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 -44:sc= -6.08! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.894 K(o=-1.3,f=-4.2!) USER MOD Set 1.3: A 217 CYS SG : rot -173:sc= 1.71 USER MOD Set 1.4: A 239 CYS SG : rot 156:sc= 0.581 USER MOD Set 1.5: A 242 CYS SG : rot 111:sc= 1.56 USER MOD Set 2.1: A 197 THR OG1 : rot 150:sc= 0.0704 USER MOD Set 2.2: A 202 HIS : no HD1:sc= 0.0189 K(o=0.089,f=-0.66) USER MOD Set 3.1: A 199 CYS SG : rot -97:sc= -1.65! USER MOD Set 3.2: A 201 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 203 GLN : amide:sc= 0.0296 K(o=-2.3,f=-3.8!) USER MOD Set 3.4: A 223 HIS : no HD1:sc= -0.583 K(o=-2.3,f=-1.8) USER MOD Set 3.5: A 226 CYS SG : rot 180:sc= -0.125 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 206 TYR OH : rot 100:sc= 0 USER MOD Single : A 209 MET CE :methyl -149:sc= -0.0495 (180deg=-1.25) USER MOD Single : A 218 SER OG : rot -47:sc= 0.131 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+ -140:sc= 1.53 (180deg=0.559) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 9.522 15.850 6.544 1.00 0.00 N ATOM 135 CA PRO A 196 8.997 16.848 7.474 1.00 0.00 C ATOM 136 C PRO A 196 7.836 17.659 6.882 1.00 0.00 C ATOM 137 O PRO A 196 7.651 17.734 5.666 1.00 0.00 O ATOM 138 CB PRO A 196 10.189 17.744 7.832 1.00 0.00 C ATOM 139 CG PRO A 196 11.089 17.644 6.604 1.00 0.00 C ATOM 140 CD PRO A 196 10.884 16.198 6.162 1.00 0.00 C ATOM 0 HA PRO A 196 8.572 16.368 8.355 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.877 18.772 8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.697 17.396 8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.797 18.351 5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.131 17.850 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.026 16.095 5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.605 15.537 6.643 1.00 0.00 H new ATOM 148 N THR A 197 7.069 18.290 7.780 1.00 0.00 N ATOM 149 CA THR A 197 5.890 19.095 7.488 1.00 0.00 C ATOM 150 C THR A 197 5.848 20.295 8.444 1.00 0.00 C ATOM 151 O THR A 197 6.653 20.401 9.372 1.00 0.00 O ATOM 152 CB THR A 197 4.600 18.249 7.614 1.00 0.00 C ATOM 153 OG1 THR A 197 4.344 17.889 8.959 1.00 0.00 O ATOM 154 CG2 THR A 197 4.611 16.968 6.768 1.00 0.00 C ATOM 0 H THR A 197 7.270 18.247 8.779 1.00 0.00 H new ATOM 0 HA THR A 197 5.949 19.455 6.461 1.00 0.00 H new ATOM 0 HB THR A 197 3.811 18.898 7.234 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.378 17.802 9.096 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.674 16.430 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.724 17.228 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.443 16.335 7.077 1.00 0.00 H new ATOM 162 N TYR A 198 4.868 21.176 8.226 1.00 0.00 N ATOM 163 CA TYR A 198 4.644 22.370 9.043 1.00 0.00 C ATOM 164 C TYR A 198 3.155 22.567 9.358 1.00 0.00 C ATOM 165 O TYR A 198 2.758 22.421 10.509 1.00 0.00 O ATOM 166 CB TYR A 198 5.232 23.589 8.312 1.00 0.00 C ATOM 167 CG TYR A 198 6.732 23.784 8.427 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.342 23.866 9.695 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.509 23.957 7.265 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.721 24.113 9.804 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.889 24.208 7.366 1.00 0.00 C ATOM 172 CZ TYR A 198 9.501 24.288 8.638 1.00 0.00 C ATOM 173 OH TYR A 198 10.837 24.542 8.744 1.00 0.00 O ATOM 0 H TYR A 198 4.197 21.077 7.464 1.00 0.00 H new ATOM 0 HA TYR A 198 5.148 22.248 10.002 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.978 23.509 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.741 24.485 8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.747 23.738 10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.043 23.897 6.293 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.185 24.169 10.778 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.481 24.340 6.472 1.00 0.00 H new ATOM 0 HH TYR A 198 11.224 24.635 7.849 1.00 0.00 H new ATOM 183 N CYS A 199 2.346 22.869 8.336 1.00 0.00 N ATOM 184 CA CYS A 199 0.902 23.033 8.346 1.00 0.00 C ATOM 185 C CYS A 199 0.147 21.814 8.869 1.00 0.00 C ATOM 186 O CYS A 199 0.664 20.696 8.872 1.00 0.00 O ATOM 187 CB CYS A 199 0.458 23.312 6.905 1.00 0.00 C ATOM 188 SG CYS A 199 1.234 22.178 5.730 1.00 0.00 S ATOM 0 H CYS A 199 2.727 23.016 7.401 1.00 0.00 H new ATOM 0 HA CYS A 199 0.667 23.853 9.025 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -0.626 23.222 6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.710 24.339 6.640 1.00 0.00 H new ATOM 0 HG CYS A 199 2.280 22.745 5.206 1.00 0.00 H new ATOM 193 N LEU A 200 -1.129 22.045 9.211 1.00 0.00 N ATOM 194 CA LEU A 200 -2.072 20.961 9.477 1.00 0.00 C ATOM 195 C LEU A 200 -2.572 20.309 8.175 1.00 0.00 C ATOM 196 O LEU A 200 -3.351 19.359 8.227 1.00 0.00 O ATOM 197 CB LEU A 200 -3.184 21.368 10.456 1.00 0.00 C ATOM 198 CG LEU A 200 -4.035 22.580 10.058 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.971 22.314 8.868 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.887 23.014 11.259 1.00 0.00 C ATOM 0 H LEU A 200 -1.528 22.979 9.309 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.529 20.176 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.848 20.514 10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.728 21.574 11.424 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.338 23.360 9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.541 23.216 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.380 22.032 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.657 21.505 9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.494 23.876 10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.538 22.193 11.559 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.235 23.282 12.090 1.00 0.00 H new ATOM 212 N CYS A 201 -2.121 20.808 7.009 1.00 0.00 N ATOM 213 CA CYS A 201 -2.305 20.157 5.722 1.00 0.00 C ATOM 214 C CYS A 201 -1.343 18.963 5.588 1.00 0.00 C ATOM 215 O CYS