 221 6.899 26.123 10.224 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.896 25.494 10.877 1.00 0.00 C ATOM 495 CD2 TRP A 221 7.326 27.507 10.063 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.927 26.376 11.098 1.00 0.00 N ATOM 497 CE2 TRP A 221 8.651 27.622 10.571 1.00 0.00 C ATOM 498 CE3 TRP A 221 6.742 28.666 9.504 1.00 0.00 C ATOM 499 CZ2 TRP A 221 9.381 28.813 10.469 1.00 0.00 C ATOM 500 CZ3 TRP A 221 7.452 29.879 9.447 1.00 0.00 C ATOM 501 CH2 TRP A 221 8.776 29.951 9.912 1.00 0.00 C ATOM 0 H TRP A 221 3.833 24.245 11.495 1.00 0.00 H new ATOM 0 HA TRP A 221 4.407 26.999 10.688 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.737 24.411 9.852 1.00 0.00 H new ATOM 0 HB3 TRP A 221 5.542 25.695 8.676 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.886 24.457 11.180 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.789 26.139 11.590 1.00 0.00 H new ATOM 0 HE3 TRP A 221 5.736 28.620 9.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 10.403 28.856 10.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.976 30.761 9.043 1.00 0.00 H new ATOM 0 HH2 TRP A 221 9.326 30.878 9.841 1.00 0.00 H new ATOM 512 N PHE A 222 2.887 26.694 8.692 1.00 0.00 N ATOM 513 CA PHE A 222 1.716 26.749 7.833 1.00 0.00 C ATOM 514 C PHE A 222 1.990 27.642 6.628 1.00 0.00 C ATOM 515 O PHE A 222 2.799 28.571 6.687 1.00 0.00 O ATOM 516 CB PHE A 222 0.509 27.318 8.600 1.00 0.00 C ATOM 517 CG PHE A 222 0.116 26.534 9.837 1.00 0.00 C ATOM 518 CD1 PHE A 222 0.764 26.787 11.063 1.00 0.00 C ATOM 519 CD2 PHE A 222 -0.854 25.518 9.755 1.00 0.00 C ATOM 520 CE1 PHE A 222 0.474 26.004 12.190 1.00 0.00 C ATOM 521 CE2 PHE A 222 -1.175 24.762 10.893 1.00 0.00 C ATOM 522 CZ PHE A 222 -0.515 25.009 12.108 1.00 0.00 C ATOM 0 H PHE A 222 3.475 27.524 8.611 1.00 0.00 H new ATOM 0 HA PHE A 222 1.493 25.734 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 222 0.733 28.344 8.893 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -0.346 27.359 7.925 1.00 0.00 H new ATOM 0 HD1 PHE A 222 1.486 27.587 11.135 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -1.351 25.320 8.817 1.00 0.00 H new ATOM 0 HE1 PHE A 222 1.008 26.165 13.115 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -1.929 23.991 10.835 1.00 0.00 H new ATOM 0 HZ PHE A 222 -0.769 24.431 12.984 1.00 0.00 H new ATOM 532 N HIS A 223 1.258 27.384 5.541 1.00 0.00 N ATOM 533 CA HIS A 223 1.243 28.276 4.393 1.00 0.00 C ATOM 534 C HIS A 223 0.360 29.473 4.724 1.00 0.00 C ATOM 535 O HIS A 223 -0.645 29.352 5.429 1.00 0.00 O ATOM 536 CB HIS A 223 0.724 27.571 3.121 1.00 0.00 C ATOM 537 CG HIS A 223 1.453 26.329 2.653 1.00 0.00 C ATOM 538 ND1 HIS A 223 1.244 25.703 1.421 1.00 0.00 N ATOM 539 CD2 HIS A 223 2.474 25.687 3.286 1.00 0.00 C ATOM 540 CE1 HIS A 223 2.216 24.788 1.298 1.00 0.00 C ATOM 541 NE2 HIS A 223 2.953 24.735 2.420 1.00 0.00 N ATOM 0 H HIS A 223 0.667 26.559 5.438 1.00 0.00 H new ATOM 0 HA HIS A 223 2.264 28.597 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -0.319 27.303 3.289 1.00 0.00 H new ATOM 0 HB3 HIS A 223 0.740 28.295 2.307 1.00 0.00 H new ATOM 0 HD2 HIS A 223 2.839 25.889 4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 223 2.383 24.180 0.421 1.00 0.00 H new ATOM 0 HE2 HIS A 223 3.731 24.100 2.597 1.00 0.00 H new ATOM 549 N PHE A 224 0.731 30.623 4.161 1.00 0.00 N ATOM 550 CA PHE A 224 -0.133 31.800 4.151 1.00 0.00 C ATOM 551 C PHE A 224 -1.482 31.448 3.541 1.00 0.00 C ATOM 552 O PHE A 224 -2.505 31.674 