USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 535 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 216 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 223 SER OG : rot -160:sc= 0.0106 USER MOD Set 2.1: A 205 GLN : amide:sc=-0.00747 X(o=-0.0075,f=-0.015) USER MOD Set 2.2: A 209 ASN : amide:sc= 0 X(o=-0.0075,f=-0.093) USER MOD Single : A 152 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0664) USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 159 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.39) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.079 K(o=-0.079,f=-1.6!) USER MOD Single : A 162 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc=-0.00463 X(o=-0.0046,f=0.0017) USER MOD Single : A 180 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 THR OG1 : rot 7:sc= 0.396 USER MOD Single : A 190 SER OG : rot 28:sc= 0.324 USER MOD Single : A 191 LYS NZ :NH3+ 152:sc= -0.063 (180deg=-1.17) USER MOD Single : A 193 CYS SG : rot 16:sc= 0.363 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 TYR OH : rot -140:sc= -1.29 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 201 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.15) USER MOD Single : A 212 HIS : no HE2:sc= -0.473 K(o=-0.47,f=-9.9!) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 217 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.407) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 6.195 1.766 3.208 1.00 0.00 N ATOM 218 CA LYS A 152 4.850 2.275 2.969 1.00 0.00 C ATOM 219 C LYS A 152 4.253 1.663 1.706 1.00 0.00 C ATOM 220 O LYS A 152 4.974 1.124 0.865 1.00 0.00 O ATOM 221 CB LYS A 152 4.873 3.800 2.848 1.00 0.00 C ATOM 222 CG LYS A 152 3.494 4.436 2.905 1.00 0.00 C ATOM 223 CD LYS A 152 3.565 5.881 3.369 1.00 0.00 C ATOM 224 CE LYS A 152 3.798 6.830 2.204 1.00 0.00 C ATOM 225 NZ LYS A 152 5.249 7.031 1.934 1.00 0.00 N ATOM 0 HA LYS A 152 4.226 1.994 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.487 4.210 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.352 4.074 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 152 3.031 4.392 1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.857 3.866 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.638 6.147 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 152 4.369 5.992 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 152 3.314 6.435 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 152 3.332 7.791 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 5.430 8.036 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 5.801 6.736 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 5.531 6.462 1.111 1.00 0.00 H new ATOM 239 N LEU A 153 2.934 1.750 1.577 1.00 0.00 N ATOM 240 CA LEU A 153 2.241 1.206 0.415 1.00 0.00 C ATOM 241 C LEU A 153 1.174 2.175 -0.085 1.00 0.00 C ATOM 242 O LEU A 153 0.478 2.811 0.707 1.00 0.00 O ATOM 243 CB LEU A 153 1.602 -0.140 0.761 1.00 0.00 C ATOM 244 CG LEU A 153 2.569 -1.298 1.007 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.860 -2.447 1.706 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.184 -1.767 -0.304 1.00 0.00 C ATOM 0 H LEU A 153 2.323 2.192 2.263 1.00 0.00 H new ATOM 0 HA LEU A 153 2.974 1.060 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.988 -0.010 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.930 -0.420 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 153 3.371 -0.945 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.565 -3.262 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.469 -2.104 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 153 1.038 -2.800 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.870 -2.592 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.395 -2.102 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.729 -0.943 -0.766 1.00 0.00 H new ATOM 258 N PHE A 154 1.048 2.280 -1.404 1.00 0.00 N ATOM 259 CA PHE A 154 0.065 3.169 -2.010 1.00 0.00 C ATOM 260 C PHE A 154 -1.088 2.374 -2.616 1.00 0.00 C ATOM 261 O PHE A 154 -0.885 1.535 -3.493 1.00 0.00 O ATOM 262 CB PHE A 154 0.723 4.035 -3.086 1.00 0.00 C ATOM 263 CG PHE A 154 -0.259 4.822 -3.906 1.00 0.00 C ATOM 264 CD1 PHE A 154 -1.097 5.748 -3.306 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.343 4.637 -5.276 1.00 0.00 C ATOM 266 CE1 PHE A 154 -2.002 6.473 -4.058 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.245 5.360 -6.034 1.00 0.00 C ATOM 268 CZ PHE A 154 -2.075 6.280 -5.424 1.00 0.00 C ATOM 0 H PHE A 154 1.615 1.760 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.334 3.815 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.421 4.724 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.307 3.396 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -1.042 5.905 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.304 3.919 -5.758 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.652 7.190 -3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.301 5.206 -7.101 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.780 6.847 -6.014 1.00 0.00 H new ATOM 278 N VAL A 155 -2.300 2.644 -2.140 1.00 0.00 N ATOM 279 CA VAL A 155 -3.486 1.955 -2.634 1.00 0.00 C ATOM 280 C VAL A 155 -4.371 2.895 -3.444 1.00 0.00 C ATOM 281 O VAL A 155 -4.665 4.010 -3.015 1.00 0.00 O ATOM 282 CB VAL A 155 -4.311 1.359 -1.478 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.444 0.500 -2.018 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.419 0.555 -0.546 1.00 0.00 C ATOM 0 H VAL A 155 -2.486 3.335 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.137 1.146 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.749 2.178 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -6.016 0.087 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -6.098 1.110 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -5.031 -0.314 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -4.019 0.141 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.951 -0.257 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.647 1.204 -0.132 1.00 0.00 H new ATOM 294 N GLY A 156 -4.793 2.437 -4.619 1.00 0.00 N ATOM 295 CA GLY A 156 -5.641 3.250 -5.470 1.00 0.00 C ATOM 296 C GLY A 156 -6.831 2.481 -6.008 1.00 0.00 C ATOM 297 O GLY A 156 -7.196 1.435 -5.472 1.00 0.00 O ATOM 0 H GLY A 156 -4.563 1.518 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.995 4.113 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -5.053 3.633 -6.304 1.00 0.00 H new ATOM 301 N MET A 157 -7.439 3.000 -7.070 1.00 0.00 N ATOM 302 CA MET A 157 -8.596 2.355 -7.680 1.00 0.00 C ATOM 303 C MET A 157 -9.635 1.991 -6.624 1.00 0.00 C ATOM 304 O MET A 157 -10.368 1.012 -6.771 1.00 0.00 O ATOM 305 CB MET A 157 -8.164 1.100 -8.441 1.00 0.00 C ATOM 306 CG MET A 157 -7.520 1.396 -9.786 1.00 0.00 C ATOM 307 SD MET A 157 -8.685 2.091 -10.974 1.00 0.00 S ATOM 308 CE MET A 157 -7.631 2.280 -12.410 1.00 0.00 C ATOM 0 H MET A 157 -7.150 3.865 -7.526 1.00 0.00 H new ATOM 0 HA MET A 157 -9.046 3.059 -8.380 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.461 0.537 -7.827 1.00 0.00 H new ATOM 0 HB3 MET A 157 -9.034 0.462 -8.597 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.693 2.092 -9.644 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.097 0.477 -10.192 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.209 2.701 -13.233 1.00 0.00 H new ATOM 0 HE2 MET A 157 -6.804 2.948 -12.169 1.00 0.00 H