A 201 -1.671 17.975 4.936 1.00 0.00 O ATOM 216 CB CYS A 201 -2.026 21.186 4.629 1.00 0.00 C ATOM 217 SG CYS A 201 -3.206 22.564 4.659 1.00 0.00 S ATOM 0 H CYS A 201 -1.612 21.690 6.946 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.324 19.780 5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.015 21.575 4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.066 20.698 3.655 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.916 23.404 3.710 1.00 0.00 H new ATOM 223 N HIS A 202 -0.185 19.060 6.259 1.00 0.00 N ATOM 224 CA HIS A 202 0.804 18.012 6.484 1.00 0.00 C ATOM 225 C HIS A 202 1.582 17.623 5.229 1.00 0.00 C ATOM 226 O HIS A 202 1.664 16.454 4.853 1.00 0.00 O ATOM 227 CB HIS A 202 0.265 16.841 7.322 1.00 0.00 C ATOM 228 CG HIS A 202 0.062 17.219 8.766 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.053 17.524 9.673 1.00 0.00 N ATOM 230 CD2 HIS A 202 -1.132 17.333 9.422 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.460 17.820 10.842 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.876 17.715 10.743 1.00 0.00 N ATOM 0 H HIS A 202 0.099 19.941 6.687 1.00 0.00 H new ATOM 0 HA HIS A 202 1.571 18.452 7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.681 16.501 6.901 1.00 0.00 H new ATOM 0 HB3 HIS A 202 0.960 16.004 7.262 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -2.108 17.158 8.993 1.00 0.00 H new ATOM 0 HE1 HIS A 202 0.987 18.104 11.741 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.562 17.880 11.479 1.00 0.00 H new ATOM 240 N GLN A 203 2.183 18.644 4.612 1.00 0.00 N ATOM 241 CA GLN A 203 3.196 18.507 3.580 1.00 0.00 C ATOM 242 C GLN A 203 4.325 19.526 3.825 1.00 0.00 C ATOM 243 O GLN A 203 4.230 20.365 4.726 1.00 0.00 O ATOM 244 CB GLN A 203 2.556 18.545 2.178 1.00 0.00 C ATOM 245 CG GLN A 203 2.360 19.928 1.541 1.00 0.00 C ATOM 246 CD GLN A 203 1.628 20.940 2.411 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.493 20.727 2.824 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.283 22.065 2.683 1.00 0.00 N ATOM 0 H GLN A 203 1.966 19.617 4.829 1.00 0.00 H new ATOM 0 HA GLN A 203 3.672 17.528 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.173 17.947 1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.583 18.057 2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.338 20.334 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.808 19.807 0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.226 22.206 2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.842 22.787 3.253 1.00 0.00 H new ATOM 257 N VAL A 204 5.408 19.421 3.042 1.00 0.00 N ATOM 258 CA VAL A 204 6.630 20.227 3.174 1.00 0.00 C ATOM 259 C VAL A 204 6.358 21.728 2.934 1.00 0.00 C ATOM 260 O VAL A 204 5.250 22.114 2.563 1.00 0.00 O ATOM 261 CB VAL A 204 7.761 19.700 2.240 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.124 19.764 2.952 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.572 18.259 1.730 1.00 0.00 C ATOM 0 H VAL A 204 5.459 18.751 2.275 1.00 0.00 H new ATOM 0 HA VAL A 204 6.974 20.123 4.203 1.00 0.00 H new ATOM 0 HB VAL A 204 7.717 20.359 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.901 19.392 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.344 20.796 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.094 19.149 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.411 17.987 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.527 17.576 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.644 18.193 1.161 1.00 0.00 H new ATOM 273 N SER A 205 7.386 22.565 3.146 1.00 0.00 N ATOM 274 CA SER A 205 7.353 24.029 3.101 1.00 0.00 C ATOM 275 C SER A 205 6.655 24.627 1.869 1.00 0.00 C ATOM 276 O SER A 205 6.555 24.004 0.811 1.00 0.00 O ATOM 277 CB SER A 205 8.780 24.575 3.248 1.00 0.00 C ATOM 278 OG SER A 205 9.568 24.284 2.112 1.00 0.00 O ATOM 0 H SER A 205 8.317 22.213 3.367 1.00 0.00 H new ATOM 0 HA SER A 205 6.734 24.345 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 205 8.744 25.654 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.245 24.144 4.134 1.00 0.00 H new ATOM 0 HG SER A 205 10.470 24.647 2.238 1.00 0.00 H new ATOM 284 N TYR A 206 6.192 25.871 2.038 1.00 0.00 N ATOM 285 CA TYR A 206 5.295 26.573 1.124 1.00 0.00 C ATOM 286 C TYR A 206 5.629 28.070 1.063 1.00 0.00 C ATOM 287 O TYR A 206 6.343 28.600 1.915 1.00 0.00 O ATOM 288 CB TYR A 206 3.837 26.321 1.562 1.00 0.00 C ATOM 289 CG TYR A 206 3.604 26.256 3.066 1.00 0.00 C ATOM 290 CD1 TYR A 206 3.362 27.422 3.814 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.674 25.014 3.722 1.00 0.00 C ATOM 292 CE1 TYR A 206 3.206 27.347 5.212 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.501 24.927 5.111 1.00 0.00 C ATOM 294 CZ TYR A 206 3.262 26.096 5.862 1.00 0.00 C ATOM 295 OH TYR A 206 3.104 26.024 7.211 1.00 0.00 O ATOM 0 H TYR A 206 6.445 26.435 2.849 1.00 0.00 H new ATOM 0 HA TYR A 206 5.426 26.188 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.211 27.112 1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.500 25.384 1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 206 3.296 28.378 3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.863 24.118 3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 206 3.044 28.247 5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.551 23.967 5.604 1.00 0.00 H new ATOM 0 HH TYR A 206 2.186 25.751 7.419 1.00 0.00 H new ATOM 305 N GLY A 207 5.110 28.733 0.019 1.00 0.00 N ATOM 306 CA GLY A 207 5.467 30.096 -0.365 1.00 0.00 C ATOM 307 C GLY A 207 5.161 31.159 0.692 1.00 0.00 C ATOM 308 O GLY A 207 5.990 32.043 0.905 1.00 0.00 O ATOM 0 H GLY A 207 4.410 28.318 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.532 30.127 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 207 4.936 30.352 -1.282 1.00 0.00 H new ATOM 312 N GLU A 208 4.007 31.058 1.368 1.00 0.00 N ATOM 313 CA GLU A 208 3.518 32.060 2.300 1.00 0.00 C ATOM 314 C GLU A 208 3.104 31.404 3.617 1.00 0.00 C ATOM 315 O GLU A 208 2.272 30.498 3.638 1.00 0.00 O