4.171 1.00 0.00 O ATOM 553 CB PHE A 224 0.544 32.946 3.388 1.00 0.00 C ATOM 554 CG PHE A 224 1.669 33.614 4.149 1.00 0.00 C ATOM 555 CD1 PHE A 224 1.479 34.118 5.449 1.00 0.00 C ATOM 556 CD2 PHE A 224 2.926 33.726 3.542 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.563 34.670 6.152 1.00 0.00 C ATOM 558 CE2 PHE A 224 4.016 34.254 4.247 1.00 0.00 C ATOM 559 CZ PHE A 224 3.839 34.689 5.564 1.00 0.00 C ATOM 0 H PHE A 224 1.632 30.763 3.703 1.00 0.00 H new ATOM 0 HA PHE A 224 -0.301 32.134 5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 224 0.935 32.560 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -0.207 33.696 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.501 34.081 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 224 3.057 33.402 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.416 35.078 7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 224 4.986 34.324 3.777 1.00 0.00 H new ATOM 0 HZ PHE A 224 4.687 35.041 6.132 1.00 0.00 H new ATOM 569 N ALA A 225 -1.485 30.805 2.375 1.00 0.00 N ATOM 570 CA ALA A 225 -2.697 30.418 1.679 1.00 0.00 C ATOM 571 C ALA A 225 -3.492 29.312 2.392 1.00 0.00 C ATOM 572 O ALA A 225 -4.672 29.150 2.080 1.00 0.00 O ATOM 573 CB ALA A 225 -2.338 29.997 0.250 1.00 0.00 C ATOM 0 H ALA A 225 -0.631 30.537 1.886 1.00 0.00 H new ATOM 0 HA ALA A 225 -3.357 31.286 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -3.244 29.704 -0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -1.867 30.833 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -1.647 29.154 0.282 1.00 0.00 H new ATOM 579 N CYS A 226 -2.903 28.577 3.355 1.00 0.00 N ATOM 580 CA CYS A 226 -3.611 27.594 4.148 1.00 0.00 C ATOM 581 C CYS A 226 -4.484 28.233 5.240 1.00 0.00 C ATOM 582 O CYS A 226 -5.414 27.575 5.700 1.00 0.00 O ATOM 583 CB CYS A 226 -2.560 26.658 4.732 1.00 0.00 C ATOM 584 SG CYS A 226 -2.242 25.304 3.564 1.00 0.00 S ATOM 0 H CYS A 226 -1.915 28.661 3.594 1.00 0.00 H new ATOM 0 HA CYS A 226 -4.312 27.043 3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -1.639 27.206 4.930 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -2.904 26.257 5.686 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.447 24.164 4.155 1.00 0.00 H new ATOM 590 N VAL A 227 -4.235 29.505 5.602 1.00 0.00 N ATOM 591 CA VAL A 227 -5.112 30.325 6.444 1.00 0.00 C ATOM 592 C VAL A 227 -5.863 31.381 5.616 1.00 0.00 C ATOM 593 O VAL A 227 -6.834 31.969 6.088 1.00 0.00 O ATOM 594 CB VAL A 227 -4.313 30.931 7.622 1.00 0.00 C ATOM 595 CG1 VAL A 227 -3.427 32.126 7.239 1.00 0.00 C ATOM 596 CG2 VAL A 227 -5.229 31.335 8.788 1.00 0.00 C ATOM 0 H VAL A 227 -3.394 30.000 5.306 1.00 0.00 H new ATOM 0 HA VAL A 227 -5.882 29.686 6.876 1.00 0.00 H new ATOM 0 HB VAL A 227 -3.648 30.126 7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -2.903 32.489 8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -2.700 31.814 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.048 32.924 6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -4.628 31.756 9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -5.948 32.079 8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -5.762 30.457 9.153 1.00 0.00 H new ATOM 606 N GLY A 228 -5.405 31.598 4.379 1.00 0.00 N ATOM 607 CA GLY A 228 -5.952 32.552 3.423 1.00 0.00 C ATOM 608 C GLY A 228 -5.271 33.925 3.476 1.00 0.00 C ATOM 609 O GLY A 228 -5.882 34.904 3.050 1.00 0.00 O ATOM 0 H GLY A 228 -4.606 31.087 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -5.853 