new ATOM 0 HE3 MET A 157 -7.238 1.307 -12.703 1.00 0.00 H new ATOM 318 N LEU A 158 -9.693 2.784 -5.560 1.00 0.00 N ATOM 319 CA LEU A 158 -10.643 2.545 -4.479 1.00 0.00 C ATOM 320 C LEU A 158 -11.948 3.295 -4.725 1.00 0.00 C ATOM 321 O LEU A 158 -12.018 4.173 -5.584 1.00 0.00 O ATOM 322 CB LEU A 158 -10.040 2.972 -3.140 1.00 0.00 C ATOM 323 CG LEU A 158 -8.914 2.091 -2.599 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.250 2.749 -1.400 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.446 0.715 -2.227 1.00 0.00 C ATOM 0 H LEU A 158 -9.094 3.598 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.860 1.477 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.661 3.989 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.838 3.003 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 158 -8.165 1.970 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.451 2.107 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.834 3.711 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.989 2.901 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.631 0.101 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -10.215 0.817 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.874 0.240 -3.110 1.00 0.00 H new ATOM 337 N ASN A 159 -12.979 2.945 -3.963 1.00 0.00 N ATOM 338 CA ASN A 159 -14.282 3.586 -4.097 1.00 0.00 C ATOM 339 C ASN A 159 -14.574 4.481 -2.896 1.00 0.00 C ATOM 340 O ASN A 159 -14.028 4.280 -1.810 1.00 0.00 O ATOM 341 CB ASN A 159 -15.381 2.532 -4.240 1.00 0.00 C ATOM 342 CG ASN A 159 -16.683 3.119 -4.748 1.00 0.00 C ATOM 343 OD1 ASN A 159 -17.575 3.451 -3.966 1.00 0.00 O ATOM 344 ND2 ASN A 159 -16.799 3.250 -6.065 1.00 0.00 N ATOM 0 H ASN A 159 -12.937 2.221 -3.246 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.263 4.205 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.046 1.752 -4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.552 2.057 -3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -17.653 3.639 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -16.034 2.962 -6.675 1.00 0.00 H new ATOM 351 N LYS A 160 -15.438 5.470 -3.098 1.00 0.00 N ATOM 352 CA LYS A 160 -15.805 6.396 -2.033 1.00 0.00 C ATOM 353 C LYS A 160 -16.872 5.788 -1.128 1.00 0.00 C ATOM 354 O LYS A 160 -17.846 6.451 -0.771 1.00 0.00 O ATOM 355 CB LYS A 160 -16.312 7.712 -2.625 1.00 0.00 C ATOM 356 CG LYS A 160 -15.261 8.466 -3.421 1.00 0.00 C ATOM 357 CD LYS A 160 -15.882 9.573 -4.257 1.00 0.00 C ATOM 358 CE LYS A 160 -14.942 10.030 -5.363 1.00 0.00 C ATOM 359 NZ LYS A 160 -14.964 9.102 -6.527 1.00 0.00 N ATOM 0 H LYS A 160 -15.898 5.651 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 160 -14.916 6.594 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.166 7.505 -3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.671 8.350 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.524 8.893 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -14.729 7.772 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -16.816 9.220 -4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.130 10.419 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -15.225 11.030 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -13.927 10.098 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.311 9.448 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -14.669 8.153 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -15.927 9.056 -6.916 1.00 0.00 H new ATOM 373 N GLN A 161 -16.681 4.525 -0.761 1.00 0.00 N ATOM 374 CA GLN A 161 -17.628 3.830 0.103 1.00 0.00 C ATOM 375 C GLN A 161 -16.916 3.199 1.295 1.00 0.00 C ATOM 376 O GLN A 161 -17.354 3.340 2.436 1.00 0.00 O ATOM 377 CB GLN A 161 -18.377 2.755 -0.686 1.00 0.00 C ATOM 378 CG GLN A 161 -19.336 1.935 0.161 1.00 0.00 C ATOM 379 CD GLN A 161 -19.742 0.636 -0.508 1.00 0.00 C ATOM 380 OE1 GLN A 161 -19.020 0.108 -1.354 1.00 0.00 O ATOM 381 NE2 GLN A 161 -20.904 0.115 -0.133 1.00 0.00 N ATOM 0 H GLN A 161 -15.880 3.963 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.344 4.562 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -18.934 3.231 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.652 2.086 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -18.869 1.714 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -20.228 2.526 0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -21.471 0.587 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -21.230 -0.757 -0.550 1.00 0.00 H new ATOM 390 N GLN A 162 -15.817 2.503 1.021 1.00 0.00 N ATOM 391 CA GLN A 162 -15.046 1.849 2.071 1.00 0.00 C ATOM 392 C GLN A 162 -14.564 2.863 3.104 1.00 0.00 C ATOM 393 O GLN A 162 -14.543 4.066 2.844 1.00 0.00 O ATOM 394 CB GLN A 162 -13.850 1.110 1.469 1.00 0.00 C ATOM 395 CG GLN A 162 -14.232 0.117 0.383 1.00 0.00 C ATOM 396 CD GLN A 162 -14.518 -1.267 0.932 1.00 0.00 C ATOM 397 OE1 GLN A 162 -15.059 -1.413 2.028 1.00 0.00 O ATOM 398 NE2 GLN A 162 -14.156 -2.292 0.170 1.00 0.00 N ATOM 0 H GLN A 162 -15.441 2.378 0.081 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.696 1.130 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.154 1.839 1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -13.322 0.582 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -15.112 0.483 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -13.425 0.055 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -13.710 -2.125 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -14.324 -3.247 0.487 1.00 0.00 H new ATOM 407 N SER A 163 -14.180 2.369 4.276 1.00 0.00 N ATOM 408 CA SER A 163 -13.703 3.232 5.350 1.00 0.00 C ATOM 409 C SER A 163 -12.444 2.656 5.991 1.00 0.00 C ATOM 410 O SER A 163 -12.018 1.550 5.663 1.00 0.00 O ATOM 411 CB SER A 163 -14.792 3.412 6.410 1.00 0.00 C ATOM 412 OG SER A 163 -15.851 4.216 5.921 1.00 0.00 O ATOM 0 H SER A 163 -14.190 1.375 4.506 1.00 0.00 H new ATOM 0 HA SER A 163 -13.459 4.204 4.921 1.00 0.00 H new ATOM 0 HB2 SER A 163 -15.179 2.437 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 163 -14.364 3.871 7.301 1.00 0.00 H new ATOM 0 HG SER A 163 -16.535 4.315 6.616 1.00 0.00 H new ATOM 418 N GLU A 164 -11.853 3.417 6.908 1.00 0.00 N ATOM 419 CA GLU A 164 -10.642 2.983 7.595 1.00 0.00 C ATOM 420 C GLU A 164 -10.821 1.586 8.182 1.00 0.00 C ATOM 421 O GLU A 164 -9.884 0.788 8.209 1.00 0.00 O ATOM 422 CB GLU A 164 -10.276 3.971 8.704 1.00 0.00 C ATOM 423 CG GLU A 164 -9.687 5.273 8.189 1.00 0.00 C ATOM 424 CD GLU A 164 -10.746 6.321 7.905 1.00 0.00 C ATOM 425 OE1 GLU A 164 -11.310 6.308 6.791 1.00 0.00 O ATOM 426 OE2 GLU A 164 -11.011 7.153 8.798 1.00 0.00 O ATOM 0 H GLU A 164 -12.193 4.336 7.192 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.833 2.951 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.168 4.192 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.560 3.499 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -8.982 5.664 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.122 5.076 7.278 1.00 0.00 H new ATOM 433 N ASP A 165 -12.030 1.298 8.652 1.00 0.00 N ATOM 434 CA ASP A 165 -12.333 -0.002 9.238 1.00 0.00 C ATOM 435 C ASP A 165 -12.184 -1.113 8.204 1.00 0.00 C ATOM 436 O ASP A 165 -11.309 -1.971 8.320 1.00 0.00 O ATOM 437 CB ASP A 165 -13.751 -0.009 9.812 1.00 0.00 C ATOM 438 CG ASP A 165 -13.906 0.943 10.982 1.00 0.00 C ATOM 439 OD1 ASP A 165 -12.925 1.126 11.733 1.00 0.00 O ATOM 440 OD2 ASP A 165 -15.009 1.505 11.147 1.00 0.00 