ATOM 316 CB GLU A 208 2.401 32.855 1.616 1.00 0.00 C ATOM 317 CG GLU A 208 0.993 32.229 1.538 1.00 0.00 C ATOM 318 CD GLU A 208 0.909 30.865 0.841 1.00 0.00 C ATOM 319 OE1 GLU A 208 1.527 30.714 -0.236 1.00 0.00 O ATOM 320 OE2 GLU A 208 0.209 29.988 1.396 1.00 0.00 O ATOM 0 H GLU A 208 3.382 30.258 1.273 1.00 0.00 H new ATOM 0 HA GLU A 208 4.302 32.769 2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.311 33.811 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 208 2.724 33.072 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 208 0.606 32.123 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 208 0.335 32.924 1.017 1.00 0.00 H new ATOM 327 N MET A 209 3.711 31.860 4.720 1.00 0.00 N ATOM 328 CA MET A 209 3.615 31.164 6.002 1.00 0.00 C ATOM 329 C MET A 209 3.452 32.123 7.182 1.00 0.00 C ATOM 330 O MET A 209 4.090 33.176 7.236 1.00 0.00 O ATOM 331 CB MET A 209 4.869 30.289 6.269 1.00 0.00 C ATOM 332 CG MET A 209 5.608 29.677 5.066 1.00 0.00 C ATOM 333 SD MET A 209 6.461 28.083 5.324 1.00 0.00 S ATOM 334 CE MET A 209 7.125 28.224 7.005 1.00 0.00 C ATOM 0 H MET A 209 4.274 32.710 4.746 1.00 0.00 H new ATOM 0 HA MET A 209 2.726 30.538 5.925 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.585 30.896 6.824 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.569 29.471 6.924 1.00 0.00 H new ATOM 0 HG2 MET A 209 4.887 29.546 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.345 30.401 4.720 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.050 27.653 7.080 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.326 29.271 7.230 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.398 27.833 7.717 1.00 0.00 H new ATOM 344 N ILE A 210 2.665 31.676 8.168 1.00 0.00 N ATOM 345 CA ILE A 210 2.483 32.318 9.470 1.00 0.00 C ATOM 346 C ILE A 210 2.503 31.269 10.585 1.00 0.00 C ATOM 347 O ILE A 210 2.041 30.146 10.401 1.00 0.00 O ATOM 348 CB ILE A 210 1.187 33.153 9.477 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.094 33.981 10.776 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.077 32.297 9.241 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.013 35.033 10.745 1.00 0.00 C ATOM 0 H ILE A 210 2.116 30.822 8.074 1.00 0.00 H new ATOM 0 HA ILE A 210 3.310 33.003 9.655 1.00 0.00 H new ATOM 0 HB ILE A 210 1.234 33.842 8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.922 33.308 11.616 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.050 34.475 10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.959 32.938 9.256 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.005 31.802 8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.160 31.547 10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.023 35.579 11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.169 35.728 9.926 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.976 34.544 10.599 1.00 0.00 H new ATOM 363 N GLY A 211 3.033 31.665 11.746 1.00 0.00 N ATOM 364 CA GLY A 211 3.321 30.782 12.866 1.00 0.00 C ATOM 365 C GLY A 211 2.643 31.227 14.161 1.00 0.00 C ATOM 366 O GLY A 211 2.570 32.416 14.469 1.00 0.00 O ATOM 0 H GLY A 211 3.278 32.637 11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.995 29.772 12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.399 30.740 13.022 1.00 0.00 H new ATOM 370 N CYS A 212 2.135 30.228 14.894 1.00 0.00 N ATOM 371 CA CYS A 212 1.237 30.379 16.038 1.00 0.00 C ATOM 372 C CYS A 212 1.991 30.843 17.282 1.00 0.00 C ATOM 373 O CYS A 212 2.943 30.198 17.719 1.00 0.00 O ATOM 374 CB CYS A 212 0.466 29.070 16.285 1.00 0.00 C ATOM 375 SG CYS A 212 -0.100 28.277 14.806 1.00 0.00 S ATOM 0 H CYS A 212 2.350 29.251 14.694 1.00 0.00 H new ATOM 0 HA CYS A 212 0.510 31.157 15.807 1.00 0.00 H new ATOM 0 HB2 CYS A 212 1.108 28.380 16.832 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.392 29.281 16.923 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.619 29.164 14.009 1.00 0.00 H new ATOM 380 N ASP A 213 1.516 31.954 17.857 1.00 0.00 N ATOM 381 CA ASP A 213 2.094 32.628 19.019 1.00 0.00 C ATOM 382 C ASP A 213 1.829 31.884 20.350 1.00 0.00 C ATOM 383 O ASP A 213 2.180 32.386 21.417 1.00 0.00 O ATOM 384 CB ASP A 213 1.568 34.073 19.033 1.00 0.00 C ATOM 385 CG ASP A 213 2.302 34.972 20.031 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.489 35.264 19.769 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.652 35.382 21.018 1.00 0.00 O ATOM 0 H ASP A 213 0.682 32.426 17.508 1.00 0.00 H new ATOM 0 HA ASP A 213 3.180 32.630 18.930 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.663 34.497 18.033 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.505 34.064 19.275 1.00 0.00 H new ATOM 392 N ASN A 214 1.207 30.694 20.310 1.00 0.00 N ATOM 393 CA ASN A 214 0.899 29.906 21.497 1.00 0.00 C ATOM 394 C ASN A 214 2.182 29.351 22.139 1.00 0.00 C ATOM 395 O ASN A 214 3.101 28.967 21.412 1.00 0.00 O ATOM 396 CB ASN A 214 0.083 28.661 21.126 1.00 0.00 C ATOM 397 CG ASN A 214 -1.257 28.854 20.430 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.401 29.581 19.448 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.229 28.048 20.839 1.00 0.00 N ATOM 0 H ASN A 214 0.904 30.255 19.441 1.00 0.00 H new ATOM 0 HA ASN A 214 0.358 30.571 22.170 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.704 28.037 20.483 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.097 28.097 22.041 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.116 28.023 20.337 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.089 27.453 21.656 1.00 0.00 H new ATOM 406 N PRO A 215 2.216 29.188 23.475 1.00 0.00 N ATOM 407 CA PRO A 215 3.251 28.422 24.160 1.00 0.00 C ATOM 408 C PRO A 215 2.961 26.901 24.115 1.00 0.00 C ATOM 409 O PRO A 215 3.714 26.136 24.715 1.00 0.00 O ATOM 410 CB PRO A 215 3.245 28.969 25.591 1.00 0.00 C ATOM 411 CG PRO A 215 1.779 29.328 25.823 1.00 0.00 C ATOM 412 CD PRO A 215 1.285 29.759 24.441 1.00 0.00 C ATOM 0 HA PRO A 215 4.228 28.530 23.688 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.595 