USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=20 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 180:sc= -1.29 USER MOD Set 1.2: A 214 ASN :FLIP amide:sc= 0.921 F(o=-0.35,f=1.4) USER MOD Set 1.3: A 239 CYS SG : rot -65:sc= 0.419 USER MOD Set 1.4: A 242 CYS SG : rot 89:sc= 1.39 USER MOD Set 2.1: A 199 CYS SG : rot 2:sc= -1.86! USER MOD Set 2.2: A 203 GLN : amide:sc= 0.314 K(o=-2,f=-3.3!) USER MOD Set 2.3: A 223 HIS :FLIP no HE2:sc= -0.449 F(o=-2.6,f=-2) USER MOD Set 3.1: A 201 CYS SG : rot 180:sc= 0.0247 USER MOD Set 3.2: A 226 CYS SG : rot 92:sc= -0.115 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HE2:sc= -0.0285 X(o=-0.028,f=-0.24) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 206 TYR OH : rot -15:sc= 0 USER MOD Single : A 209 MET CE :methyl -144:sc= -0.0868 (180deg=-1.07) USER MOD Single : A 217 CYS SG : rot -160:sc= 0.563 USER MOD Single : A 218 SER OG : rot -30:sc= 0.175 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+ -128:sc= -0.041 (180deg=-1.13) 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= -0.175 X(o=-0.18,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 8.319 15.583 6.476 1.00 0.00 N ATOM 135 CA PRO A 196 7.824 16.559 7.441 1.00 0.00 C ATOM 136 C PRO A 196 6.592 17.315 6.922 1.00 0.00 C ATOM 137 O PRO A 196 6.288 17.312 5.728 1.00 0.00 O ATOM 138 CB PRO A 196 9.003 17.510 7.676 1.00 0.00 C ATOM 139 CG PRO A 196 9.712 17.521 6.324 1.00 0.00 C ATOM 140 CD PRO A 196 9.521 16.088 5.825 1.00 0.00 C ATOM 0 HA PRO A 196 7.491 16.077 8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 196 8.667 18.506 7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 196 9.657 17.153 8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 196 9.271 18.248 5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 196 10.767 17.777 6.423 1.00 0.00 H new ATOM 0 HD2 PRO A 196 9.414 16.065 4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 196 10.385 15.472 6.073 1.00 0.00 H new ATOM 148 N THR A 197 5.915 18.008 7.845 1.00 0.00 N ATOM 149 CA THR A 197 4.787 18.895 7.594 1.00 0.00 C ATOM 150 C THR A 197 4.909 20.112 8.523 1.00 0.00 C ATOM 151 O THR A 197 5.727 20.124 9.447 1.00 0.00 O ATOM 152 CB THR A 197 3.443 18.169 7.816 1.00 0.00 C ATOM 153 OG1 THR A 197 3.267 17.833 9.178 1.00 0.00 O ATOM 154 CG2 THR A 197 3.278 16.896 6.978 1.00 0.00 C ATOM 0 H THR A 197 6.156 17.959 8.835 1.00 0.00 H new ATOM 0 HA THR A 197 4.806 19.219 6.553 1.00 0.00 H new ATOM 0 HB THR A 197 2.683 18.880 7.491 1.00 0.00 H new ATOM 0 HG1 THR A 197 2.408 17.376 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 197 2.309 16.444 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 197 3.337 17.147 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 197 4.070 16.190 7.228 1.00 0.00 H new ATOM 162 N TYR A 198 4.073 21.127 8.279 1.00 0.00 N ATOM 163 CA TYR A 198 4.093 22.383 9.033 1.00 0.00 C ATOM 164 C TYR A 198 2.687 22.891 9.376 1.00 0.00 C ATOM 165 O TYR A 198 2.398 23.104 10.546 1.00 0.00 O ATOM 166 CB TYR A 198 4.884 23.430 8.227 1.00 0.00 C ATOM 167 CG TYR A 198 6.395 23.270 8.236 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.092 23.163 9.456 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.112 23.282 7.023 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.494 23.062 9.470 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.515 23.185 7.028 1.00 0.00 C ATOM 172 CZ TYR A 198 9.212 23.075 8.253 1.00 0.00 C ATOM 173 OH TYR A 198 10.573 22.987 8.262 1.00 0.00 O ATOM 0 H TYR A 198 3.361 21.099 7.549 1.00 0.00 H new ATOM 0 HA TYR A 198 4.583 22.202 9.990 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.541 23.400 7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.640 24.419 8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.545 23.159 10.387 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.582 23.366 6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.021 22.975 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.060 23.195 6.096 1.00 0.00 H new ATOM 0 HH TYR A 198 10.908 23.009 7.341 1.00 0.00 H new ATOM 183 N CYS A 199 1.823 23.063 8.374 1.00 0.00 N ATOM 184 CA CYS A 199 0.437 23.494 8.438 1.00 0.00 C ATOM 185 C CYS A 199 -0.491 22.481 9.114 1.00 0.00 C ATOM 186 O CYS A 199 -0.162 21.299 9.223 1.00 0.00 O ATOM 187 CB CYS A 199 -0.045 23.704 6.995 1.00 0.00 C ATOM 188 SG CYS A 199 0.472 22.345 5.919 1.00 0.00 S ATOM 0 H CYS A 199 2.108 22.886 7.411 1.00 0.00 H new ATOM 0 HA CYS A 199 0.399 24.403 9.038 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -1.132 23.787 6.982 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.351 24.644 6.611 1.00 0.00 H new ATOM 0 HG CYS A 199 1.112 21.456 6.619 1.00 0.00 H new ATOM 193 N LEU A 200 -1.705 22.941 9.468 1.00 0.00 N ATOM 194 CA LEU A 200 -2.807 22.055 9.855 1.00 0.00 C ATOM 195 C LEU A 200 -3.379 21.296 8.642 1.00 0.00 C ATOM 196 O LEU A 200 -4.255 20.450 8.810 1.00 0.00 O ATOM 197 CB LEU A 200 -3.888 22.781 10.680 1.00 0.00 C ATOM 198 CG LEU A 200 -4.606 23.946 9.979 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.569 23.525 8.855 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.428 24.759 10.991 1.00 0.00 C ATOM 0 H LEU A 200 -1.944 23.932 9.492 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.392 21.300 10.523 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.637 22.049 10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.426 23.161 11.591 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.800 24.529 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.029 24.412 8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.016 22.987 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.345 22.878 9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.929 25.579 10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.173 24.114 11.457 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.766 25.162 11.758 1.00 0.00 H new ATOM 212 N