O ATOM 0 H ASP A 165 -12.816 1.948 8.638 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.622 -0.183 10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -14.458 0.264 9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -14.005 -1.019 10.133 1.00 0.00 H new ATOM 445 N ASP A 166 -13.046 -1.092 7.193 1.00 0.00 N ATOM 446 CA ASP A 166 -13.011 -2.097 6.137 1.00 0.00 C ATOM 447 C ASP A 166 -11.575 -2.391 5.713 1.00 0.00 C ATOM 448 O ASP A 166 -11.123 -3.535 5.763 1.00 0.00 O ATOM 449 CB ASP A 166 -13.827 -1.629 4.931 1.00 0.00 C ATOM 450 CG ASP A 166 -15.254 -1.275 5.299 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.971 -2.160 5.812 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.654 -0.114 5.074 1.00 0.00 O ATOM 0 H ASP A 166 -13.778 -0.390 7.083 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.450 -3.015 6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.344 -0.760 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.834 -2.414 4.174 1.00 0.00 H new ATOM 457 N VAL A 167 -10.863 -1.349 5.295 1.00 0.00 N ATOM 458 CA VAL A 167 -9.478 -1.495 4.862 1.00 0.00 C ATOM 459 C VAL A 167 -8.594 -1.984 6.004 1.00 0.00 C ATOM 460 O VAL A 167 -7.974 -3.043 5.912 1.00 0.00 O ATOM 461 CB VAL A 167 -8.915 -0.165 4.324 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.432 -0.300 4.014 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.688 0.280 3.092 1.00 0.00 C ATOM 0 H VAL A 167 -11.222 -0.395 5.247 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.473 -2.234 4.061 1.00 0.00 H new ATOM 0 HB VAL A 167 -9.032 0.598 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -7.052 0.649 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.894 -0.570 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.287 -1.075 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.277 1.221 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.604 -0.480 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.738 0.419 3.351 1.00 0.00 H new ATOM 473 N ARG A 168 -8.541 -1.205 7.079 1.00 0.00 N ATOM 474 CA ARG A 168 -7.732 -1.558 8.239 1.00 0.00 C ATOM 475 C ARG A 168 -7.728 -3.068 8.460 1.00 0.00 C ATOM 476 O ARG A 168 -6.686 -3.716 8.365 1.00 0.00 O ATOM 477 CB ARG A 168 -8.258 -0.850 9.489 1.00 0.00 C ATOM 478 CG ARG A 168 -7.577 -1.294 10.773 1.00 0.00 C ATOM 479 CD ARG A 168 -8.368 -0.868 12.000 1.00 0.00 C ATOM 480 NE ARG A 168 -8.141 0.535 12.337 1.00 0.00 N ATOM 481 CZ ARG A 168 -7.020 0.986 12.890 1.00 0.00 C ATOM 482 NH1 ARG A 168 -6.030 0.149 13.167 1.00 0.00 N ATOM 483 NH2 ARG A 168 -6.889 2.277 13.167 1.00 0.00 N ATOM 0 H ARG A 168 -9.049 -0.325 7.171 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.709 -1.233 8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -8.125 0.225 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.329 -1.031 9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.464 -2.378 10.770 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -6.574 -0.869 10.820 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -9.431 -1.030 11.821 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -8.088 -1.494 12.847 1.00 0.00 H new ATOM 0 HE ARG A 168 -8.883 1.205 12.137 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -6.128 -0.844 12.956 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -5.171 0.498 13.591 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -7.649 2.924 12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -6.028 2.623 13.591 1.00 0.00 H new ATOM 497 N ARG A 169 -8.900 -3.620 8.756 1.00 0.00 N ATOM 498 CA ARG A 169 -9.032 -5.053 8.992 1.00 0.00 C ATOM 499 C ARG A 169 -8.583 -5.849 7.770 1.00 0.00 C ATOM 500 O ARG A 169 -7.721 -6.723 7.868 1.00 0.00 O ATOM 501 CB ARG A 169 -10.480 -5.403 9.338 1.00 0.00 C ATOM 502 CG ARG A 169 -10.970 -4.765 10.627 1.00 0.00 C ATOM 503 CD ARG A 169 -12.361 -5.256 10.999 1.00 0.00 C ATOM 504 NE ARG A 169 -13.345 -4.945 9.966 1.00 0.00 N ATOM 505 CZ ARG A 169 -14.617 -5.327 10.024 1.00 0.00 C ATOM 506 NH1 ARG A 169 -15.055 -6.029 11.060 1.00 0.00 N ATOM 507 NH2 ARG A 169 -15.453 -5.005 9.045 1.00 0.00 N ATOM 0 H ARG A 169 -9.772 -3.097 8.838 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.391 -5.318 9.832 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.126 -5.089 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.573 -6.486 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.274 -4.994 11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -10.984 -3.681 10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -12.334 -6.334 11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -12.667 -4.800 11.940 1.00 0.00 H new ATOM 0 HE ARG A 169 -13.040 -4.405 9.156 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -14.416 -6.277 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -16.031 -6.321 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -15.120 -4.464 8.247 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -16.429 -5.299 9.090 1.00 0.00 H new ATOM 521 N LEU A 170 -9.172 -5.540 6.620 1.00 0.00 N ATOM 522 CA LEU A 170 -8.833 -6.227 5.378 1.00 0.00 C ATOM 523 C LEU A 170 -7.324 -6.414 5.254 1.00 0.00 C ATOM 524 O LEU A 170 -6.823 -7.538 5.278 1.00 0.00 O ATOM 525 CB LEU A 170 -9.362 -5.441 4.177 1.00 0.00 C ATOM 526 CG LEU A 170 -9.441 -6.207 2.856 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.505 -7.291 2.931 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.727 -5.255 1.704 1.00 0.00 C ATOM 0 H LEU A 170 -9.886 -4.819 6.521 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.302 -7.211 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.358 -5.072 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.726 -4.568 4.030 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.478 -6.684 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.547 -7.826 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.257 -7.989 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.474 -6.836 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.780 -5.817 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.677 -4.749 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.929 -4.515 1.637 1.00 0.00 H new ATOM 540 N PHE A 171 -6.605 -5.304 5.123 1.00 0.00 N ATOM 541 CA PHE A 171 -5.153 -5.345 4.996 1.00 0.00 C ATOM 542 C PHE A 171 -4.532 -6.175 6.116 1.00 0.00 C ATOM 543 O PHE A 171 -4.051 -7.284 5.887 1.00 0.00 O ATOM 544 CB PHE A 171 -4.577 -3.928 5.016 1.00 0.00 C ATOM 545 CG PHE A 171 -4.685 -3.218 3.697 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.924 -2.918 3.156 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.546 -2.849 2.999 1.00 0.00 C ATOM 548 CE1 PHE A 171 -6.026 -2.266 1.942 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.641 -2.196 1.785 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.883 -1.903 1.256 1.00 0.00 C ATOM 0 H PHE A 171 -7.004 -4.366 5.102 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.910 -5.814 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.095 -3.345 5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.528 -3.975 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.821 -3.197 3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.573 -3.075 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.998 -2.040 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.746 -1.915 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.960 -1.391 0.308 1.00 0.00 