28.226 26.307 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.893 29.839 25.692 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.214 28.476 26.202 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.674 30.130 26.553 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.271 29.401 24.262 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.258 30.846 24.359 1.00 0.00 H new ATOM 420 N ASP A 216 1.891 26.463 23.418 1.00 0.00 N ATOM 421 CA ASP A 216 1.362 25.095 23.460 1.00 0.00 C ATOM 422 C ASP A 216 1.022 24.492 22.085 1.00 0.00 C ATOM 423 O ASP A 216 0.735 23.296 22.018 1.00 0.00 O ATOM 424 CB ASP A 216 0.081 25.064 24.316 1.00 0.00 C ATOM 425 CG ASP A 216 0.224 25.691 25.703 1.00 0.00 C ATOM 426 OD1 ASP A 216 1.084 25.212 26.472 1.00 0.00 O ATOM 427 OD2 ASP A 216 -0.550 26.636 25.974 1.00 0.00 O ATOM 0 H ASP A 216 1.361 27.073 22.795 1.00 0.00 H new ATOM 0 HA ASP A 216 2.164 24.491 23.885 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -0.712 25.583 23.778 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.237 24.028 24.432 1.00 0.00 H new ATOM 432 N CYS A 217 1.019 25.283 21.000 1.00 0.00 N ATOM 433 CA CYS A 217 0.655 24.816 19.668 1.00 0.00 C ATOM 434 C CYS A 217 1.646 23.763 19.172 1.00 0.00 C ATOM 435 O CYS A 217 2.860 23.921 19.286 1.00 0.00 O ATOM 436 CB CYS A 217 0.507 25.992 18.696 1.00 0.00 C ATOM 437 SG CYS A 217 -0.176 25.442 17.109 1.00 0.00 S ATOM 0 H CYS A 217 1.272 26.271 21.031 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.320 24.331 19.722 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.144 26.750 19.133 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.478 26.460 18.535 1.00 0.00 H new ATOM 0 HG CYS A 217 -0.145 26.425 16.259 1.00 0.00 H new ATOM 443 N SER A 218 1.073 22.700 18.604 1.00 0.00 N ATOM 444 CA SER A 218 1.765 21.488 18.164 1.00 0.00 C ATOM 445 C SER A 218 1.772 21.368 16.629 1.00 0.00 C ATOM 446 O SER A 218 2.159 20.334 16.086 1.00 0.00 O ATOM 447 CB SER A 218 1.116 20.284 18.861 1.00 0.00 C ATOM 448 OG SER A 218 1.937 19.138 18.777 1.00 0.00 O ATOM 0 H SER A 218 0.069 22.659 18.431 1.00 0.00 H new ATOM 0 HA SER A 218 2.816 21.528 18.450 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.929 20.524 19.908 1.00 0.00 H new ATOM 0 HB3 SER A 218 0.148 20.075 18.405 1.00 0.00 H new ATOM 0 HG SER A 218 2.248 19.025 17.854 1.00 0.00 H new ATOM 454 N ILE A 219 1.374 22.447 15.937 1.00 0.00 N ATOM 455 CA ILE A 219 1.470 22.602 14.487 1.00 0.00 C ATOM 456 C ILE A 219 2.410 23.782 14.181 1.00 0.00 C ATOM 457 O ILE A 219 3.283 23.635 13.330 1.00 0.00 O ATOM 458 CB ILE A 219 0.064 22.758 13.858 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.919 21.611 14.199 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.149 22.936 12.330 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.549 20.227 13.647 1.00 0.00 C ATOM 0 H ILE A 219 0.963 23.261 16.393 1.00 0.00 H new ATOM 0 HA ILE A 219 1.897 21.708 14.032 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.345 23.661 14.312 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.001 21.539 15.284 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.906 21.880 13.822 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.855 23.043 11.920 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.732 23.828 12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.631 22.064 11.888 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.306 19.502 13.946 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.499 20.271 12.559 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.420 19.924 14.043 1.00 0.00 H new ATOM 473 N GLU A 220 2.269 24.886 14.942 1.00 0.00 N ATOM 474 CA GLU A 220 3.080 26.113 15.027 1.00 0.00 C ATOM 475 C GLU A 220 3.457 26.862 13.729 1.00 0.00 C ATOM 476 O GLU A 220 3.927 27.990 13.836 1.00 0.00 O ATOM 477 CB GLU A 220 4.310 25.889 15.929 1.00 0.00 C ATOM 478 CG GLU A 220 5.386 24.978 15.314 1.00 0.00 C ATOM 479 CD GLU A 220 6.701 25.061 16.089 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.772 24.429 17.165 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.614 25.757 15.591 1.00 0.00 O ATOM 0 H GLU A 220 1.485 24.943 15.592 1.00 0.00 H new ATOM 0 HA GLU A 220 2.378 26.818 15.473 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.757 26.856 16.161 1.00 0.00 H new ATOM 0 HB3 GLU A 220 3.980 25.456 16.873 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.031 23.947 15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.556 25.263 14.276 1.00 0.00 H new ATOM 488 N TRP A 221 3.230 26.301 12.536 1.00 0.00 N ATOM 489 CA TRP A 221 3.323 26.942 11.235 1.00 0.00 C ATOM 490 C TRP A 221 2.173 26.487 10.350 1.00 0.00 C ATOM 491 O TRP A 221 1.781 25.326 10.372 1.00 0.00 O ATOM 492 CB TRP A 221 4.591 26.504 10.541 1.00 0.00 C ATOM 493 CG TRP A 221 5.814 27.262 10.864 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.884 26.781 11.522 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.147 28.619 10.462 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.895 27.709 11.471 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.519 28.835 10.761 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.447 29.661 9.818 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.185 29.988 10.329 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.089 30.867 9.483 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.466 31.019 9.705 1.00 0.00 C ATOM 0 H TRP A 221 2.959 25.321 12.457 1.00 0.00 H new ATOM 0 HA TRP A 221 3.303 28.021 11.388 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.766 25.455 10.781 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.428 26.562 9.465 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.939 25.820 12.012 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.810 27.583 11.903 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.402 29.531 9.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.251 30.084 10.