CYS A 201 -2.891 21.599 7.426 1.00 0.00 N ATOM 213 CA CYS A 201 -3.234 20.904 6.196 1.00 0.00 C ATOM 214 C CYS A 201 -2.445 19.592 6.056 1.00 0.00 C ATOM 215 O CYS A 201 -2.931 18.655 5.426 1.00 0.00 O ATOM 216 CB CYS A 201 -2.925 21.846 5.035 1.00 0.00 C ATOM 217 SG CYS A 201 -3.943 23.348 5.077 1.00 0.00 S ATOM 0 H CYS A 201 -2.227 22.360 7.280 1.00 0.00 H new ATOM 0 HA CYS A 201 -4.290 20.636 6.202 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.871 22.123 5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -3.090 21.324 4.093 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.635 24.109 4.069 1.00 0.00 H new ATOM 223 N HIS A 202 -1.266 19.526 6.692 1.00 0.00 N ATOM 224 CA HIS A 202 -0.439 18.337 6.885 1.00 0.00 C ATOM 225 C HIS A 202 0.226 17.863 5.590 1.00 0.00 C ATOM 226 O HIS A 202 0.153 16.693 5.214 1.00 0.00 O ATOM 227 CB HIS A 202 -1.138 17.243 7.723 1.00 0.00 C ATOM 228 CG HIS A 202 -0.955 17.434 9.208 1.00 0.00 C ATOM 229 ND1 HIS A 202 -0.143 16.683 10.028 1.00 0.00 N ATOM 230 CD2 HIS A 202 -1.546 18.384 9.994 1.00 0.00 C ATOM 231 CE1 HIS A 202 -0.248 17.178 11.274 1.00 0.00 C ATOM 232 NE2 HIS A 202 -1.094 18.221 11.306 1.00 0.00 N ATOM 0 H HIS A 202 -0.843 20.355 7.109 1.00 0.00 H new ATOM 0 HA HIS A 202 0.402 18.631 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -2.203 17.240 7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 202 -0.746 16.267 7.436 1.00 0.00 H new ATOM 0 HD1 HIS A 202 0.435 15.893 9.742 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -2.245 19.135 9.657 1.00 0.00 H new ATOM 0 HE1 HIS A 202 0.277 16.789 12.134 1.00 0.00 H new ATOM 240 N GLN A 203 0.905 18.805 4.925 1.00 0.00 N ATOM 241 CA GLN A 203 1.825 18.526 3.834 1.00 0.00 C ATOM 242 C GLN A 203 3.094 19.386 3.975 1.00 0.00 C ATOM 243 O GLN A 203 3.170 20.260 4.844 1.00 0.00 O ATOM 244 CB GLN A 203 1.102 18.616 2.475 1.00 0.00 C ATOM 245 CG GLN A 203 1.082 19.985 1.786 1.00 0.00 C ATOM 246 CD GLN A 203 0.567 21.134 2.640 1.00 0.00 C ATOM 247 OE1 GLN A 203 -0.575 21.132 3.087 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.414 22.137 2.853 1.00 0.00 N ATOM 0 H GLN A 203 0.824 19.799 5.140 1.00 0.00 H new ATOM 0 HA GLN A 203 2.178 17.496 3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.568 17.902 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.071 18.294 2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.094 20.223 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.464 19.914 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.356 22.100 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.122 22.943 3.406 1.00 0.00 H new ATOM 257 N VAL A 204 4.100 19.100 3.138 1.00 0.00 N ATOM 258 CA VAL A 204 5.439 19.703 3.181 1.00 0.00 C ATOM 259 C VAL A 204 5.399 21.221 2.901 1.00 0.00 C ATOM 260 O VAL A 204 4.351 21.773 2.566 1.00 0.00 O ATOM 261 CB VAL A 204 6.417 18.978 2.208 1.00 0.00 C ATOM 262 CG1 VAL A 204 7.822 18.852 2.827 1.00 0.00 C ATOM 263 CG2 VAL A 204 5.983 17.561 1.790 1.00 0.00 C ATOM 0 H VAL A 204 4.000 18.418 2.386 1.00 0.00 H new ATOM 0 HA VAL A 204 5.815 19.572 4.196 1.00 0.00 H new ATOM 0 HB VAL A 204 6.414 19.610 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 204 8.484 18.342 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 204 8.216 19.846 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 204 7.762 18.279 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 204 6.725 17.138 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 204 5.898 16.931 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 204 5.018 17.610 1.285 1.00 0.00 H new ATOM 273 N SER A 205 6.558 21.882 3.039 1.00 0.00 N ATOM 274 CA SER A 205 6.771 23.328 2.955 1.00 0.00 C ATOM 275 C SER A 205 6.122 24.022 1.750 1.00 0.00 C ATOM 276 O SER A 205 5.893 23.423 0.699 1.00 0.00 O ATOM 277 CB SER A 205 8.279 23.615 2.990 1.00 0.00 C ATOM 278 OG SER A 205 8.941 23.038 1.882 1.00 0.00 O ATOM 0 H SER A 205 7.428 21.383 3.225 1.00 0.00 H new ATOM 0 HA SER A 205 6.264 23.755 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 205 8.446 24.692 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 205 8.704 23.223 3.914 1.00 0.00 H new ATOM 0 HG SER A 205 9.899 23.240 1.932 1.00 0.00 H new ATOM 284 N TYR A 206 5.863 25.322 1.933 1.00 0.00 N ATOM 285 CA TYR A 206 5.073 26.171 1.048 1.00 0.00 C ATOM 286 C TYR A 206 5.640 27.597 1.029 1.00 0.00 C ATOM 287 O TYR A 206 6.392 27.994 1.921 1.00 0.00 O ATOM 288 CB TYR A 206 3.598 26.136 1.493 1.00 0.00 C ATOM 289 CG TYR A 206 3.362 26.118 2.997 1.00 0.00 C ATOM 290 CD1 TYR A 206 3.275 27.315 3.729 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.251 24.886 3.668 1.00 0.00 C ATOM 292 CE1 TYR A 206 3.086 27.280 5.124 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.056 24.840 5.058 1.00 0.00 C ATOM 294 CZ TYR A 206 2.970 26.041 5.792 1.00 0.00 C ATOM 295 OH TYR A 206 2.794 26.007 7.141 1.00 0.00 O ATOM 0 H TYR A 206 6.218 25.830 2.743 1.00 0.00 H new ATOM 0 HA TYR A 206 5.126 25.796 0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.091 27.005 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.128 25.253 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 206 3.353 28.264 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.317 23.965 3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 206 3.030 28.202 5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.972 23.889 5.563 1.00 0.00 H new ATOM 0 HH TYR A 206 3.007 26.885 7.521 1.00 0.00 H new ATOM 305 N GLY A 207 5.281 28.350 -0.020 1.00 0.00 N ATOM 306 CA GLY A 207 5.873 29.643 -0.356 1.00 0.00 C ATOM 307 C GLY A 207 5.720 30.718 0.722 1.00 0.00 C ATOM 308 O GLY A 207 6.667 31.469 0.953 1.00 0.00 O ATOM 0 H GLY A 207 4.551 28.065 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.934 29.499 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.419 30.006 -1.278 1.00 0.00 H new ATOM 312 N GLU A 208 4.561 30.773 1.394 1.00 0.00 N ATOM 