H new ATOM 560 N GLU A 172 -4.546 -5.627 7.327 1.00 0.00 N ATOM 561 CA GLU A 172 -3.984 -6.316 8.483 1.00 0.00 C ATOM 562 C GLU A 172 -4.348 -7.798 8.464 1.00 0.00 C ATOM 563 O GLU A 172 -3.584 -8.641 8.932 1.00 0.00 O ATOM 564 CB GLU A 172 -4.482 -5.674 9.779 1.00 0.00 C ATOM 565 CG GLU A 172 -5.766 -6.289 10.309 1.00 0.00 C ATOM 566 CD GLU A 172 -6.150 -5.754 11.675 1.00 0.00 C ATOM 567 OE1 GLU A 172 -6.737 -4.654 11.738 1.00 0.00 O ATOM 568 OE2 GLU A 172 -5.862 -6.436 12.681 1.00 0.00 O ATOM 0 H GLU A 172 -4.940 -4.709 7.533 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.899 -6.226 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.706 -5.762 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.642 -4.609 9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.575 -6.093 9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.649 -7.371 10.367 1.00 0.00 H new ATOM 575 N ALA A 173 -5.520 -8.106 7.919 1.00 0.00 N ATOM 576 CA ALA A 173 -5.986 -9.485 7.837 1.00 0.00 C ATOM 577 C ALA A 173 -4.842 -10.430 7.486 1.00 0.00 C ATOM 578 O ALA A 173 -4.842 -11.596 7.882 1.00 0.00 O ATOM 579 CB ALA A 173 -7.105 -9.604 6.814 1.00 0.00 C ATOM 0 H ALA A 173 -6.164 -7.419 7.528 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.372 -9.771 8.815 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.443 -10.639 6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.937 -8.964 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.738 -9.294 5.836 1.00 0.00 H new ATOM 585 N PHE A 174 -3.868 -9.921 6.739 1.00 0.00 N ATOM 586 CA PHE A 174 -2.719 -10.721 6.332 1.00 0.00 C ATOM 587 C PHE A 174 -1.464 -10.295 7.089 1.00 0.00 C ATOM 588 O PHE A 174 -0.948 -11.037 7.924 1.00 0.00 O ATOM 589 CB PHE A 174 -2.487 -10.590 4.825 1.00 0.00 C ATOM 590 CG PHE A 174 -3.643 -11.074 3.997 1.00 0.00 C ATOM 591 CD1 PHE A 174 -4.674 -10.214 3.653 1.00 0.00 C ATOM 592 CD2 PHE A 174 -3.699 -12.389 3.562 1.00 0.00 C ATOM 593 CE1 PHE A 174 -5.739 -10.656 2.891 1.00 0.00 C ATOM 594 CE2 PHE A 174 -4.761 -12.836 2.800 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.783 -11.969 2.464 1.00 0.00 C ATOM 0 H PHE A 174 -3.852 -8.958 6.403 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.931 -11.763 6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.291 -9.545 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.594 -11.153 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -4.645 -9.186 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -2.903 -13.072 3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -6.536 -9.976 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -4.792 -13.863 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.614 -12.317 1.869 1.00 0.00 H new ATOM 605 N GLY A 175 -0.979 -9.094 6.791 1.00 0.00 N ATOM 606 CA GLY A 175 0.211 -8.589 7.451 1.00 0.00 C ATOM 607 C GLY A 175 -0.086 -7.417 8.366 1.00 0.00 C ATOM 608 O GLY A 175 -0.771 -6.474 7.973 1.00 0.00 O ATOM 0 H GLY A 175 -1.389 -8.461 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.669 -9.391 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 175 0.938 -8.283 6.699 1.00 0.00 H new ATOM 612 N ASN A 176 0.430 -7.477 9.589 1.00 0.00 N ATOM 613 CA ASN A 176 0.214 -6.413 10.563 1.00 0.00 C ATOM 614 C ASN A 176 0.503 -5.047 9.948 1.00 0.00 C ATOM 615 O ASN A 176 1.367 -4.915 9.081 1.00 0.00 O ATOM 616 CB ASN A 176 1.100 -6.630 11.791 1.00 0.00 C ATOM 617 CG ASN A 176 0.712 -5.731 12.949 1.00 0.00 C ATOM 618 OD1 ASN A 176 1.269 -4.647 13.122 1.00 0.00 O ATOM 619 ND2 ASN A 176 -0.247 -6.180 13.751 1.00 0.00 N ATOM 0 H ASN A 176 1.001 -8.251 9.929 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.832 -6.440 10.869 1.00 0.00 H new ATOM 0 HB2 ASN A 176 1.033 -7.672 12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 176 2.140 -6.444 11.523 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -0.549 -5.620 14.548 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -0.681 -7.085 13.570 1.00 0.00 H new ATOM 626 N ILE A 177 -0.227 -4.034 10.403 1.00 0.00 N ATOM 627 CA ILE A 177 -0.048 -2.678 9.899 1.00 0.00 C ATOM 628 C ILE A 177 0.519 -1.761 10.978 1.00 0.00 C ATOM 629 O ILE A 177 0.113 -1.827 12.138 1.00 0.00 O ATOM 630 CB ILE A 177 -1.375 -2.088 9.386 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.968 -2.984 8.297 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.159 -0.677 8.859 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.317 -2.516 7.798 1.00 0.00 C ATOM 0 H ILE A 177 -0.947 -4.127 11.119 1.00 0.00 H new ATOM 0 HA ILE A 177 0.657 -2.740 9.070 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.080 -2.041 10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.275 -3.029 7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.065 -3.998 8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.106 -0.274 8.500 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -0.775 -0.044 9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.441 -0.701 8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.677 -3.198 7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -4.025 -2.498 8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.223 -1.514 7.380 1.00 0.00 H new ATOM 645 N GLU A 178 1.458 -0.905 10.586 1.00 0.00 N ATOM 646 CA GLU A 178 2.080 0.026 11.521 1.00 0.00 C ATOM 647 C GLU A 178 1.440 1.408 11.418 1.00 0.00 C ATOM 648 O GLU A 178 1.285 2.107 12.419 1.00 0.00 O ATOM 649 CB GLU A 178 3.582 0.126 11.252 1.00 0.00 C ATOM 650 CG GLU A 178 4.348 -1.140 11.598 1.00 0.00 C ATOM 651 CD GLU A 178 4.069 -1.623 13.007 1.00 0.00 C ATOM 652 OE1 GLU A 178 4.302 -0.847 13.958 1.00 0.00 O ATOM 653 OE2 GLU A 178 3.616 -2.777 13.161 1.00 0.00 O ATOM 0 H GLU A 178 1.804 -0.837 9.629 1.00 0.00 H new ATOM 0 HA GLU A 178 1.924 -0.354 12.531 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.739 0.359 10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.991 0.957 11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.084 -1.925 10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 178 5.416 -0.956 11.486 1.00 0.00 H new ATOM 660 N GLU A 179 1.072 1.794 10.200 1.00 0.00 N ATOM 661 CA GLU A 179 0.451 3.093 9.967 1.00 0.00 C ATOM 662 C GLU A 179 -0.528 3.025 8.799 1.00 0.00 C ATOM 663 O GLU A 179 -0.256 2.385 7.782 1.00 0.00 O ATOM 664 CB GLU A 179 1.520 4.152 9.689 1.00 0.00 C ATOM 665 CG GLU A 179 2.039 4.836 10.943 1.00 0.00 C ATOM 666 CD GLU A 179 1.190 6.023 11.353 1.00 0.00 C ATOM 667 OE1 GLU A 179 -0.052 5.925 11.264 1.00 0.00 O ATOM 668 OE2 GLU A 179 1.768 7.052 11.763 1.00 0.00 O ATOM 0 H GLU A 179 1.193 1.227 9.361 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.100 3.370 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 179 2.356 3.685 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.107 4.906 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 179 2.068 4.115 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 179 3.063 5.168 10.774 1.00 0.00 H new ATOM 675 N CYS A 180 -1.669 3.689 8.952 1.00 0.00 N ATOM 676 CA CYS A 180 -2.691 3.703 7.911 1.00 0.00 C ATOM 677 C CYS A 180 -3.404 5.051 7.868 1.00 0.00 C ATOM 678 O CYS A 180 -3.717 5.634 8.906 1.00 0.00 O ATOM 679 CB CYS A 180 -3.705 2.584 8.147 1.00 0.00 C ATOM 680 SG CYS A 180 -4.932 2.409 6.831 1.00 0.00 S ATOM 0 H CYS A 180 -1.909 4.224 9.786 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.199 3.541 6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.170 1.641 