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.520 31.678 9.054 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.969 31.924 9.398 1.00 0.00 H new ATOM 512 N PHE A 222 1.642 27.434 9.581 1.00 0.00 N ATOM 513 CA PHE A 222 0.408 27.316 8.810 1.00 0.00 C ATOM 514 C PHE A 222 0.539 28.149 7.539 1.00 0.00 C ATOM 515 O PHE A 222 1.211 29.181 7.541 1.00 0.00 O ATOM 516 CB PHE A 222 -0.786 27.885 9.616 1.00 0.00 C ATOM 517 CG PHE A 222 -1.259 27.085 10.819 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.385 26.870 11.894 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.583 26.604 10.915 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.760 26.070 12.970 1.00 0.00 C ATOM 521 CE2 PHE A 222 -3.009 25.943 12.085 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.088 25.690 13.119 1.00 0.00 C ATOM 0 H PHE A 222 2.082 28.348 9.474 1.00 0.00 H new ATOM 0 HA PHE A 222 0.238 26.264 8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.516 28.883 9.960 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.629 28.000 8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.592 27.331 11.887 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.269 26.742 10.092 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -0.020 25.746 13.687 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -4.038 25.632 12.188 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.413 25.202 14.026 1.00 0.00 H new ATOM 532 N HIS A 223 -0.152 27.736 6.468 1.00 0.00 N ATOM 533 CA HIS A 223 -0.327 28.611 5.312 1.00 0.00 C ATOM 534 C HIS A 223 -1.187 29.807 5.725 1.00 0.00 C ATOM 535 O HIS A 223 -2.029 29.696 6.619 1.00 0.00 O ATOM 536 CB HIS A 223 -1.021 27.893 4.142 1.00 0.00 C ATOM 537 CG HIS A 223 -0.379 26.626 3.638 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.602 25.339 4.147 1.00 0.00 N ATOM 539 CD2 HIS A 223 0.352 26.534 2.489 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.014 24.513 3.284 1.00 0.00 C ATOM 541 NE2 HIS A 223 0.597 25.199 2.288 1.00 0.00 N ATOM 0 H HIS A 223 -0.590 26.819 6.382 1.00 0.00 H new ATOM 0 HA HIS A 223 0.662 28.926 4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -2.041 27.658 4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.090 28.592 3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 223 0.674 27.352 1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.037 23.437 3.379 1.00 0.00 H new ATOM 0 HE2 HIS A 223 1.129 24.798 1.516 1.00 0.00 H new ATOM 549 N PHE A 224 -1.004 30.934 5.030 1.00 0.00 N ATOM 550 CA PHE A 224 -1.940 32.061 5.115 1.00 0.00 C ATOM 551 C PHE A 224 -3.356 31.566 4.843 1.00 0.00 C ATOM 552 O PHE A 224 -4.251 31.803 5.643 1.00 0.00 O ATOM 553 CB PHE A 224 -1.604 33.163 4.099 1.00 0.00 C ATOM 554 CG PHE A 224 -0.375 34.020 4.328 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.445 33.882 5.466 1.00 0.00 C ATOM 556 CD2 PHE A 224 -0.047 34.978 3.348 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.613 34.652 5.581 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.129 35.737 3.460 1.00 0.00 C ATOM 559 CZ PHE A 224 1.979 35.539 4.558 1.00 0.00 C ATOM 0 H PHE A 224 -0.216 31.091 4.402 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.859 32.480 6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.499 32.690 3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.464 33.830 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.176 33.186 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.705 35.129 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.232 34.561 6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.377 36.469 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.917 36.071 4.616 1.00 0.00 H new ATOM 569 N ALA A 225 -3.538 30.811 3.758 1.00 0.00 N ATOM 570 CA ALA A 225 -4.831 30.284 3.355 1.00 0.00 C ATOM 571 C ALA A 225 -5.367 29.193 4.298 1.00 0.00 C ATOM 572 O ALA A 225 -6.554 28.876 4.225 1.00 0.00 O ATOM 573 CB ALA A 225 -4.731 29.767 1.917 1.00 0.00 C ATOM 0 H ALA A 225 -2.778 30.548 3.130 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.553 31.098 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.697 29.369 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.445 30.585 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.980 28.979 1.865 1.00 0.00 H new ATOM 579 N CYS A 226 -4.532 28.653 5.203 1.00 0.00 N ATOM 580 CA CYS A 226 -4.973 27.748 6.265 1.00 0.00 C ATOM 581 C CYS A 226 -5.848 28.452 7.322 1.00 0.00 C ATOM 582 O CYS A 226 -6.533 27.769 8.078 1.00 0.00 O ATOM 583 CB CYS A 226 -3.748 27.098 6.908 1.00 0.00 C ATOM 584 SG CYS A 226 -4.126 25.444 7.536 1.00 0.00 S ATOM 0 H CYS A 226 -3.529 28.836 5.213 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.605 26.981 5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.942 27.035 6.176 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.389 27.725 7.724 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.059 24.929 8.071 1.00 0.00 H new ATOM 590 N VAL A 227 -5.853 29.797 7.342 1.00 0.00 N ATOM 591 CA VAL A 227 -6.694 30.653 8.184 1.00 0.00 C ATOM 592 C VAL A 227 -7.480 31.693 7.368 1.00 0.00 C ATOM 593 O VAL A 227 -8.376 32.353 7.892 1.00 0.00 O ATOM 594 CB VAL A 227 -5.822 31.293 9.287 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.906 32.428 8.803 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.654 31.792 10.480 1.00 0.00 C ATOM 0 H VAL A 227 -5.236 30.340 6.738 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.457 30.037 8.660 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.178 30.473 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.332 32.816 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.223 32.046 8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.512 33.228 8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.993 32.233 11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.366 32.543 10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.194 30.955 10.923 1.00 0.00 H new ATOM 606 N GLY A 228 -7.143 31.817 6.080 1.00 0.00 N ATOM 607 