313 CA GLU A 208 4.208 31.836 2.319 1.00 0.00 C ATOM 314 C GLU A 208 3.676 31.258 3.629 1.00 0.00 C ATOM 315 O GLU A 208 2.697 30.512 3.643 1.00 0.00 O ATOM 316 CB GLU A 208 3.234 32.785 1.615 1.00 0.00 C ATOM 317 CG GLU A 208 1.757 32.362 1.478 1.00 0.00 C ATOM 318 CD GLU A 208 1.515 31.023 0.769 1.00 0.00 C ATOM 319 OE1 GLU A 208 2.115 30.814 -0.308 1.00 0.00 O ATOM 320 OE2 GLU A 208 0.721 30.226 1.317 1.00 0.00 O ATOM 0 H GLU A 208 3.836 30.062 1.301 1.00 0.00 H new ATOM 0 HA GLU A 208 5.086 32.417 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.257 33.737 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.619 32.970 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.319 32.310 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.223 33.142 0.935 1.00 0.00 H new ATOM 327 N MET A 209 4.343 31.601 4.738 1.00 0.00 N ATOM 328 CA MET A 209 4.113 30.935 6.018 1.00 0.00 C ATOM 329 C MET A 209 4.077 31.911 7.193 1.00 0.00 C ATOM 330 O MET A 209 4.854 32.865 7.259 1.00 0.00 O ATOM 331 CB MET A 209 5.195 29.864 6.311 1.00 0.00 C ATOM 332 CG MET A 209 5.843 29.136 5.119 1.00 0.00 C ATOM 333 SD MET A 209 6.414 27.422 5.382 1.00 0.00 S ATOM 334 CE MET A 209 7.041 27.439 7.083 1.00 0.00 C ATOM 0 H MET A 209 5.047 32.338 4.770 1.00 0.00 H new ATOM 0 HA MET A 209 3.136 30.461 5.922 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.991 30.343 6.881 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.749 29.109 6.959 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.124 29.128 4.299 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.697 29.727 4.789 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.913 26.789 7.156 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.322 28.456 7.357 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.265 27.082 7.760 1.00 0.00 H new ATOM 344 N ILE A 210 3.214 31.583 8.160 1.00 0.00 N ATOM 345 CA ILE A 210 3.064 32.251 9.449 1.00 0.00 C ATOM 346 C ILE A 210 2.758 31.207 10.524 1.00 0.00 C ATOM 347 O ILE A 210 2.115 30.199 10.251 1.00 0.00 O ATOM 348 CB ILE A 210 1.974 33.331 9.345 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.941 34.196 10.619 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.586 32.755 8.984 1.00 0.00 C ATOM 351 CD1 ILE A 210 1.090 35.452 10.442 1.00 0.00 C ATOM 0 H ILE A 210 2.568 30.801 8.055 1.00 0.00 H new ATOM 0 HA ILE A 210 3.989 32.753 9.733 1.00 0.00 H new ATOM 0 HB ILE A 210 2.240 33.979 8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.547 33.606 11.447 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.958 34.483 10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.140 33.566 8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.642 32.248 8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.276 32.045 9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 210 1.097 36.030 11.366 1.00 0.00 H new ATOM 0 HD12 ILE A 210 1.499 36.057 9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 210 0.066 35.167 10.200 1.00 0.00 H new ATOM 363 N GLY A 211 3.218 31.457 11.750 1.00 0.00 N ATOM 364 CA GLY A 211 3.220 30.477 12.828 1.00 0.00 C ATOM 365 C GLY A 211 2.780 31.058 14.163 1.00 0.00 C ATOM 366 O GLY A 211 3.028 32.230 14.449 1.00 0.00 O ATOM 0 H GLY A 211 3.605 32.361 12.023 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.559 29.652 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.222 30.062 12.932 1.00 0.00 H new ATOM 370 N CYS A 212 2.092 30.223 14.959 1.00 0.00 N ATOM 371 CA CYS A 212 1.457 30.676 16.196 1.00 0.00 C ATOM 372 C CYS A 212 2.500 30.971 17.275 1.00 0.00 C ATOM 373 O CYS A 212 3.521 30.296 17.403 1.00 0.00 O ATOM 374 CB CYS A 212 0.371 29.729 16.739 1.00 0.00 C ATOM 375 SG CYS A 212 -0.712 30.633 17.897 1.00 0.00 S ATOM 0 H CYS A 212 1.964 29.230 14.763 1.00 0.00 H new ATOM 0 HA CYS A 212 0.940 31.597 15.929 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -0.218 29.325 15.915 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.834 28.882 17.245 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.628 29.830 18.351 1.00 0.00 H new ATOM 380 N ASP A 213 2.163 31.990 18.060 1.00 0.00 N ATOM 381 CA ASP A 213 2.968 32.567 19.133 1.00 0.00 C ATOM 382 C ASP A 213 2.963 31.739 20.432 1.00 0.00 C ATOM 383 O ASP A 213 3.737 32.036 21.343 1.00 0.00 O ATOM 384 CB ASP A 213 2.437 33.990 19.386 1.00 0.00 C ATOM 385 CG ASP A 213 3.288 34.795 20.369 1.00 0.00 C ATOM 386 OD1 ASP A 213 4.414 35.167 19.972 1.00 0.00 O ATOM 387 OD2 ASP A 213 2.784 35.063 21.483 1.00 0.00 O ATOM 0 H ASP A 213 1.266 32.464 17.958 1.00 0.00 H new ATOM 0 HA ASP A 213 4.011 32.577 18.817 1.00 0.00 H new ATOM 0 HB2 ASP A 213 2.389 34.525 18.437 1.00 0.00 H new ATOM 0 HB3 ASP A 213 1.418 33.926 19.768 1.00 0.00 H new ATOM 392 N ASN A 214 2.104 30.715 20.539 1.00 0.00 N ATOM 393 CA ASN A 214 1.866 30.027 21.806 1.00 0.00 C ATOM 394 C ASN A 214 3.014 29.066 22.158 1.00 0.00 C ATOM 395 O ASN A 214 3.536 28.400 21.263 1.00 0.00 O ATOM 396 CB ASN A 214 0.559 29.221 21.750 1.00 0.00 C ATOM 397 CG ASN A 214 -0.684 30.034 21.401 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.715 29.349 20.911 1.00 0.00 O flip ATOM 399 ND2 ASN A 214 -0.723 31.248 21.561 1.00 0.00 N flip ATOM 0 H ASN A 214 1.563 30.347 19.757 1.00 0.00 H new ATOM 0 HA ASN A 214 1.799 30.799 22.573 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.672 28.424 21.015 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.403 28.743 22.717 1.00 0.00 H new ATOM 0 HD21 ASN A 214 0.087 31.739 21.939 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -1.566 31.768 21.316 1.00 0.00 H new ATOM 406 N PRO A 215 3.339 28.902 23.458 1.00 0.00 N ATOM 407 CA PRO A 215 4.241 27.860 23.953 1.00 0.00 C ATOM 408 C PRO A 215 3.562 26.472 23.997 1.00 0.00 C ATOM 409 O PRO A 215 4.125 25.534 24.559 1.00 0.00 O ATOM 410 CB PRO A 215 4.641 28.340 25.353 1.00 0.00 C ATOM 411 CG PRO A 215 3.373 29.035 25.845 1.00 0.00 C ATOM 412 CD