32.144 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -7.018 32.676 3.614 1.00 0.00 H new ATOM 613 N LEU A 229 -4.043 34.017 4.015 1.00 0.00 N ATOM 614 CA LEU A 229 -3.281 35.254 4.095 1.00 0.00 C ATOM 615 C LEU A 229 -2.707 35.645 2.729 1.00 0.00 C ATOM 616 O LEU A 229 -2.487 34.803 1.856 1.00 0.00 O ATOM 617 CB LEU A 229 -2.157 35.135 5.148 1.00 0.00 C ATOM 618 CG LEU A 229 -2.548 35.637 6.554 1.00 0.00 C ATOM 619 CD1 LEU A 229 -1.443 35.288 7.561 1.00 0.00 C ATOM 620 CD2 LEU A 229 -2.772 37.159 6.596 1.00 0.00 C ATOM 0 H LEU A 229 -3.553 33.215 4.411 1.00 0.00 H new ATOM 0 HA LEU A 229 -3.962 36.046 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -1.851 34.091 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -1.290 35.698 4.802 1.00 0.00 H new ATOM 0 HG LEU A 229 -3.485 35.143 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -1.727 35.646 8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -1.306 34.207 7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -0.510 35.763 7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.045 37.459 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -1.856 37.670 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -3.575 37.428 5.909 1.00 0.00 H new ATOM 632 N THR A 230 -2.416 36.945 2.603 1.00 0.00 N ATOM 633 CA THR A 230 -1.847 37.597 1.420 1.00 0.00 C ATOM 634 C THR A 230 -0.598 38.417 1.810 1.00 0.00 C ATOM 635 O THR A 230 0.150 38.857 0.938 1.00 0.00 O ATOM 636 CB THR A 230 -2.943 38.467 0.763 1.00 0.00 C ATOM 637 OG1 THR A 230 -4.085 37.680 0.482 1.00 0.00 O ATOM 638 CG2 THR A 230 -2.520 39.131 -0.553 1.00 0.00 C ATOM 0 H THR A 230 -2.580 37.604 3.364 1.00 0.00 H new ATOM 0 HA THR A 230 -1.517 36.854 0.694 1.00 0.00 H new ATOM 0 HB THR A 230 -3.147 39.255 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.774 38.240 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 230 -3.348 39.722 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 230 -1.663 39.781 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 230 -2.248 38.363 -1.277 1.00 0.00 H new ATOM 646 N THR A 231 -0.347 38.577 3.118 1.00 0.00 N ATOM 647 CA THR A 231 0.780 39.295 3.712 1.00 0.00 C ATOM 648 C THR A 231 1.280 38.529 4.949 1.00 0.00 C ATOM 649 O THR A 231 0.704 37.509 5.334 1.00 0.00 O ATOM 650 CB THR A 231 0.367 40.736 4.090 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.691 40.720 5.028 1.00 0.00 O ATOM 652 CG2 THR A 231 -0.050 41.583 2.882 1.00 0.00 C ATOM 0 H THR A 231 -0.965 38.183 3.828 1.00 0.00 H new ATOM 0 HA THR A 231 1.588 39.359 2.984 1.00 0.00 H new ATOM 0 HB THR A 231 1.254 41.197 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 231 -0.939 41.640 5.257 1.00 0.00 H new ATOM 0 HG21 THR A 231 -0.328 42.582 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 231 0.783 41.653 2.182 1.00 0.00 H new ATOM 0 HG23 THR A 231 -0.902 41.116 2.387 1.00 0.00 H new ATOM 660 N LYS A 232 2.343 39.043 5.585 1.00 0.00 N ATOM 661 CA LYS A 232 2.927 38.473 6.795 1.00 0.00 C ATOM 662 C LYS A 232 2.658 39.424 7.975 1.00 0.00 C ATOM 663 O LYS A 232 3.287 40.483 8.035 1.00 0.00 O ATOM 664 CB LYS A 232 4.425 38.208 6.574 1.00 0.00 C ATOM 665 CG LYS A 232 5.036 37.458 7.768 1.00 0.00 C ATOM 666 CD LYS A 232 6.486 37.047 7.484 1.00 0.00 C ATOM 667 CE LYS A 232 7.012 36.181 8.631 1.00 0.00 C ATOM 668 NZ LYS A 232 8.382 35.706 8.362 1.00 0.00 N ATOM 0 H LYS A 232 2.825 39.882 5.262 1.00 0.00 H new ATOM 0 HA LYS A 