CA GLY A 228 -7.759 32.731 5.125 1.00 0.00 C ATOM 608 C GLY A 228 -7.051 34.089 5.035 1.00 0.00 C ATOM 609 O GLY A 228 -7.677 35.057 4.602 1.00 0.00 O ATOM 0 H GLY A 228 -6.401 31.257 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.763 32.266 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.800 32.891 5.406 1.00 0.00 H new ATOM 613 N LEU A 229 -5.780 34.183 5.464 1.00 0.00 N ATOM 614 CA LEU A 229 -5.008 35.420 5.436 1.00 0.00 C ATOM 615 C LEU A 229 -4.657 35.847 4.004 1.00 0.00 C ATOM 616 O LEU A 229 -4.678 35.041 3.072 1.00 0.00 O ATOM 617 CB LEU A 229 -3.743 35.288 6.312 1.00 0.00 C ATOM 618 CG LEU A 229 -3.906 35.908 7.714 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.711 35.513 8.588 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.988 37.442 7.660 1.00 0.00 C ATOM 0 H LEU A 229 -5.262 33.390 5.842 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.633 36.210 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.490 34.233 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.906 35.768 5.805 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.838 35.529 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.825 35.951 9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.666 34.427 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.791 35.880 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.102 37.836 8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.075 37.840 7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.845 37.740 7.055 1.00 0.00 H new ATOM 632 N THR A 230 -4.318 37.136 3.856 1.00 0.00 N ATOM 633 CA THR A 230 -4.048 37.797 2.574 1.00 0.00 C ATOM 634 C THR A 230 -2.848 38.753 2.680 1.00 0.00 C ATOM 635 O THR A 230 -2.130 38.923 1.695 1.00 0.00 O ATOM 636 CB THR A 230 -5.321 38.545 2.121 1.00 0.00 C ATOM 637 OG1 THR A 230 -6.391 37.636 1.951 1.00 0.00 O ATOM 638 CG2 THR A 230 -5.151 39.302 0.797 1.00 0.00 C ATOM 0 H THR A 230 -4.222 37.766 4.652 1.00 0.00 H new ATOM 0 HA THR A 230 -3.787 37.045 1.829 1.00 0.00 H new ATOM 0 HB THR A 230 -5.525 39.270 2.909 1.00 0.00 H new ATOM 0 HG1 THR A 230 -7.192 38.123 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 230 -6.085 39.803 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.358 40.043 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.889 38.599 0.007 1.00 0.00 H new ATOM 646 N THR A 231 -2.597 39.330 3.867 1.00 0.00 N ATOM 647 CA THR A 231 -1.485 40.240 4.142 1.00 0.00 C ATOM 648 C THR A 231 -0.954 39.912 5.539 1.00 0.00 C ATOM 649 O THR A 231 -1.715 39.923 6.506 1.00 0.00 O ATOM 650 CB THR A 231 -1.953 41.707 4.057 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.496 41.982 2.782 1.00 0.00 O ATOM 652 CG2 THR A 231 -0.804 42.692 4.304 1.00 0.00 C ATOM 0 H THR A 231 -3.185 39.167 4.685 1.00 0.00 H new ATOM 0 HA THR A 231 -0.694 40.113 3.403 1.00 0.00 H new ATOM 0 HB THR A 231 -2.708 41.836 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.789 42.916 2.746 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.179 43.713 4.235 1.00 0.00 H new ATOM 0 HG22 THR A 231 -0.389 42.525 5.298 1.00 0.00 H new ATOM 0 HG23 THR A 231 -0.027 42.539 3.555 1.00 0.00 H new ATOM 660 N LYS A 232 0.347 39.603 5.626 1.00 0.00 N ATOM 661 CA LYS A 232 0.977 39.058 6.824 1.00 0.00 C ATOM 662 C LYS A 232 0.969 40.075 7.987 1.00 0.00 C ATOM 663 O LYS A 232 1.544 41.154 7.837 1.00 0.00 O ATOM 664 CB LYS A 232 2.412 38.621 6.485 1.00 0.00 C ATOM 665 CG LYS A 232 2.961 37.647 7.543 1.00 0.00 C ATOM 666 CD LYS A 232 4.392 37.174 7.254 1.00 0.00 C ATOM 667 CE LYS A 232 5.399 38.324 7.353 1.00 0.00 C ATOM 668 NZ LYS A 232 6.776 37.857 7.107 1.00 0.00 N ATOM 0 H LYS A 232 0.997 39.729 4.850 1.00 0.00 H new ATOM 0 HA LYS A 232 0.403 38.193 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.428 38.144 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.057 39.497 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 232 2.937 38.132 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.305 36.779 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 232 4.665 36.389 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 232 4.436 36.736 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.141 39.098 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.339 38.778 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 7.433 38.660 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.029 37.136 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 6.838 37.446 6.154 1.00 0.00 H new ATOM 682 N PRO A 233 0.368 39.745 9.150 1.00 0.00 N ATOM 683 CA PRO A 233 0.461 40.534 10.377 1.00 0.00 C ATOM 684 C PRO A 233 1.804 40.290 11.098 1.00 0.00 C ATOM 685 O PRO A 233 2.666 39.558 10.607 1.00 0.00 O ATOM 686 CB PRO A 233 -0.735 40.062 11.215 1.00 0.00 C ATOM 687 CG PRO A 233 -0.816 38.578 10.871 1.00 0.00 C ATOM 688 CD PRO A 233 -0.443 38.559 9.389 1.00 0.00 C ATOM 0 HA PRO A 233 0.432 41.608 10.192 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.572 40.223 12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.650 40.591 10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -0.126 37.985 11.470 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.814 38.176 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.111 37.654 9.140 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.336 38.568 8.764 1.00 0.00 H new ATOM 696 N ARG A 234 1.968 40.877 12.291 1.00 0.00 N ATOM 697 CA ARG A 234 3.071 40.617 13.197 1.00 0.00 C ATOM 698 C ARG A 234 2.561 40.715 14.636 1.00 0.00 C ATOM 699 O ARG A 234 1.619 41.450 14.935 1.00 0.00 O ATOM 700 CB ARG A 234 4.211 41.622 12.953 1.00 0.00 C ATOM 701 CG ARG A 234 5.544 40.891 12.724 1.00 0.00 C ATOM 702 CD ARG A 234 6.748 41.839 12.797 1.00 0.00 C ATOM 703 NE ARG A 234 7.024 42.271 14.180 1.00 0.00 N ATOM 704 CZ ARG A 234 7.691 41.567 15.109 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.214 40.367 14.844 1.00 0.00 N ATOM 706 NH2 ARG A 234 7.834 42.071 16.335 1.00 0.00 N ATOM 0 H ARG A 234 1.310 