PRO A 215 2.830 29.688 24.576 1.00 0.00 C ATOM 0 HA PRO A 215 5.102 27.723 23.299 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.925 27.510 26.000 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.490 29.023 25.320 1.00 0.00 H new ATOM 0 HG2 PRO A 215 2.663 28.326 26.271 1.00 0.00 H new ATOM 0 HG3 PRO A 215 3.590 29.772 26.618 1.00 0.00 H new ATOM 0 HD2 PRO A 215 1.740 29.697 24.580 1.00 0.00 H new ATOM 0 HD3 PRO A 215 3.157 30.725 24.502 1.00 0.00 H new ATOM 420 N ASP A 216 2.352 26.352 23.426 1.00 0.00 N ATOM 421 CA ASP A 216 1.456 25.204 23.533 1.00 0.00 C ATOM 422 C ASP A 216 0.865 24.793 22.170 1.00 0.00 C ATOM 423 O ASP A 216 0.256 23.729 22.070 1.00 0.00 O ATOM 424 CB ASP A 216 0.360 25.571 24.549 1.00 0.00 C ATOM 425 CG ASP A 216 -0.602 24.420 24.849 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.147 23.446 25.488 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.779 24.541 24.443 1.00 0.00 O ATOM 0 H ASP A 216 1.958 27.095 22.849 1.00 0.00 H new ATOM 0 HA ASP A 216 2.011 24.331 23.875 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.830 25.893 25.478 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.208 26.420 24.168 1.00 0.00 H new ATOM 432 N CYS A 217 1.068 25.596 21.110 1.00 0.00 N ATOM 433 CA CYS A 217 0.689 25.244 19.753 1.00 0.00 C ATOM 434 C CYS A 217 1.477 24.013 19.300 1.00 0.00 C ATOM 435 O CYS A 217 2.707 23.991 19.328 1.00 0.00 O ATOM 436 CB CYS A 217 0.894 26.429 18.809 1.00 0.00 C ATOM 437 SG CYS A 217 0.236 26.051 17.163 1.00 0.00 S ATOM 0 H CYS A 217 1.505 26.514 21.185 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.372 24.996 19.729 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.398 27.312 19.211 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.956 26.665 18.737 1.00 0.00 H new ATOM 0 HG CYS A 217 0.771 26.850 16.288 1.00 0.00 H new ATOM 443 N SER A 218 0.720 23.004 18.872 1.00 0.00 N ATOM 444 CA SER A 218 1.195 21.664 18.524 1.00 0.00 C ATOM 445 C SER A 218 1.399 21.500 17.007 1.00 0.00 C ATOM 446 O SER A 218 1.794 20.428 16.548 1.00 0.00 O ATOM 447 CB SER A 218 0.192 20.648 19.089 1.00 0.00 C ATOM 448 OG SER A 218 0.698 19.331 19.050 1.00 0.00 O ATOM 0 H SER A 218 -0.288 23.102 18.753 1.00 0.00 H new ATOM 0 HA SER A 218 2.177 21.493 18.965 1.00 0.00 H new ATOM 0 HB2 SER A 218 -0.052 20.913 20.118 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.735 20.698 18.518 1.00 0.00 H new ATOM 0 HG SER A 218 1.318 19.241 18.296 1.00 0.00 H new ATOM 454 N ILE A 219 1.161 22.574 16.239 1.00 0.00 N ATOM 455 CA ILE A 219 1.306 22.639 14.788 1.00 0.00 C ATOM 456 C ILE A 219 2.388 23.672 14.420 1.00 0.00 C ATOM 457 O ILE A 219 3.102 23.464 13.442 1.00 0.00 O ATOM 458 CB ILE A 219 -0.059 22.984 14.136 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.250 22.113 14.604 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.029 22.957 12.601 1.00 0.00 C ATOM 461 CD1 ILE A 219 -1.147 20.626 14.251 1.00 0.00 C ATOM 0 H ILE A 219 0.848 23.459 16.637 1.00 0.00 H new ATOM 0 HA ILE A 219 1.622 21.669 14.405 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.270 23.995 14.483 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.346 22.208 15.686 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -2.165 22.512 14.167 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.944 23.203 12.176 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.766 23.687 12.266 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.328 21.962 12.271 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -2.028 20.102 14.621 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -1.086 20.512 13.169 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -0.254 20.204 14.711 1.00 0.00 H new ATOM 473 N GLU A 220 2.525 24.736 15.236 1.00 0.00 N ATOM 474 CA GLU A 220 3.431 25.893 15.155 1.00 0.00 C ATOM 475 C GLU A 220 3.524 26.678 13.831 1.00 0.00 C ATOM 476 O GLU A 220 4.049 27.788 13.865 1.00 0.00 O ATOM 477 CB GLU A 220 4.822 25.553 15.726 1.00 0.00 C ATOM 478 CG GLU A 220 5.637 24.572 14.868 1.00 0.00 C ATOM 479 CD GLU A 220 7.124 24.605 15.222 1.00 0.00 C ATOM 480 OE1 GLU A 220 7.464 24.101 16.315 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.899 25.135 14.396 1.00 0.00 O ATOM 0 H GLU A 220 1.933 24.811 16.063 1.00 0.00 H new ATOM 0 HA GLU A 220 2.924 26.621 15.788 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.390 26.476 15.840 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.699 25.129 16.723 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.253 23.562 15.008 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.509 24.819 13.814 1.00 0.00 H new ATOM 488 N TRP A 221 2.997 26.180 12.705 1.00 0.00 N ATOM 489 CA TRP A 221 3.041 26.820 11.401 1.00 0.00 C ATOM 490 C TRP A 221 1.742 26.621 10.618 1.00 0.00 C ATOM 491 O TRP A 221 0.987 25.687 10.865 1.00 0.00 O ATOM 492 CB TRP A 221 4.171 26.186 10.601 1.00 0.00 C ATOM 493 CG TRP A 221 5.538 26.715 10.832 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.566 26.025 11.366 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.075 28.016 10.460 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.711 26.780 11.298 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.480 27.996 10.686 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.527 29.190 9.902 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.305 29.057 10.295 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.341 30.293 9.587 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.733 30.220 9.758 1.00 0.00 C ATOM 0 H TRP A 221 2.511 25.284 12.686 1.00 0.00 H new ATOM 0 HA TRP A 221 3.190 27.889 11.553 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.180 25.117 10.816 1.00 0.00 H new ATOM 0 HB3 TRP A 221 3.939 26.296 9.542 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.499 25.031 11.783 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.618 26.480 11.655 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.465 29.243 9.