232 2.468 37.513 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 232 4.564 37.624 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 232 4.947 39.154 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 232 5.002 38.092 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 232 4.441 36.572 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 232 6.540 36.496 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 232 7.110 37.934 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 232 7.000 36.755 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 232 6.351 35.327 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 8.710 35.122 9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 8.388 35.138 7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 9.016 36.522 8.248 1.00 0.00 H new ATOM 682 N PRO A 233 1.746 39.078 8.908 1.00 0.00 N ATOM 683 CA PRO A 233 1.485 39.864 10.114 1.00 0.00 C ATOM 684 C PRO A 233 2.646 39.772 11.120 1.00 0.00 C ATOM 685 O PRO A 233 3.619 39.045 10.906 1.00 0.00 O ATOM 686 CB PRO A 233 0.170 39.310 10.678 1.00 0.00 C ATOM 687 CG PRO A 233 0.185 37.851 10.237 1.00 0.00 C ATOM 688 CD PRO A 233 0.874 37.910 8.876 1.00 0.00 C ATOM 0 HA PRO A 233 1.401 40.928 9.895 1.00 0.00 H new ATOM 0 HB2 PRO A 233 0.128 39.402 11.763 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -0.694 39.842 10.279 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.733 37.223 10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -0.822 37.442 10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.448 37.002 8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.142 37.994 8.073 1.00 0.00 H new ATOM 696 N ARG A 234 2.534 40.518 12.228 1.00 0.00 N ATOM 697 CA ARG A 234 3.559 40.653 13.251 1.00 0.00 C ATOM 698 C ARG A 234 2.886 40.553 14.619 1.00 0.00 C ATOM 699 O ARG A 234 1.855 41.177 14.873 1.00 0.00 O ATOM 700 CB ARG A 234 4.286 42.001 13.092 1.00 0.00 C ATOM 701 CG ARG A 234 5.745 41.952 13.576 1.00 0.00 C ATOM 702 CD ARG A 234 6.696 41.269 12.580 1.00 0.00 C ATOM 703 NE ARG A 234 6.970 42.120 11.408 1.00 0.00 N ATOM 704 CZ ARG A 234 6.432 42.000 10.185 1.00 0.00 C ATOM 705 NH1 ARG A 234 5.571 41.029 9.872 1.00 0.00 N ATOM 706 NH2 ARG A 234 6.758 42.884 9.244 1.00 0.00 N ATOM 0 H ARG A 234 1.695 41.059 12.436 1.00 0.00 H new ATOM 0 HA ARG A 234 4.302 39.861 13.153 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.266 42.298 12.043 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.748 42.767 13.651 1.00 0.00 H new ATOM 0 HG2 ARG A 234 6.093 42.968 13.761 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.787 41.423 14.528 1.00 0.00 H new ATOM 0 HD2 ARG A 234 7.634 41.028 13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.260 40.326 12.250 1.00 0.00 H new ATOM 0 HE ARG A 234 7.638 42.879 11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 234 5.299 40.342 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 234 5.185 40.974 8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 234 7.409 43.640 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 234 6.357 42.805 8.309 1.00 0.00 H new ATOM 720 N GLY A 235 3.500 39.741 15.477 1.00 0.00 N ATOM 721 CA GLY A 235 3.008 39.384 16.802 1.00 0.00 C ATOM 722 C GLY A 235 2.501 37.940 16.841 1.00 0.00 C ATOM 723 O GLY A 235 2.807 37.135 15.959 1.00 0.00 O ATOM 0 H GLY A 235 4.391 39.296 15.257 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.806 39.511 17.534 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.203 