8.258 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.222 2.770 9.089 1.00 0.00 H new ATOM 0 HG CYS A 180 -5.743 1.436 7.121 1.00 0.00 H new ATOM 686 N THR A 181 -3.655 5.543 6.659 1.00 0.00 N ATOM 687 CA THR A 181 -4.328 6.823 6.479 1.00 0.00 C ATOM 688 C THR A 181 -5.077 6.870 5.153 1.00 0.00 C ATOM 689 O THR A 181 -4.664 6.246 4.174 1.00 0.00 O ATOM 690 CB THR A 181 -3.330 7.995 6.534 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.854 8.172 7.873 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.979 9.282 6.047 1.00 0.00 C ATOM 0 H THR A 181 -3.402 5.074 5.789 1.00 0.00 H new ATOM 0 HA THR A 181 -5.040 6.923 7.298 1.00 0.00 H new ATOM 0 HB THR A 181 -2.491 7.759 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 181 -3.189 7.445 8.438 1.00 0.00 H new ATOM 0 HG21 THR A 181 -3.255 10.095 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 181 -4.313 9.154 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.834 9.520 6.679 1.00 0.00 H new ATOM 700 N ILE A 182 -6.179 7.613 5.126 1.00 0.00 N ATOM 701 CA ILE A 182 -6.983 7.741 3.918 1.00 0.00 C ATOM 702 C ILE A 182 -6.725 9.074 3.224 1.00 0.00 C ATOM 703 O ILE A 182 -6.678 10.123 3.869 1.00 0.00 O ATOM 704 CB ILE A 182 -8.487 7.620 4.227 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.790 6.264 4.868 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.306 7.807 2.959 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.262 5.089 4.075 1.00 0.00 C ATOM 0 H ILE A 182 -6.535 8.135 5.927 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.689 6.926 3.256 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.762 8.404 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.359 6.240 5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.869 6.159 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.367 7.719 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.108 8.794 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -9.031 7.043 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.513 4.161 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.713 5.088 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.179 5.170 3.982 1.00 0.00 H new ATOM 719 N LEU A 183 -6.559 9.027 1.907 1.00 0.00 N ATOM 720 CA LEU A 183 -6.307 10.232 1.124 1.00 0.00 C ATOM 721 C LEU A 183 -7.606 10.979 0.841 1.00 0.00 C ATOM 722 O LEU A 183 -8.498 10.461 0.169 1.00 0.00 O ATOM 723 CB LEU A 183 -5.614 9.874 -0.192 1.00 0.00 C ATOM 724 CG LEU A 183 -4.110 9.613 -0.109 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.616 8.929 -1.374 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.356 10.914 0.125 1.00 0.00 C ATOM 0 H LEU A 183 -6.594 8.168 1.359 1.00 0.00 H new ATOM 0 HA LEU A 183 -5.654 10.883 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -6.094 8.986 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.783 10.685 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.922 8.949 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.543 8.751 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -4.133 7.978 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.817 9.567 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.287 10.710 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.551 11.601 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.689 11.365 1.060 1.00 0.00 H new ATOM 816 N SER A 190 -13.043 11.385 -0.287 1.00 0.00 N ATOM 817 CA SER A 190 -11.853 10.565 -0.480 1.00 0.00 C ATOM 818 C SER A 190 -11.560 10.375 -1.966 1.00 0.00 C ATOM 819 O SER A 190 -12.467 10.141 -2.765 1.00 0.00 O ATOM 820 CB SER A 190 -12.031 9.203 0.194 1.00 0.00 C ATOM 821 OG SER A 190 -10.826 8.459 0.167 1.00 0.00 O ATOM 0 HA SER A 190 -11.008 11.081 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 190 -12.352 9.344 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 190 -12.819 8.644 -0.311 1.00 0.00 H new ATOM 0 HG SER A 190 -10.063 9.073 0.149 1.00 0.00 H new ATOM 827 N LYS A 191 -10.286 10.476 -2.329 1.00 0.00 N ATOM 828 CA LYS A 191 -9.870 10.315 -3.717 1.00 0.00 C ATOM 829 C LYS A 191 -9.550 8.855 -4.023 1.00 0.00 C ATOM 830 O LYS A 191 -8.519 8.548 -4.619 1.00 0.00 O ATOM 831 CB LYS A 191 -8.648 11.188 -4.009 1.00 0.00 C ATOM 832 CG LYS A 191 -8.938 12.678 -3.952 1.00 0.00 C ATOM 833 CD LYS A 191 -7.898 13.478 -4.719 1.00 0.00 C ATOM 834 CE LYS A 191 -6.722 13.857 -3.833 1.00 0.00 C ATOM 835 NZ LYS A 191 -5.857 12.684 -3.526 1.00 0.00 N ATOM 0 H LYS A 191 -9.523 10.669 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.695 10.630 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -7.863 10.951 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.262 10.939 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -9.927 12.873 -4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -8.957 13.006 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -7.542 12.894 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -8.357 14.381 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -6.128 14.626 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -7.092 14.288 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -4.883 13.006 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -6.215 12.202 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -5.869 12.024 -4.330 1.00 0.00 H new ATOM 849 N GLY A 192 -10.443 7.959 -3.611 1.00 0.00 N ATOM 850 CA GLY A 192 -10.237 6.543 -3.852 1.00 0.00 C ATOM 851 C GLY A 192 -8.783 6.137 -3.717 1.00 0.00 C ATOM 852 O GLY A 192 -8.248 5.427 -4.570 1.00 0.00 O ATOM 0 H GLY A 192 -11.304 8.189 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.839 5.967 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.589 6.293 -4.853 1.00 0.00 H new ATOM 856 N CYS A 193 -8.141 6.590 -2.646 1.00 0.00 N ATOM 857 CA CYS A 193 -6.738 6.272 -2.404 1.00 0.00 C ATOM 858 C CYS A 193 -6.410 6.357 -0.917 1.00 0.00 C ATOM 859 O CYS A 193 -7.095 7.041 -0.158 1.00 0.00 O ATOM 860 CB CYS A 193 -5.835 7.220 -3.193 1.00 0.00 C ATOM 861 SG CYS A 193 -5.859 6.947 -4.980 1.00 0.00 S ATOM 0 H CYS A 193 -8.569 7.179 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.560 5.250 -2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -6.138 8.247 -2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -4.812 7.113 -2.834 1.00 0.00 H new ATOM 0 HG CYS A 193 -6.889 6.219 -5.294 1.00 0.00 H new ATOM 867 N ALA A 194 -5.358 5.655 -0.507 1.00 0.00 N ATOM 868 CA ALA A 194 -4.939 5.651 0.889 1.00 0.00 C ATOM 869 C ALA A 194 -3.492 5.191 1.026 1.00 0.00 C ATOM 870 O ALA A 194 -2.908 4.656 0.083 1.00 0.00 O ATOM 871 CB ALA A 194 -5.858 4.763 1.713 1.00 0.00 C ATOM 0 H ALA A 194 -4.781 5.082 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 194 -5.005 6.672 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.533 4.769 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.879 5.138 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -5.821 3.744 1.328 1.00 0.00 H new ATOM 877 N PHE A 195 -2.918 5.402 2.206 1.00 0.00 N ATOM 878 CA PHE A 195 -1.538 5.009 2.466 1.00 0.00 C ATOM 879 C PHE A 195 -1.465 4.002 3.610 1.00 0.00 C ATOM 880 O PHE A 195 -1.872 4.292 4.735 1.00 0.00 O ATOM 881 CB PHE A 195 -0.690 6.239 2.800 1.00 0.00 C ATOM 882 CG PHE A 195 -0.363 7.085 1.602 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.241 6.526 0.488 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.661 8.438 1.591 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.544 