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.377 28.981 10.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.893 31.201 9.212 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.359 31.054 9.478 1.00 0.00 H new ATOM 512 N PHE A 222 1.498 27.526 9.663 1.00 0.00 N ATOM 513 CA PHE A 222 0.280 27.628 8.861 1.00 0.00 C ATOM 514 C PHE A 222 0.583 28.402 7.574 1.00 0.00 C ATOM 515 O PHE A 222 1.483 29.240 7.553 1.00 0.00 O ATOM 516 CB PHE A 222 -0.797 28.400 9.657 1.00 0.00 C ATOM 517 CG PHE A 222 -1.076 27.834 11.036 1.00 0.00 C ATOM 518 CD1 PHE A 222 -1.980 26.766 11.188 1.00 0.00 C ATOM 519 CD2 PHE A 222 -0.309 28.266 12.137 1.00 0.00 C ATOM 520 CE1 PHE A 222 -2.090 26.116 12.429 1.00 0.00 C ATOM 521 CE2 PHE A 222 -0.394 27.592 13.366 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.295 26.525 13.510 1.00 0.00 C ATOM 0 H PHE A 222 2.182 28.242 9.419 1.00 0.00 H new ATOM 0 HA PHE A 222 -0.078 26.627 8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.482 29.438 9.760 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.724 28.403 9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 222 -2.587 26.447 10.354 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.346 29.118 12.035 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -2.788 25.300 12.551 1.00 0.00 H new ATOM 0 HE2 PHE A 222 0.230 27.892 14.195 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.377 26.016 14.459 1.00 0.00 H new ATOM 532 N HIS A 223 -0.181 28.149 6.502 1.00 0.00 N ATOM 533 CA HIS A 223 -0.170 29.030 5.335 1.00 0.00 C ATOM 534 C HIS A 223 -0.813 30.364 5.723 1.00 0.00 C ATOM 535 O HIS A 223 -1.653 30.417 6.625 1.00 0.00 O ATOM 536 CB HIS A 223 -0.953 28.429 4.154 1.00 0.00 C ATOM 537 CG HIS A 223 -0.523 27.063 3.678 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.156 26.828 2.518 1.00 0.00 N flip ATOM 539 CD2 HIS A 223 -0.912 25.839 4.241 1.00 0.00 C flip ATOM 540 CE1 HIS A 223 0.205 25.465 2.362 1.00 0.00 C flip ATOM 541 NE2 HIS A 223 -0.442 24.904 3.397 1.00 0.00 N flip ATOM 0 H HIS A 223 -0.808 27.348 6.423 1.00 0.00 H new ATOM 0 HA HIS A 223 0.865 29.164 5.021 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -2.005 28.375 4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.883 29.119 3.313 1.00 0.00 H new ATOM 0 HD1 HIS A 223 0.550 27.528 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 223 -1.468 25.682 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.681 24.936 1.549 1.00 0.00 H new ATOM 549 N PHE A 224 -0.455 31.429 4.997 1.00 0.00 N ATOM 550 CA PHE A 224 -1.196 32.695 5.052 1.00 0.00 C ATOM 551 C PHE A 224 -2.673 32.413 4.791 1.00 0.00 C ATOM 552 O PHE A 224 -3.521 32.778 5.596 1.00 0.00 O ATOM 553 CB PHE A 224 -0.708 33.692 3.990 1.00 0.00 C ATOM 554 CG PHE A 224 0.630 34.385 4.156 1.00 0.00 C ATOM 555 CD1 PHE A 224 1.516 34.093 5.212 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.996 35.331 3.179 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.781 34.703 5.245 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.264 35.932 3.210 1.00 0.00 C ATOM 559 CZ PHE A 224 3.169 35.584 4.224 1.00 0.00 C ATOM 0 H PHE A 224 0.344 31.440 4.364 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.037 33.131 6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.683 33.163 3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.467 34.470 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 224 1.224 33.404 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.296 35.596 2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 224 3.458 34.493 6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.541 36.657 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 224 4.168 35.995 4.219 1.00 0.00 H new ATOM 569 N ALA A 225 -2.962 31.693 3.705 1.00 0.00 N ATOM 570 CA ALA A 225 -4.315 31.370 3.283 1.00 0.00 C ATOM 571 C ALA A 225 -5.029 30.391 4.230 1.00 0.00 C ATOM 572 O ALA A 225 -6.247 30.250 4.133 1.00 0.00 O ATOM 573 CB ALA A 225 -4.270 30.817 1.855 1.00 0.00 C ATOM 0 H ALA A 225 -2.245 31.314 3.087 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.902 32.288 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.280 30.571 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.845 31.567 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.653 29.919 1.832 1.00 0.00 H new ATOM 579 N CYS A 226 -4.300 29.747 5.159 1.00 0.00 N ATOM 580 CA CYS A 226 -4.885 28.918 6.211 1.00 0.00 C ATOM 581 C CYS A 226 -5.702 29.739 7.225 1.00 0.00 C ATOM 582 O CYS A 226 -6.572 29.175 7.886 1.00 0.00 O ATOM 583 CB CYS A 226 -3.771 28.138 6.909 1.00 0.00 C ATOM 584 SG CYS A 226 -4.354 26.521 7.463 1.00 0.00 S ATOM 0 H CYS A 226 -3.282 29.792 5.195 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.587 28.225 5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.930 28.010 6.227 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.405 28.708 7.763 1.00 0.00 H new ATOM 0 HG CYS A 226 -4.125 25.637 6.538 1.00 0.00 H new ATOM 590 N VAL A 227 -5.461 31.060 7.306 1.00 0.00 N ATOM 591 CA VAL A 227 -6.217 32.025 8.108 1.00 0.00 C ATOM 592 C VAL A 227 -6.877 33.108 7.241 1.00 0.00 C ATOM 593 O VAL A 227 -7.775 33.811 7.702 1.00 0.00 O ATOM 594 CB VAL A 227 -5.302 32.615 9.207 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.294 33.654 8.688 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.106 33.218 10.369 1.00 0.00 C ATOM 0 H VAL A 227 -4.699 31.498 6.789 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.041 31.505 8.596 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.731 31.761 9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.690 34.021 9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.646 33.192 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.831 34.487 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.421 33.620 11.116 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.743 