41.566 12.654 1.00 0.00 H new ATOM 0 HA ARG A 234 3.465 39.616 13.021 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.977 42.241 12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 234 4.301 42.292 13.808 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.658 40.105 13.470 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.526 40.404 11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 234 7.628 41.341 12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.560 42.713 12.174 1.00 0.00 H new ATOM 0 HE ARG A 234 6.676 43.189 14.456 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.112 39.960 13.914 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.715 39.857 15.572 1.00 0.00 H new ATOM 0 HH21 ARG A 234 7.438 42.984 16.561 1.00 0.00 H new ATOM 0 HH22 ARG A 234 8.339 41.544 17.047 1.00 0.00 H new ATOM 720 N GLY A 235 3.221 39.962 15.514 1.00 0.00 N ATOM 721 CA GLY A 235 2.886 39.845 16.928 1.00 0.00 C ATOM 722 C GLY A 235 1.996 38.630 17.194 1.00 0.00 C ATOM 723 O GLY A 235 2.007 37.661 16.432 1.00 0.00 O ATOM 0 H GLY A 235 4.030 39.399 15.250 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.801 39.762 17.514 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.376 40.750 17.258 1.00 0.00 H new ATOM 727 N LYS A 236 1.238 38.699 18.297 1.00 0.00 N ATOM 728 CA LYS A 236 0.295 37.680 18.742 1.00 0.00 C ATOM 729 C LYS A 236 -0.752 37.393 17.661 1.00 0.00 C ATOM 730 O LYS A 236 -1.647 38.200 17.411 1.00 0.00 O ATOM 731 CB LYS A 236 -0.298 38.112 20.099 1.00 0.00 C ATOM 732 CG LYS A 236 -1.294 37.155 20.781 1.00 0.00 C ATOM 733 CD LYS A 236 -2.718 37.173 20.197 1.00 0.00 C ATOM 734 CE LYS A 236 -3.785 36.824 21.243 1.00 0.00 C ATOM 735 NZ LYS A 236 -3.596 35.484 21.829 1.00 0.00 N ATOM 0 H LYS A 236 1.271 39.502 18.925 1.00 0.00 H new ATOM 0 HA LYS A 236 0.801 36.728 18.900 1.00 0.00 H new ATOM 0 HB2 LYS A 236 0.529 38.282 20.788 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -0.797 39.071 19.957 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.903 36.140 20.714 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.349 37.406 21.840 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -2.926 38.161 19.785 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.778 36.464 19.371 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.765 37.569 22.038 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -4.771 36.878 20.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -4.521 35.022 21.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -2.999 34.911 21.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -3.135 35.573 22.757 1.00 0.00 H new ATOM 749 N TRP A 237 -0.631 36.205 17.060 1.00 0.00 N ATOM 750 CA TRP A 237 -1.597 35.600 16.162 1.00 0.00 C ATOM 751 C TRP A 237 -1.832 34.165 16.622 1.00 0.00 C ATOM 752 O TRP A 237 -0.887 33.399 16.816 1.00 0.00 O ATOM 753 CB TRP A 237 -1.064 35.627 14.729 1.00 0.00 C ATOM 754 CG TRP A 237 -1.855 34.818 13.749 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.941 35.219 13.065 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.658 33.428 13.372 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.448 34.169 12.319 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.699 33.018 12.490 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.687 32.476 13.714 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.792 31.695 12.014 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.768 31.160 13.235 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.826 30.755 12.424 1.00 0.00 C ATOM 0 H TRP A 237 0.190 35.615 17.200 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.536 36.153 16.180 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.036 36.661 14.386 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.036 35.265 14.732 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.357 36.215 13.094 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.270 34.235 11.719 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.135 32.760 14.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.590 31.406 11.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.002 30.450 13.499 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.905 29.724 12.111 1.00 0.00 H new ATOM 773 N PHE A 238 -3.110 33.811 16.778 1.00 0.00 N ATOM 774 CA PHE A 238 -3.551 32.494 17.211 1.00 0.00 C ATOM 775 C PHE A 238 -4.379 31.887 16.080 1.00 0.00 C ATOM 776 O PHE A 238 -5.320 32.497 15.572 1.00 0.00 O ATOM 777 CB PHE A 238 -4.322 32.584 18.542 1.00 0.00 C ATOM 778 CG PHE A 238 -3.473 32.498 19.810 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.287 33.250 19.958 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.887 31.668 20.872 1.00 0.00 C ATOM 781 CE1 PHE A 238 -1.520 33.156 21.132 1.00 0.00 C ATOM 782 CE2 PHE A 238 -3.124 31.582 22.052 1.00 0.00 C ATOM 783 CZ PHE A 238 -1.940 32.328 22.182 1.00 0.00 C ATOM 0 H PHE A 238 -3.882 34.453 16.601 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.700 31.842 17.411 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.872 33.525 18.559 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.061 31.783 18.567 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -1.966 33.904 19.161 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.797 31.094 20.779 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -0.605 33.723 21.225 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -3.449 30.942 22.859 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.356 32.263 23.088 1.00 0.00 H new ATOM 793 N CYS A 239 -3.958 30.679 15.692 1.00 0.00 N ATOM 794 CA CYS A 239 -4.438 29.887 14.566 1.00 0.00 C ATOM 795 C CYS A 239 -5.946 29.566 14.626 1.00 0.00 C ATOM 796 O CYS A 239 -6.587 29.863 15.637 1.00 0.00 O ATOM 797 CB CYS A 239 -3.508 28.671 14.496 1.00 0.00 C ATOM 798 SG CYS A 239 -3.988 27.350 15.637 1.00 0.00 S ATOM 0 H CYS A 239 -3.216 30.197 16.199 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.388 30.446 13.632 