40.061 17.087 1.00 0.00 H new ATOM 727 N LYS A 236 1.714 37.629 17.880 1.00 0.00 N ATOM 728 CA LYS A 236 1.019 36.364 18.050 1.00 0.00 C ATOM 729 C LYS A 236 0.044 36.167 16.891 1.00 0.00 C ATOM 730 O LYS A 236 -0.803 37.017 16.614 1.00 0.00 O ATOM 731 CB LYS A 236 0.258 36.324 19.388 1.00 0.00 C ATOM 732 CG LYS A 236 1.137 36.432 20.647 1.00 0.00 C ATOM 733 CD LYS A 236 1.353 37.864 21.151 1.00 0.00 C ATOM 734 CE LYS A 236 2.134 37.807 22.465 1.00 0.00 C ATOM 735 NZ LYS A 236 2.372 39.153 23.017 1.00 0.00 N ATOM 0 H LYS A 236 1.544 38.280 18.647 1.00 0.00 H new ATOM 0 HA LYS A 236 1.755 35.560 18.058 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.467 37.138 19.400 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -0.307 35.393 19.438 1.00 0.00 H new ATOM 0 HG2 LYS A 236 0.681 35.845 21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 236 2.108 35.984 20.436 1.00 0.00 H new ATOM 0 HD2 LYS A 236 1.901 38.447 20.411 1.00 0.00 H new ATOM 0 HD3 LYS A 236 0.394 38.360 21.302 1.00 0.00 H new ATOM 0 HE2 LYS A 236 1.583 37.209 23.190 1.00 0.00 H new ATOM 0 HE3 LYS A 236 3.089 37.308 22.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 2.904 39.074 23.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 2.920 39.716 22.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 1.461 39.620 23.198 1.00 0.00 H new ATOM 749 N TRP A 237 0.173 35.008 16.251 1.00 0.00 N ATOM 750 CA TRP A 237 -0.635 34.544 15.142 1.00 0.00 C ATOM 751 C TRP A 237 -1.079 33.107 15.413 1.00 0.00 C ATOM 752 O TRP A 237 -0.376 32.320 16.050 1.00 0.00 O ATOM 753 CB TRP A 237 0.189 34.647 13.855 1.00 0.00 C ATOM 754 CG TRP A 237 -0.444 34.068 12.633 1.00 0.00 C ATOM 755 CD1 TRP A 237 -1.202 34.715 11.730 1.00 0.00 C ATOM 756 CD2 TRP A 237 -0.406 32.687 12.188 1.00 0.00 C ATOM 757 NE1 TRP A 237 -1.640 33.830 10.761 1.00 0.00 N ATOM 758 CE2 TRP A 237 -1.178 32.551 11.002 1.00 0.00 C ATOM 759 CE3 TRP A 237 0.198 31.535 12.712 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -1.328 31.311 10.359 1.00 0.00 C ATOM 761 CZ3 TRP A 237 0.036 30.284 12.094 1.00 0.00 C ATOM 762 CH2 TRP A 237 -0.712 30.175 10.909 1.00 0.00 C ATOM 0 H TRP A 237 0.890 34.331 16.514 1.00 0.00 H new ATOM 0 HA TRP A 237 -1.529 35.157 15.028 1.00 0.00 H new ATOM 0 HB2 TRP A 237 0.405 35.699 13.667 1.00 0.00 H new ATOM 0 HB3 TRP A 237 1.145 34.150 14.017 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -1.434 35.769 11.757 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -2.229 34.089 9.970 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.798 31.611 13.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -1.910 31.232 9.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.487 29.405 12.530 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -0.813 29.217 10.421 1.00 0.00 H new ATOM 773 N PHE A 238 -2.261 32.786 14.886 1.00 0.00 N ATOM 774 CA PHE A 238 -2.958 31.529 15.100 1.00 0.00 C ATOM 775 C PHE A 238 -3.360 30.922 13.762 1.00 0.00 C ATOM 776 O PHE A 238 -3.955 31.587 12.913 1.00 0.00 O ATOM 777 CB PHE A 238 -4.170 31.744 16.024 1.00 0.00 C ATOM 778 CG PHE A 238 -3.818 31.935 17.493 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.204 33.122 17.944 1.00 0.00 C ATOM 780 CD2 PHE A 238 -4.091 30.910 18.420 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.803 33.249 19.286 1.00 0.00 C ATOM 782 CE2 PHE A 238 -3.713 31.047 19.766 1.00 0.00 C ATOM 783 CZ PHE A 238 -3.041 32.204 20.194 1.00 0.00 