34.019 9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.725 32.444 10.823 1.00 0.00 H new ATOM 606 N GLY A 228 -6.429 33.218 5.987 1.00 0.00 N ATOM 607 CA GLY A 228 -6.910 34.166 4.990 1.00 0.00 C ATOM 608 C GLY A 228 -5.993 35.381 4.803 1.00 0.00 C ATOM 609 O GLY A 228 -6.452 36.385 4.259 1.00 0.00 O ATOM 0 H GLY A 228 -5.686 32.618 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.017 33.652 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -7.902 34.512 5.279 1.00 0.00 H new ATOM 613 N LEU A 229 -4.729 35.322 5.259 1.00 0.00 N ATOM 614 CA LEU A 229 -3.762 36.399 5.094 1.00 0.00 C ATOM 615 C LEU A 229 -3.296 36.524 3.635 1.00 0.00 C ATOM 616 O LEU A 229 -3.495 35.628 2.813 1.00 0.00 O ATOM 617 CB LEU A 229 -2.566 36.195 6.051 1.00 0.00 C ATOM 618 CG LEU A 229 -2.749 36.865 7.428 1.00 0.00 C ATOM 619 CD1 LEU A 229 -1.652 36.376 8.381 1.00 0.00 C ATOM 620 CD2 LEU A 229 -2.676 38.399 7.343 1.00 0.00 C ATOM 0 H LEU A 229 -4.356 34.513 5.756 1.00 0.00 H new ATOM 0 HA LEU A 229 -4.253 37.337 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.407 35.126 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -1.665 36.591 5.582 1.00 0.00 H new ATOM 0 HG LEU A 229 -3.738 36.591 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -1.779 36.848 9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -1.721 35.294 8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -0.675 36.638 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -2.810 38.825 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -1.704 38.696 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -3.462 38.765 6.682 1.00 0.00 H new ATOM 632 N THR A 230 -2.636 37.653 3.352 1.00 0.00 N ATOM 633 CA THR A 230 -2.055 38.007 2.053 1.00 0.00 C ATOM 634 C THR A 230 -0.608 38.519 2.220 1.00 0.00 C ATOM 635 O THR A 230 0.139 38.564 1.244 1.00 0.00 O ATOM 636 CB THR A 230 -2.972 39.050 1.374 1.00 0.00 C ATOM 637 OG1 THR A 230 -4.270 38.514 1.209 1.00 0.00 O ATOM 638 CG2 THR A 230 -2.496 39.507 -0.010 1.00 0.00 C ATOM 0 H THR A 230 -2.486 38.377 4.055 1.00 0.00 H new ATOM 0 HA THR A 230 -1.995 37.126 1.414 1.00 0.00 H new ATOM 0 HB THR A 230 -2.956 39.915 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.847 39.180 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 230 -3.197 40.238 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 230 -1.509 39.961 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 230 -2.443 38.648 -0.679 1.00 0.00 H new ATOM 646 N THR A 231 -0.195 38.854 3.453 1.00 0.00 N ATOM 647 CA THR A 231 1.115 39.405 3.801 1.00 0.00 C ATOM 648 C THR A 231 1.592 38.820 5.139 1.00 0.00 C ATOM 649 O THR A 231 0.815 38.195 5.864 1.00 0.00 O ATOM 650 CB THR A 231 1.047 40.946 3.892 1.00 0.00 C ATOM 651 OG1 THR A 231 0.091 41.353 4.852 1.00 0.00 O ATOM 652 CG2 THR A 231 0.715 41.613 2.551 1.00 0.00 C ATOM 0 H THR A 231 -0.797 38.741 4.269 1.00 0.00 H new ATOM 0 HA THR A 231 1.825 39.134 3.020 1.00 0.00 H new ATOM 0 HB THR A 231 2.044 41.269 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 231 0.066 42.332 4.894 1.00 0.00 H new ATOM 0 HG21 THR A 231 0.682 42.695 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 231 1.481 41.359 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 231 -0.254 41.260 2.199 1.00 0.00 H new ATOM 660 N LYS A 232 2.867 39.065 5.477 1.00 0.00 N ATOM 661 CA LYS A 232 3.462 38.665 6.749 1.00 0.00 C ATOM 662 C LYS A 232 3.466 39.873 7.707 1.00 0.00 C ATOM 663 O LYS A 232 4.172 40.844 7.434 1.00 0.00 O ATOM 664 CB LYS A 232 4.880 38.117 6.511 1.00 0.00 C ATOM 665 CG LYS A 232 5.420 37.401 7.759 1.00 0.00 C ATOM 666 CD LYS A 232 6.820 36.788 7.592 1.00 0.00 C ATOM 667 CE LYS A 232 6.866 35.562 6.669 1.00 0.00 C ATOM 668 NZ LYS A 232 7.016 35.921 5.246 1.00 0.00 N ATOM 0 H LYS A 232 3.518 39.554 4.862 1.00 0.00 H new ATOM 0 HA LYS A 232 2.876 37.869 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 232 4.868 37.425 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 232 5.548 38.935 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 232 5.445 38.111 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 232 4.723 36.611 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 232 7.493 37.550 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 232 7.199 36.504 8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 232 7.696 34.921 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.952 34.982 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.277 35.448 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 6.926 36.951 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.952 35.618 4.908 1.00 0.00 H new ATOM 682 N PRO A 233 2.710 39.835 8.825 1.00 0.00 N ATOM 683 CA PRO A 233 2.761 40.844 9.880 1.00 0.00 C ATOM 684 C PRO A 233 4.031 40.675 10.736 1.00 0.00 C ATOM 685 O PRO A 233 4.836 39.770 10.499 1.00 0.00 O ATOM 686 CB PRO A 233 1.482 40.608 10.693 1.00 0.00 C ATOM 687 CG PRO A 233 1.304 39.095 10.617 1.00 0.00 C ATOM 688 CD PRO A 233 1.807 38.762 9.213 1.00 0.00 C ATOM 0 HA PRO A 233 2.809 41.862 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 233 1.588 40.951 11.722 1.00 0.00 H new ATOM 0 HB3 PRO A 233 0.629 41.137 10.267 1.00 0.00 H new ATOM 0 HG2 PRO A 233 1.882 38.581 11.385 1.00 0.00 H new ATOM 0 HG3 PRO A 233 0.263 38.803 10.753 1.00 0.00 H new ATOM 0 HD2 PRO A 233 2.322 37.801 9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 233 0.975 38.684 8.513 1.00 0.00 H new ATOM 696 N ARG A 234 4.190 41.526 11.760 1.00 0.00 N ATOM 697 CA ARG A 234 5.264 41.430 12.738 1.00 0.00 C ATOM 698 C ARG A 234 4.694 41.712 14.127 1.00 0.00 C ATOM 699 O ARG A 234 3.979 42.690 14.343 1.00 0.00 O ATOM 700 CB ARG A 234 6.404 42.399 12.380 1.00 0.00 C ATOM 701 CG ARG A 234 7.794 41.889 12.804 1.00 0.00 C ATOM 702 CD ARG A 234 8.483 41.023 11.735 1.00 0.00 C ATOM 703 NE ARG A 234 7.702 39.828 11.377 1.00 0.00 N ATOM 704 CZ ARG A 234 7.804 38.605 