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.504 28.281 13.478 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.489 28.986 14.721 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.531 26.213 15.202 1.00 0.00 H new ATOM 804 N PRO A 240 -6.554 28.983 13.570 1.00 0.00 N ATOM 805 CA PRO A 240 -8.005 28.856 13.506 1.00 0.00 C ATOM 806 C PRO A 240 -8.565 27.916 14.576 1.00 0.00 C ATOM 807 O PRO A 240 -9.632 28.193 15.114 1.00 0.00 O ATOM 808 CB PRO A 240 -8.343 28.374 12.093 1.00 0.00 C ATOM 809 CG PRO A 240 -7.053 27.710 11.625 1.00 0.00 C ATOM 810 CD PRO A 240 -5.955 28.495 12.338 1.00 0.00 C ATOM 0 HA PRO A 240 -8.472 29.819 13.712 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.177 27.672 12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.627 29.202 11.444 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.027 26.654 11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.945 27.766 10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.093 27.861 12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.601 29.321 11.721 1.00 0.00 H new ATOM 818 N ARG A 241 -7.822 26.861 14.938 1.00 0.00 N ATOM 819 CA ARG A 241 -8.184 25.905 15.981 1.00 0.00 C ATOM 820 C ARG A 241 -7.906 26.436 17.399 1.00 0.00 C ATOM 821 O ARG A 241 -8.010 25.682 18.365 1.00 0.00 O ATOM 822 CB ARG A 241 -7.499 24.555 15.704 1.00 0.00 C ATOM 823 CG ARG A 241 -8.001 23.954 14.379 1.00 0.00 C ATOM 824 CD ARG A 241 -7.521 22.514 14.191 1.00 0.00 C ATOM 825 NE ARG A 241 -8.057 21.955 12.938 1.00 0.00 N ATOM 826 CZ ARG A 241 -8.413 20.680 12.721 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.292 19.741 13.662 1.00 0.00 N ATOM 828 NH2 ARG A 241 -8.907 20.338 11.531 1.00 0.00 N ATOM 0 H ARG A 241 -6.927 26.647 14.497 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.263 25.754 15.948 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.418 24.691 15.661 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.701 23.864 16.522 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -9.090 23.980 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.651 24.565 13.547 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.432 22.486 14.173 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -7.841 21.904 15.036 1.00 0.00 H new ATOM 0 HE ARG A 241 -8.169 22.602 12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -7.919 19.984 14.580 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -8.572 18.781 13.463 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -9.010 21.042 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -9.182 19.372 11.351 1.00 0.00 H new ATOM 842 N CYS A 242 -7.564 27.727 17.524 1.00 0.00 N ATOM 843 CA CYS A 242 -7.165 28.393 18.749 1.00 0.00 C ATOM 844 C CYS A 242 -7.896 29.718 19.009 1.00 0.00 C ATOM 845 O CYS A 242 -7.800 30.241 20.119 1.00 0.00 O ATOM 846 CB CYS A 242 -5.664 28.659 18.644 1.00 0.00 C ATOM 847 SG CYS A 242 -4.707 27.164 19.009 1.00 0.00 S ATOM 0 H CYS A 242 -7.562 28.359 16.723 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.425 27.744 19.585 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.424 29.012 17.641 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.383 29.452 19.337 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.136 26.738 17.921 1.00 0.00 H new ATOM 853 N SER A 243 -8.615 30.259 18.017 1.00 0.00 N ATOM 854 CA SER A 243 -9.381 31.500 18.147 1.00 0.00 C ATOM 855 C SER A 243 -10.576 31.551 17.190 1.00 0.00 C ATOM 856 O SER A 243 -11.648 32.008 17.585 1.00 0.00 O ATOM 857 CB SER A 243 -8.435 32.682 17.885 1.00 0.00 C ATOM 858 OG SER A 243 -9.100 33.912 18.079 1.00 0.00 O ATOM 0 H SER A 243 -8.680 29.839 17.090 1.00 0.00 H new ATOM 0 HA SER A 243 -9.790 31.551 19.156 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.575 32.620 18.552 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.052 32.628 16.866 1.00 0.00 H new ATOM 0 HG SER A 243 -8.479 34.650 17.908 1.00 0.00 H new ATOM 864 N GLN A 244 -10.407 31.071 15.950 1.00 0.00 N ATOM 865 CA GLN A 244 -11.449 31.144 14.919 1.00 0.00 C ATOM 866 C GLN A 244 -12.551 30.079 15.097 1.00 0.00 C ATOM 867 O GLN A 244 -13.617 30.211 14.494 1.00 0.00 O ATOM 868 CB GLN A 244 -10.803 31.059 13.528 1.00 0.00 C ATOM 869 CG GLN A 244 -11.681 31.606 12.389 1.00 0.00 C ATOM 870 CD GLN A 244 -11.951 30.538 11.330 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.267 30.477 10.313 1.00 0.00 O ATOM 872 NE2 GLN A 244 -12.935 29.677 11.576 1.00 0.00 N ATOM 0 H GLN A 244 -9.547 30.623 15.635 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.952 32.105 15.025 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.862 31.609 13.543 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.560 30.018 13.316 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -12.627 31.964 12.796 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.189 32.462 11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -13.482 29.759 12.433 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -13.142 28.935 10.908 1.00 0.00 H new ATOM 881 N GLU A 245 -12.337 29.060 15.948 1.00 0.00 N ATOM 882 CA GLU A 245 -13.364 28.082 16.324 1.00 0.00 C ATOM 883 C GLU A 245 -14.529 28.716 17.102 1.00 0.00 C ATOM 884 O GLU A 245 -15.601 28.115 17.168 1.00 0.00 O ATOM 885 CB GLU A 245 -12.726 26.942 17.136 1.00 0.00 C ATOM 886 CG GLU A 245 -12.018 25.908 16.249 1.00 0.00 C ATOM 887 CD GLU A 245 -13.006 25.010 15.505 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.398 25.385 14.377 1.00 0.00 O ATOM 889 OE2 GLU A 245 -13.362 23.955 16.075 1.00 0.00 O ATOM 0 H GLU A 245 -11.436 28.894 16.397 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.787 27.682 15.403 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -12.009 27.361 17.842 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.497 26.444 17.723 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -11.385 26.424 15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -11.363 25.292 16.865 1.00 0.00 H new