C ATOM 0 H PHE A 238 -2.774 33.422 14.276 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.292 30.823 15.596 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.723 32.618 15.679 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.838 30.887 15.932 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.041 33.938 17.255 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.595 30.012 18.093 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.311 34.151 19.619 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -3.939 30.262 20.472 1.00 0.00 H new ATOM 0 HZ PHE A 238 -2.708 32.290 21.218 1.00 0.00 H new ATOM 793 N CYS A 239 -3.026 29.633 13.606 1.00 0.00 N ATOM 794 CA CYS A 239 -3.399 28.829 12.453 1.00 0.00 C ATOM 795 C CYS A 239 -4.925 28.633 12.374 1.00 0.00 C ATOM 796 O CYS A 239 -5.625 28.933 13.347 1.00 0.00 O ATOM 797 CB CYS A 239 -2.575 27.535 12.461 1.00 0.00 C ATOM 798 SG CYS A 239 -3.416 26.149 13.271 1.00 0.00 S ATOM 0 H CYS A 239 -2.479 29.118 14.296 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.155 29.348 11.526 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.340 27.257 11.434 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -1.627 27.720 12.966 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.243 26.228 14.557 1.00 0.00 H new ATOM 804 N PRO A 240 -5.478 28.138 11.248 1.00 0.00 N ATOM 805 CA PRO A 240 -6.923 28.062 11.096 1.00 0.00 C ATOM 806 C PRO A 240 -7.547 27.042 12.053 1.00 0.00 C ATOM 807 O PRO A 240 -8.590 27.325 12.629 1.00 0.00 O ATOM 808 CB PRO A 240 -7.177 27.712 9.627 1.00 0.00 C ATOM 809 CG PRO A 240 -5.898 26.989 9.212 1.00 0.00 C ATOM 810 CD PRO A 240 -4.812 27.668 10.042 1.00 0.00 C ATOM 0 HA PRO A 240 -7.395 29.010 11.355 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.054 27.076 9.511 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -7.348 28.604 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -5.955 25.921 9.424 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -5.709 27.092 8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.010 26.971 10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.361 28.496 9.495 1.00 0.00 H new ATOM 818 N ARG A 241 -6.873 25.908 12.292 1.00 0.00 N ATOM 819 CA ARG A 241 -7.283 24.871 13.236 1.00 0.00 C ATOM 820 C ARG A 241 -7.097 25.286 14.707 1.00 0.00 C ATOM 821 O ARG A 241 -7.379 24.489 15.600 1.00 0.00 O ATOM 822 CB ARG A 241 -6.538 23.561 12.923 1.00 0.00 C ATOM 823 CG ARG A 241 -6.964 22.982 11.562 1.00 0.00 C ATOM 824 CD ARG A 241 -6.334 21.613 11.262 1.00 0.00 C ATOM 825 NE ARG A 241 -6.647 20.592 12.278 1.00 0.00 N ATOM 826 CZ ARG A 241 -7.831 19.989 12.475 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.906 20.267 11.735 1.00 0.00 N ATOM 828 NH2 ARG A 241 -7.944 19.081 13.445 1.00 0.00 N ATOM 0 H ARG A 241 -5.999 25.685 11.815 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.354 24.716 13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -5.463 23.744 12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -6.737 22.832 13.708 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.050 22.888 11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.687 23.682 10.774 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.682 21.266 10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -5.252 21.726 11.192 1.00 0.00 H new ATOM 0 HE ARG A 241 -5.885 20.314 12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -8.846 20.959 