11.916 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.738 38.304 12.821 1.00 0.00 N ATOM 706 NH2 ARG A 234 6.935 37.666 11.543 1.00 0.00 N ATOM 0 H ARG A 234 3.561 42.311 11.928 1.00 0.00 H new ATOM 0 HA ARG A 234 5.686 40.425 12.733 1.00 0.00 H new ATOM 0 HB2 ARG A 234 6.401 42.571 11.304 1.00 0.00 H new ATOM 0 HB3 ARG A 234 6.217 43.361 12.857 1.00 0.00 H new ATOM 0 HG2 ARG A 234 8.431 42.743 13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 234 7.695 41.309 13.722 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.650 41.623 10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 234 9.463 40.715 12.100 1.00 0.00 H new ATOM 0 HE ARG A 234 7.008 39.943 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 234 9.403 39.016 13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.786 37.362 13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 234 6.210 37.885 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 234 6.995 36.729 11.941 1.00 0.00 H new ATOM 720 N GLY A 235 5.013 40.794 15.038 1.00 0.00 N ATOM 721 CA GLY A 235 4.454 40.689 16.380 1.00 0.00 C ATOM 722 C GLY A 235 3.830 39.308 16.608 1.00 0.00 C ATOM 723 O GLY A 235 3.852 38.446 15.726 1.00 0.00 O ATOM 0 H GLY A 235 5.704 40.068 14.848 1.00 0.00 H new ATOM 0 HA2 GLY A 235 5.236 40.865 17.118 1.00 0.00 H new ATOM 0 HA3 GLY A 235 3.699 41.462 16.525 1.00 0.00 H new ATOM 727 N LYS A 236 3.255 39.112 17.802 1.00 0.00 N ATOM 728 CA LYS A 236 2.489 37.931 18.156 1.00 0.00 C ATOM 729 C LYS A 236 1.192 37.869 17.350 1.00 0.00 C ATOM 730 O LYS A 236 0.484 38.859 17.166 1.00 0.00 O ATOM 731 CB LYS A 236 2.234 37.881 19.671 1.00 0.00 C ATOM 732 CG LYS A 236 1.445 39.058 20.272 1.00 0.00 C ATOM 733 CD LYS A 236 1.451 39.015 21.809 1.00 0.00 C ATOM 734 CE LYS A 236 0.796 37.744 22.361 1.00 0.00 C ATOM 735 NZ LYS A 236 0.917 37.663 23.827 1.00 0.00 N ATOM 0 H LYS A 236 3.317 39.792 18.560 1.00 0.00 H new ATOM 0 HA LYS A 236 3.071 37.046 17.900 1.00 0.00 H new ATOM 0 HB2 LYS A 236 1.697 36.959 19.897 1.00 0.00 H new ATOM 0 HB3 LYS A 236 3.197 37.821 20.178 1.00 0.00 H new ATOM 0 HG2 LYS A 236 1.878 39.999 19.932 1.00 0.00 H new ATOM 0 HG3 LYS A 236 0.417 39.031 19.910 1.00 0.00 H new ATOM 0 HD2 LYS A 236 2.479 39.076 22.167 1.00 0.00 H new ATOM 0 HD3 LYS A 236 0.926 39.888 22.196 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -0.257 37.726 22.081 1.00 0.00 H new ATOM 0 HE3 LYS A 236 1.261 36.868 21.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.463 36.791 24.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 1.923 37.655 24.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 0.451 38.486 24.260 1.00 0.00 H new ATOM 749 N TRP A 237 0.913 36.653 16.892 1.00 0.00 N ATOM 750 CA TRP A 237 -0.196 36.264 16.048 1.00 0.00 C ATOM 751 C TRP A 237 -0.709 34.893 16.495 1.00 0.00 C ATOM 752 O TRP A 237 0.024 34.084 17.067 1.00 0.00 O ATOM 753 CB TRP A 237 0.313 36.230 14.605 1.00 0.00 C ATOM 754 CG TRP A 237 -0.608 35.640 13.590 1.00 0.00 C ATOM 755 CD1 TRP A 237 -1.482 36.294 12.803 1.00 0.00 C ATOM 756 CD2 TRP A 237 -0.742 34.239 13.242 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.159 35.391 12.003 1.00 0.00 N ATOM 758 CE2 TRP A 237 -1.719 34.098 12.218 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.119 33.077 13.720 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.023 32.845 11.662 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.440 31.815 13.198 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.366 31.701 12.146 1.00 0.00 C ATOM 0 H TRP A 237 1.507 35.857 17.123 1.00 0.00 H new ATOM 0 HA TRP A 237 -1.025 36.968 16.121 1.00 0.00 H new ATOM 0 HB2 TRP A 237 0.547 37.250 14.301 1.00 0.00 H new ATOM 0 HB3 TRP A 237 1.247 35.669 14.585 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -1.632 37.363 12.797 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -2.890 35.647 11.339 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.620 33.155 14.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -2.754 32.761 10.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.025 30.929 13.605 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.572 30.735 11.710 1.00 0.00 H new ATOM 773 N PHE A 238 -1.986 34.646 16.196 1.00 0.00 N ATOM 774 CA PHE A 238 -2.726 33.466 16.616 1.00 0.00 C ATOM 775 C PHE A 238 -3.398 32.802 15.417 1.00 0.00 C ATOM 776 O PHE A 238 -4.043 33.459 14.600 1.00 0.00 O ATOM 777 CB PHE A 238 -3.742 33.837 17.706 1.00 0.00 C ATOM 778 CG PHE A 238 -3.164 34.034 19.101 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.292 35.106 19.386 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.504 33.136 20.132 1.00 0.00 C ATOM 781 CE1 PHE A 238 -1.711 35.230 20.660 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.947 33.278 21.414 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.028 34.308 21.672 1.00 0.00 C ATOM 0 H PHE A 238 -2.548 35.287 15.636 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.031 32.743 17.043 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.249 34.755 17.409 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.500 33.055 17.753 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.070 35.835 18.621 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.198 32.332 19.935 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -1.020 36.035 20.861 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -3.226 32.594 22.202 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.566 34.391 22.645 1.00 0.00 H new ATOM 793 N CYS A 239 -3.227 31.475 15.339 1.00 0.00 N ATOM 794 CA CYS A 239 -3.737 30.628 14.271 1.00 0.00 C ATOM 795 C CYS A 239 -5.270 30.464 14.339 1.00 0.00 C ATOM 796 O CYS A 239 -5.879 30.887 15.325 1.00 0.00 O ATOM 797 CB CYS A 239 -2.918 29.333 14.276 1.00 0.00 C ATOM 798 SG CYS A 239 -3.522 28.089 15.440 1.00 0.00 S ATOM 0 H CYS A 239 -2.711 30.951 16.046 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.601 31.090 13.293 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.921 28.909 13.272 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -1.882 29.571 14.518 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.389 28.531 16.655 1.00 0.00 H new ATOM 804 N PRO A 240 -5.930 29.880 13.316 1.00 0.00 N ATOM 805 CA PRO A 240 -7.388 29.896 13.232 1.00 0.00 C ATOM 806 C PRO A 240 -8.083 28.971 14.238 1.00 0.00 C ATOM 807 O PRO A 240 -9.274 29.141 14.481 1.00 0.00 O ATOM 808 CB PRO A 240 -7.725 29.513 11.787 1.00 0.00 C ATOM 809 CG PRO A 240 -6.551 28.620 11.398 1.00 0.00 C ATOM 810 CD PRO A 240 -5.371 29.266 12.119 1.00 0.00 C ATOM 0 HA PRO A 240 -7.760 30.886 13.495 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.676 28.985 11.719 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -7.800 30.389 11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.705 27.590 11.719 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.401 28.599 10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.615 28.524 12.376 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.886 30.010 11.487 1.00 0.00 H new ATOM 818 N ARG A 241 -7.336 28.039 14.847 1.00 0.00 N ATOM 819 CA ARG A 241 -7.777 27.159 15.921 1.00 0.00 C ATOM 820 C ARG A 241 -7.378 27.699 17.309 1.00 0.00 C ATOM 821 O ARG A 241 -7.516 26.985 18.301 1.00 0.00 O ATOM 822 CB ARG A 241 -7.221 25.744 15.675 1.00 0.00 C ATOM 823 CG ARG A 241 -7.799 25.108 14.397 1.00 0.00 C ATOM 824 CD ARG A 241 -7.224 23.712 14.133 1.00 0.00 C ATOM 825 NE ARG A 241 -7.590 22.750 15.184 1.00 0.00 N ATOM 826 CZ ARG A 241 -7.127 21.496 15.286 1.00 0.00 C ATOM 827 NH1 ARG A 241 -6.266 20.991 14.399 1.00 0.00 N ATOM 828 NH2 ARG A 241 -7.535 20.730 16.298 1.00 0.00 N ATOM 0 H ARG A 241 -6.363 27.876 14.587 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.866 27.117 15.917 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.135 25.790 15.597 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.452 25.110 16.531 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.883 25.042 14.485 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.587 25.753 13.544 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.584 23.349 13.170 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -6.138 23.776 14.064 1.00 0.00 H new ATOM 0 HE ARG A 241 -8.251 23.063 15.895 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -5.944 21.563 13.618 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -5.931 20.033 14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -8.193 21.100 16.984 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -7.189 19.774 16.386 1.00 0.00 H new ATOM 842 N CYS A 242 -6.875 28.943 17.385 1.00 0.00 N ATOM 843 CA CYS A 242 -6.312 29.555 18.574 1.00 0.00 C ATOM 844 C CYS A 242 -6.870 30.955 18.869 1.00 0.00 C ATOM 845 O CYS A 242 -6.747 31.399 20.010 1.00 0.00 O ATOM 846 CB CYS A 242 -4.796 29.636 18.385 1.00 0.00 C ATOM 847 SG CYS A 242 -3.983 28.052 18.749 1.00 0.00 S ATOM 0 H CYS A 242 -6.855 29.566 16.578 1.00 0.00 H new ATOM 0 HA CYS A 242 -6.585 28.937 19.429 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.573 29.931 17.360 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -4.390 30.411 19.035 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.938 27.329 17.669 1.00 0.00 H new ATOM 853 N SER A 243 -7.490 31.639 17.892 1.00 0.00 N ATOM 854 CA SER A 243 -8.149 32.929 18.120 1.00 0.00 C ATOM 855 C SER A 243 -9.316 33.174 17.163 1.00 0.00 C ATOM 856 O SER A 243 -10.345 33.692 17.600 1.00 0.00 O ATOM 857 CB SER A 243 -7.119 34.058 18.005 1.00 0.00 C ATOM 858 OG SER A 243 -7.708 35.320 18.234 1.00 0.00 O ATOM 0 H SER A 243 -7.546 31.312 16.928 1.00 0.00 H new ATOM 0 HA SER A 243 -8.570 32.909 19.125 1.00 0.00 H new ATOM 0 HB2 SER A 243 -6.316 33.894 18.724 1.00 0.00 H new ATOM 0 HB3 SER A 243 -6.667 34.041 17.013 1.00 0.00 H new ATOM 0 HG SER A 243 -7.025 36.019 18.155 1.00 0.00 H new ATOM 864 N GLN A 244 -9.183 32.777 15.889 1.00 0.00 N ATOM 865 CA GLN A 244 -10.246 32.955 14.893 1.00 0.00 C ATOM 866 C GLN A 244 -11.459 32.048 15.175 1.00 0.00 C ATOM 867 O GLN A 244 -12.559 32.329 14.701 1.00 0.00 O ATOM 868 CB GLN A 244 -9.686 32.707 13.480 1.00 0.00 C ATOM 869 CG GLN A 244 -10.453 33.443 12.373 1.00 0.00 C ATOM 870 CD GLN A 244 -10.327 34.962 12.494 1.00 0.00 C ATOM 871 OE1 GLN A 244 -9.237 35.514 12.378 1.00 0.00 O ATOM 872 NE2 GLN A 244 -11.439 35.653 12.740 1.00 0.00 N ATOM 0 H GLN A 244 -8.343 32.328 15.524 1.00 0.00 H new ATOM 0 HA GLN A 244 -10.601 33.983 14.959 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -8.641 33.017 13.453 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -9.706 31.637 13.274 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -10.077 33.125 11.400 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.506 33.163 12.415 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -12.331 35.168 12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -11.398 36.668 12.837 1.00 0.00 H new ATOM 881 N GLU A 245 -11.256 30.991 15.978 1.00 0.00 N ATOM 882 CA GLU A 245 -12.261 30.029 16.420 1.00 0.00 C ATOM 883 C GLU A 245 -13.379 30.669 17.266 1.00 0.00 C ATOM 884 O GLU A 245 -14.458 30.090 17.387 1.00 0.00 O ATOM 885 CB GLU A 245 -11.516 28.935 17.207 1.00 0.00 C ATOM 886 CG GLU A 245 -12.305 27.632 17.361 1.00 0.00 C ATOM 887 CD GLU A 245 -11.413 26.534 17.945 1.00 0.00 C ATOM 888 OE1 GLU A 245 -11.353 26.449 19.191 1.00 0.00 O ATOM 889 OE2 GLU A 245 -10.791 25.809 17.136 1.00 0.00 O ATOM 0 H GLU A 245 -10.332 30.779 16.354 1.00 0.00 H new ATOM 0 HA GLU A 245 -12.773 29.612 15.553 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -10.573 28.719 16.705 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -11.270 29.318 18.197 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -13.165 27.795 18.011 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -12.693 27.317 16.392 1.00 0.00 H new