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -9.788 19.787 11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -7.137 18.852 14.026 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -8.837 18.615 13.606 1.00 0.00 H new ATOM 842 N CYS A 242 -6.635 26.520 14.962 1.00 0.00 N ATOM 843 CA CYS A 242 -6.305 27.039 16.276 1.00 0.00 C ATOM 844 C CYS A 242 -7.113 28.277 16.688 1.00 0.00 C ATOM 845 O CYS A 242 -7.096 28.613 17.873 1.00 0.00 O ATOM 846 CB CYS A 242 -4.812 27.377 16.290 1.00 0.00 C ATOM 847 SG CYS A 242 -3.794 25.917 16.654 1.00 0.00 S ATOM 0 H CYS A 242 -6.479 27.203 14.220 1.00 0.00 H new ATOM 0 HA CYS A 242 -6.560 26.266 17.001 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.524 27.790 15.323 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -4.621 28.149 17.036 1.00 0.00 H new ATOM 0 HG CYS A 242 -2.997 26.180 17.646 1.00 0.00 H new ATOM 853 N SER A 243 -7.819 28.945 15.762 1.00 0.00 N ATOM 854 CA SER A 243 -8.670 30.090 16.102 1.00 0.00 C ATOM 855 C SER A 243 -9.850 30.269 15.141 1.00 0.00 C ATOM 856 O SER A 243 -10.950 30.600 15.588 1.00 0.00 O ATOM 857 CB SER A 243 -7.804 31.358 16.127 1.00 0.00 C ATOM 858 OG SER A 243 -8.556 32.482 16.531 1.00 0.00 O ATOM 0 H SER A 243 -7.815 28.709 14.770 1.00 0.00 H new ATOM 0 HA SER A 243 -9.106 29.902 17.083 1.00 0.00 H new ATOM 0 HB2 SER A 243 -6.965 31.215 16.808 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.385 31.535 15.137 1.00 0.00 H new ATOM 0 HG SER A 243 -7.980 33.275 16.540 1.00 0.00 H new ATOM 864 N GLN A 244 -9.634 30.036 13.840 1.00 0.00 N ATOM 865 CA GLN A 244 -10.665 30.196 12.810 1.00 0.00 C ATOM 866 C GLN A 244 -11.711 29.068 12.855 1.00 0.00 C ATOM 867 O GLN A 244 -12.866 29.295 12.491 1.00 0.00 O ATOM 868 CB GLN A 244 -9.971 30.291 11.439 1.00 0.00 C ATOM 869 CG GLN A 244 -10.900 30.604 10.255 1.00 0.00 C ATOM 870 CD GLN A 244 -11.184 29.364 9.405 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.373 28.985 8.566 1.00 0.00 O ATOM 872 NE2 GLN A 244 -12.329 28.716 9.613 1.00 0.00 N ATOM 0 H GLN A 244 -8.734 29.730 13.472 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.223 31.114 12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.203 31.063 11.491 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -9.462 29.348 11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.840 31.010 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -10.446 31.374 9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -12.985 29.053 10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -12.550 27.882 9.068 1.00 0.00 H new ATOM 881 N GLU A 245 -11.326 27.873 13.328 1.00 0.00 N ATOM 882 CA GLU A 245 -12.156 26.668 13.338 1.00 0.00 C ATOM 883 C GLU A 245 -13.189 26.662 14.484 1.00 0.00 C ATOM 884 O GLU A 245 -13.946 25.702 14.610 1.00 0.00 O ATOM 885 CB GLU A 245 -11.203 25.456 13.360 1.00 0.00 C ATOM 886 CG GLU A 245 -11.860 24.095 13.094 1.00 0.00 C ATOM 887 CD GLU A 245 -10.808 23.050 12.714 1.00 0.00 C ATOM 888 OE1 GLU A 245 -10.084 22.600 13.628 1.00 0.00 O ATOM 889 OE2 GLU A 245 -10.729 22.729 11.507 1.00 0.00 O ATOM 0 H GLU A 245 -10.399 27.718 13.725 1.00 0.00 H new ATOM 0 HA GLU A 245 -12.773 26.628 12.440 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -10.423 25.615 12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -10.712 25.419 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -12.401 23.767 13.982 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -12.592 24.190 12.292 1.00 0.00 H new