7.302 -0.615 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.361 9.219 0.491 1.00 0.00 C ATOM 887 CZ PHE A 195 0.241 8.650 -0.614 1.00 0.00 C ATOM 0 H PHE A 195 -3.387 5.843 2.997 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.145 4.538 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.221 6.849 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.238 5.914 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 195 0.478 5.472 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.133 8.888 2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.017 6.855 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.597 10.273 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.475 9.258 -1.476 1.00 0.00 H new ATOM 897 N VAL A 196 -0.944 2.815 3.313 1.00 0.00 N ATOM 898 CA VAL A 196 -0.817 1.764 4.315 1.00 0.00 C ATOM 899 C VAL A 196 0.647 1.458 4.608 1.00 0.00 C ATOM 900 O VAL A 196 1.515 1.644 3.755 1.00 0.00 O ATOM 901 CB VAL A 196 -1.520 0.470 3.863 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.540 -0.549 4.992 1.00 0.00 C ATOM 903 CG2 VAL A 196 -2.931 0.771 3.380 1.00 0.00 C ATOM 0 H VAL A 196 -0.603 2.558 2.387 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.297 2.132 5.222 1.00 0.00 H new ATOM 0 HB VAL A 196 -0.959 0.044 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.041 -1.456 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.518 -0.786 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -2.076 -0.135 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.413 -0.154 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.505 1.221 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -2.888 1.463 2.539 1.00 0.00 H new ATOM 913 N LYS A 197 0.916 0.988 5.821 1.00 0.00 N ATOM 914 CA LYS A 197 2.276 0.654 6.229 1.00 0.00 C ATOM 915 C LYS A 197 2.311 -0.681 6.966 1.00 0.00 C ATOM 916 O LYS A 197 1.453 -0.961 7.804 1.00 0.00 O ATOM 917 CB LYS A 197 2.848 1.757 7.122 1.00 0.00 C ATOM 918 CG LYS A 197 4.356 1.904 7.016 1.00 0.00 C ATOM 919 CD LYS A 197 4.838 3.188 7.671 1.00 0.00 C ATOM 920 CE LYS A 197 6.354 3.218 7.790 1.00 0.00 C ATOM 921 NZ LYS A 197 7.000 3.694 6.536 1.00 0.00 N ATOM 0 H LYS A 197 0.210 0.829 6.540 1.00 0.00 H new ATOM 0 HA LYS A 197 2.887 0.569 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.379 2.705 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.584 1.547 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.840 1.049 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.650 1.897 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 197 4.501 4.044 7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 197 4.392 3.282 8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 197 6.640 3.869 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 197 6.719 2.219 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 8.033 3.700 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 6.748 3.058 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 6.671 4.657 6.320 1.00 0.00 H new ATOM 935 N TYR A 198 3.307 -1.501 6.649 1.00 0.00 N ATOM 936 CA TYR A 198 3.452 -2.807 7.281 1.00 0.00 C ATOM 937 C TYR A 198 4.708 -2.856 8.146 1.00 0.00 C ATOM 938 O TYR A 198 5.606 -2.026 8.005 1.00 0.00 O ATOM 939 CB TYR A 198 3.507 -3.907 6.219 1.00 0.00 C ATOM 940 CG TYR A 198 2.151 -4.288 5.672 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.401 -3.386 4.928 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.619 -5.552 5.899 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.160 -3.731 4.427 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.380 -5.906 5.400 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.345 -4.991 4.665 1.00 0.00 C ATOM 946 OH TYR A 198 -1.580 -5.339 4.166 1.00 0.00 O ATOM 0 H TYR A 198 4.026 -1.284 5.958 1.00 0.00 H new ATOM 0 HA TYR A 198 2.585 -2.972 7.921 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.141 -3.575 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 198 3.978 -4.791 6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.794 -2.398 4.738 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.184 -6.270 6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.411 -3.017 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -0.018 -6.893 5.584 1.00 0.00 H new ATOM 0 HH TYR A 198 -2.065 -5.869 4.833 1.00 0.00 H new ATOM 956 N SER A 199 4.762 -3.837 9.043 1.00 0.00 N ATOM 957 CA SER A 199 5.905 -3.994 9.934 1.00 0.00 C ATOM 958 C SER A 199 7.161 -4.358 9.148 1.00 0.00 C ATOM 959 O SER A 199 8.202 -3.714 9.286 1.00 0.00 O ATOM 960 CB SER A 199 5.617 -5.071 10.982 1.00 0.00 C ATOM 961 OG SER A 199 6.597 -5.063 12.005 1.00 0.00 O ATOM 0 H SER A 199 4.028 -4.534 9.171 1.00 0.00 H new ATOM 0 HA SER A 199 6.075 -3.042 10.437 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.631 -4.905 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.594 -6.050 10.504 1.00 0.00 H new ATOM 0 HG SER A 199 6.389 -5.759 12.663 1.00 0.00 H new ATOM 967 N SER A 200 7.056 -5.394 8.322 1.00 0.00 N ATOM 968 CA SER A 200 8.184 -5.847 7.516 1.00 0.00 C ATOM 969 C SER A 200 7.820 -5.865 6.035 1.00 0.00 C ATOM 970 O SER A 200 6.658 -5.690 5.667 1.00 0.00 O ATOM 971 CB SER A 200 8.628 -7.242 7.961 1.00 0.00 C ATOM 972 OG SER A 200 9.942 -7.526 7.511 1.00 0.00 O ATOM 0 H SER A 200 6.201 -5.936 8.193 1.00 0.00 H new ATOM 0 HA SER A 200 9.007 -5.148 7.662 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.590 -7.310 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 200 7.937 -7.989 7.571 1.00 0.00 H new ATOM 0 HG SER A 200 10.203 -8.422 7.809 1.00 0.00 H new ATOM 978 N HIS A 201 8.822 -6.079 5.188 1.00 0.00 N ATOM 979 CA HIS A 201 8.609 -6.121 3.746 1.00 0.00 C ATOM 980 C HIS A 201 7.816 -7.363 3.350 1.00 0.00 C ATOM 981 O HIS A 201 6.816 -7.272 2.639 1.00 0.00 O ATOM 982 CB HIS A 201 9.949 -6.101 3.010 1.00 0.00 C ATOM 983 CG HIS A 201 9.829 -5.762 1.556 1.00 0.00 C ATOM 984 ND1 HIS A 201 10.286 -4.578 1.019 1.00 0.00 N ATOM 985 CD2 HIS A 201 9.301 -6.462 0.525 1.00 0.00 C ATOM 986 CE1 HIS A 201 10.043 -4.563 -0.280 1.00 0.00 C ATOM 987 NE2 HIS A 201 9.446 -5.695 -0.605 1.00 0.00 N ATOM 0 H HIS A 201 9.789 -6.226 5.476 1.00 0.00 H new ATOM 0 HA HIS A 201 8.035 -5.239 3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.607 -5.377 3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.423 -7.077 3.109 1.00 0.00 H new ATOM 0 HD2 HIS A 201 8.850 -7.442 0.581 1.00 0.00 H new ATOM 0 HE1 HIS A 201 10.291 -3.761 -0.960 1.00 0.00 H new ATOM 0 HE2 HIS A 201 9.142 -5.957 -1.543 1.00 0.00 H new ATOM 995 N ALA A 202 8.271 -8.522 3.814 1.00 0.00 N ATOM 996 CA ALA A 202 7.604 -9.782 3.510 1.00 0.00 C ATOM 997 C ALA A 202 6.090 -9.642 3.621 1.00 0.00 C ATOM 998 O ALA A 202 5.371 -9.776 2.631 1.00 0.00 O ATOM 999 CB ALA A 202 8.104 -10.881 4.435 1.00 0.00 C ATOM 0 H ALA A 202 9.099 -8.615 4.402 1.00 0.00 H new ATOM 0 HA ALA A 202 7.843 -10.052 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.597 -11.816 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.179 -11.007 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.895 -10.609 5.470 1.00 0.00 H new ATOM 1005 N GLU A 203 5.612 -9.373 4.832 1.00 0.00 N ATOM 1006 CA GLU A 203 4.182 -9.217 5.071 1.00 0.00 C ATOM 1007 C GLU A 203 3.549 -8.317 4.014 1.00 0.00 C ATOM 1008 O GLU A 203 2.467 -8.607 3.504 1.00 0.00 O ATOM 1009 CB GLU A 203 3.936 -8.636 6.465 1.00 0.00 C ATOM 1010 CG GLU A 203 4.180 -9.628 7.590 1.00 0.00 C ATOM 1011 CD GLU A 203 3.046 -10.621 7.747 1.00 0.00 C ATOM 1012 OE1 GLU A 203 2.358 -10.902 6.744 1.00 0.00 O ATOM 1013 OE2 GLU A 203 2.847 -11.119 8.876 1.00 0.00 O ATOM 0 H GLU A 203 6.194 -9.259 5.662 1.00 0.00 H new ATOM 0 HA GLU A 203 3.719 -10.202 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.583 -7.771 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 203 2.908 -8.278 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 203 5.107 -10.168 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 203 4.315 -9.085 8.525 1.00 0.00 H new ATOM 1020 N ALA A 204 4.231 -7.223 3.690 1.00 0.00 N ATOM 1021 CA ALA A 204 3.737 -6.282 2.693 1.00 0.00 C ATOM 1022 C ALA A 204 3.399 -6.992 1.387 1.00 0.00 C ATOM 1023 O ALA A 204 2.249 -6.991 0.949 1.00 0.00 O ATOM 1024 CB ALA A 204 4.762 -5.184 2.450 1.00 0.00 C ATOM 0 H ALA A 204 5.127 -6.967 4.104 1.00 0.00 H new ATOM 0 HA ALA A 204 2.822 -5.831 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.380 -4.488 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.950 -4.649 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.691 -5.627 2.092 1.00 0.00 H new ATOM 1030 N GLN A 205 4.410 -7.596 0.769 1.00 0.00 N ATOM 1031 CA GLN A 205 4.219 -8.308 -0.489 1.00 0.00 C ATOM 1032 C GLN A 205 2.996 -9.216 -0.420 1.00 0.00 C ATOM 1033 O GLN A 205 2.166 -9.227 -1.329 1.00 0.00 O ATOM 1034 CB GLN A 205 5.462 -9.133 -0.826 1.00 0.00 C ATOM 1035 CG GLN A 205 5.508 -9.601 -2.271 1.00 0.00 C ATOM 1036 CD GLN A 205 5.890 -8.493 -3.232 1.00 0.00 C ATOM 1037 OE1 GLN A 205 6.957 -7.890 -3.111 1.00 0.00 O ATOM 1038 NE2 GLN A 205 5.018 -8.218 -4.195 1.00 0.00 N ATOM 0 H GLN A 205 5.368 -7.606 1.119 1.00 0.00 H new ATOM 0 HA GLN A 205 4.057 -7.570 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.351 -8.537 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.500 -10.003 -0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 205 6.224 -10.418 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.533 -9.999 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 205 4.146 -8.743 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 205 5.221 -7.482 -4.872 1.00 0.00 H new ATOM 1047 N ALA A 206 2.891 -9.978 0.664 1.00 0.00 N ATOM 1048 CA ALA A 206 1.768 -10.888 0.853 1.00 0.00 C ATOM 1049 C ALA A 206 0.440 -10.181 0.604 1.00 0.00 C ATOM 1050 O ALA A 206 -0.344 -10.595 -0.250 1.00 0.00 O ATOM 1051 CB ALA A 206 1.798 -11.481 2.254 1.00 0.00 C ATOM 0 H ALA A 206 3.570 -9.983 1.425 1.00 0.00 H new ATOM 0 HA ALA A 206 1.861 -11.696 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.954 -12.158 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.729 -12.030 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.734 -10.679 2.990 1.00 0.00 H new ATOM 1057 N ALA A 207 0.194 -9.113 1.355 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.039 -8.348 1.215 1.00 0.00 C ATOM 1059 C ALA A 207 -1.242 -7.894 -0.227 1.00 0.00 C ATOM 1060 O ALA A 207 -2.345 -7.985 -0.766 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.025 -7.149 2.151 1.00 0.00 C ATOM 0 H ALA A 207 0.832 -8.758 2.067 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.873 -8.996 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -1.952 -6.587 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -0.935 -7.493 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.178 -6.507 1.907 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.172 -7.405 -0.844 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.234 -6.937 -2.223 1.00 0.00 C ATOM 1069 C ILE A 208 -0.866 -7.986 -3.132 1.00 0.00 C ATOM 1070 O ILE A 208 -2.004 -7.834 -3.575 1.00 0.00 O ATOM 1071 CB ILE A 208 1.165 -6.584 -2.762 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.809 -5.499 -1.897 1.00 0.00 C ATOM 1073 CG2 ILE A 208 1.076 -6.131 -4.211 1.00 0.00 C ATOM 1074 CD1 ILE A 208 3.233 -5.177 -2.292 1.00 0.00 C ATOM 0 H ILE A 208 0.748 -7.323 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.852 -6.039 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 208 1.791 -7.476 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 208 1.209 -4.591 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.793 -5.819 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 208 2.073 -5.885 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.654 -6.932 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.437 -5.250 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.626 -4.400 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.847 -6.073 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.254 -4.826 -3.324 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.120 -9.053 -3.404 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.608 -10.129 -4.259 1.00 0.00 C ATOM 1088 C ASN A 209 -1.937 -10.673 -3.743 1.00 0.00 C ATOM 1089 O ASN A 209 -2.832 -10.994 -4.524 1.00 0.00 O ATOM 1090 CB ASN A 209 0.423 -11.257 -4.332 1.00 0.00 C ATOM 1091 CG ASN A 209 1.537 -10.958 -5.318 1.00 0.00 C ATOM 1092 OD1 ASN A 209 2.325 -10.034 -5.120 1.00 0.00 O ATOM 1093 ND2 ASN A 209 1.606 -11.742 -6.387 1.00 0.00 N ATOM 0 H ASN A 209 0.824 -9.195 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.765 -9.723 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 209 0.851 -11.419 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 209 -0.075 -12.183 -4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 209 2.334 -11.590 -7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 209 0.931 -12.497 -6.510 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.058 -10.773 -2.424 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.278 -11.275 -1.804 1.00 0.00 C ATOM 1102 C ALA A 210 -4.470 -10.386 -2.139 1.00 0.00 C ATOM 1103 O ALA A 210 -5.603 -10.859 -2.238 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.100 -11.376 -0.296 1.00 0.00 C ATOM 0 H ALA A 210 -1.326 -10.513 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.477 -12.270 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.019 -11.752 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.280 -12.058 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -2.874 -10.390 0.111 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.209 -9.095 -2.314 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.262 -8.138 -2.638 1.00 0.00 C ATOM 1112 C LEU A 211 -5.060 -7.560 -4.035 1.00 0.00 C ATOM 1113 O LEU A 211 -5.779 -7.908 -4.972 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.288 -7.010 -1.606 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.619 -7.421 -0.170 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.549 -6.219 0.759 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -6.994 -8.069 -0.105 1.00 0.00 C ATOM 0 H LEU A 211 -3.277 -8.687 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.217 -8.664 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.314 -6.521 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.018 -6.267 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.879 -8.151 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.787 -6.531 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.544 -5.798 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.266 -5.465 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.213 -8.355 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.747 -7.361 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -7.009 -8.955 -0.739 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.076 -6.676 -4.168 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.778 -6.051 -5.452 1.00 0.00 C ATOM 1131 C HIS A 212 -3.665 -7.101 -6.554 1.00 0.00 C ATOM 1132 O HIS A 212 -2.985 -8.113 -6.393 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.481 -5.247 -5.363 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.851 -4.976 -6.694 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.484 -4.271 -7.697 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.638 -5.319 -7.186 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.687 -4.194 -8.747 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.560 -4.821 -8.463 1.00 0.00 N ATOM 0 H HIS A 212 -3.472 -6.376 -3.403 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.598 -5.377 -5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.685 -4.298 -4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.771 -5.787 -4.737 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.421 -3.872 -7.637 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.127 -5.880 -6.670 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -1.918 -3.702 -9.680 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.339 -6.852 -7.673 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.302 -7.784 -8.784 1.00 0.00 C ATOM 1148 C GLY A 213 -5.207 -8.981 -8.568 1.00 0.00 C ATOM 1149 O GLY A 213 -5.437 -9.768 -9.485 1.00 0.00 O ATOM 0 H GLY A 213 -4.910 -6.021 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.599 -7.268 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.278 -8.128 -8.931 1.00 0.00 H new ATOM 1153 N SER A 214 -5.722 -9.119 -7.350 1.00 0.00 N ATOM 1154 CA SER A 214 -6.603 -10.231 -7.014 1.00 0.00 C ATOM 1155 C SER A 214 -8.065 -9.799 -7.060 1.00 0.00 C ATOM 1156 O SER A 214 -8.819 -10.218 -7.938 1.00 0.00 O ATOM 1157 CB SER A 214 -6.264 -10.776 -5.625 1.00 0.00 C ATOM 1158 OG SER A 214 -7.019 -11.940 -5.336 1.00 0.00 O ATOM 0 H SER A 214 -5.544 -8.474 -6.580 1.00 0.00 H new ATOM 0 HA SER A 214 -6.452 -11.018 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.200 -11.006 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.464 -10.013 -4.873 1.00 0.00 H new ATOM 0 HG SER A 214 -6.783 -12.270 -4.444 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.457 -8.957 -6.109 1.00 0.00 N ATOM 1165 CA GLN A 215 -9.829 -8.468 -6.041 1.00 0.00 C ATOM 1166 C GLN A 215 -10.001 -7.209 -6.884 1.00 0.00 C ATOM 1167 O GLN A 215 -9.029 -6.520 -7.197 1.00 0.00 O ATOM 1168 CB GLN A 215 -10.219 -8.182 -4.590 1.00 0.00 C ATOM 1169 CG GLN A 215 -9.743 -9.243 -3.611 1.00 0.00 C ATOM 1170 CD GLN A 215 -10.736 -10.377 -3.450 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -11.359 -10.814 -4.418 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -10.888 -10.861 -2.223 1.00 0.00 N ATOM 0 H GLN A 215 -7.845 -8.600 -5.376 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.484 -9.242 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -9.807 -7.217 -4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -11.304 -8.099 -4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -8.790 -9.646 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -9.564 -8.782 -2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -10.351 -10.468 -1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -11.542 -11.625 -2.054 1.00 0.00 H new ATOM 1181 N THR A 216 -11.244 -6.912 -7.249 1.00 0.00 N ATOM 1182 CA THR A 216 -11.544 -5.737 -8.057 1.00 0.00 C ATOM 1183 C THR A 216 -12.589 -4.857 -7.382 1.00 0.00 C ATOM 1184 O THR A 216 -13.787 -5.127 -7.462 1.00 0.00 O ATOM 1185 CB THR A 216 -12.049 -6.131 -9.458 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.305 -7.252 -9.949 1.00 0.00 O ATOM 1187 CG2 THR A 216 -11.921 -4.966 -10.428 1.00 0.00 C ATOM 0 H THR A 216 -12.060 -7.470 -6.997 1.00 0.00 H new ATOM 0 HA THR A 216 -10.613 -5.179 -8.158 1.00 0.00 H new ATOM 0 HB THR A 216 -13.102 -6.401 -9.378 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.633 -7.498 -10.839 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.284 -5.269 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 216 -12.512 -4.125 -10.066 1.00 0.00 H new ATOM 0 HG23 THR A 216 -10.875 -4.669 -10.503 1.00 0.00 H new ATOM 1195 N MET A 217 -12.128 -3.802 -6.717 1.00 0.00 N ATOM 1196 CA MET A 217 -13.025 -2.881 -6.029 1.00 0.00 C ATOM 1197 C MET A 217 -14.323 -2.701 -6.810 1.00 0.00 C ATOM 1198 O MET A 217 -14.323 -2.527 -8.028 1.00 0.00 O ATOM 1199 CB MET A 217 -12.344 -1.526 -5.830 1.00 0.00 C ATOM 1200 CG MET A 217 -11.338 -1.513 -4.690 1.00 0.00 C ATOM 1201 SD MET A 217 -12.086 -1.912 -3.099 1.00 0.00 S ATOM 1202 CE MET A 217 -10.785 -2.890 -2.350 1.00 0.00 C ATOM 0 H MET A 217 -11.139 -3.564 -6.640 1.00 0.00 H new ATOM 0 HA MET A 217 -13.264 -3.306 -5.054 1.00 0.00 H new ATOM 0 HB2 MET A 217 -11.838 -1.244 -6.753 1.00 0.00 H new ATOM 0 HB3 MET A 217 -13.106 -0.770 -5.640 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.544 -2.228 -4.903 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.873 -0.529 -4.632 1.00 0.00 H new ATOM 0 HE1 MET A 217 -11.098 -3.213 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 217 -10.585 -3.764 -2.969 1.00 0.00 H new ATOM 0 HE3 MET A 217 -9.880 -2.289 -2.267 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.457 -2.745 -6.094 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.782 -2.589 -6.699 1.00 0.00 C ATOM 1214 C PRO A 218 -16.854 -1.386 -7.635 1.00 0.00 C ATOM 1215 O PRO A 218 -16.611 -0.252 -7.224 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.702 -2.383 -5.493 1.00 0.00 C ATOM 1217 CG PRO A 218 -17.013 -3.078 -4.369 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.531 -2.950 -4.637 1.00 0.00 C ATOM 0 HA PRO A 218 -17.051 -3.446 -7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -17.841 -1.324 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -18.691 -2.805 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -17.276 -2.626 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.310 -4.126 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -15.096 -2.112 -4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -14.990 -3.845 -4.330 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.189 -1.642 -8.896 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.287 -0.571 -9.870 1.00 0.00 C ATOM 1228 C GLY A 219 -16.151 -0.594 -10.873 1.00 0.00 C ATOM 1229 O GLY A 219 -16.378 -0.508 -12.079 1.00 0.00 O ATOM 0 H GLY A 219 -17.394 -2.572 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.237 -0.651 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.291 0.388 -9.352 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.925 -0.708 -10.374 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.750 -0.742 -11.235 1.00 0.00 C ATOM 1235 C ALA A 220 -13.617 -2.093 -11.930 1.00 0.00 C ATOM 1236 O ALA A 220 -13.944 -3.132 -11.356 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.496 -0.436 -10.429 1.00 0.00 C ATOM 0 H ALA A 220 -14.720 -0.778 -9.377 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.871 0.022 -12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.626 -0.465 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.582 0.555 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.380 -1.179 -9.640 1.00 0.00 H new ATOM 1243 N SER A 221 -13.138 -2.071 -13.170 1.00 0.00 N ATOM 1244 CA SER A 221 -12.967 -3.294 -13.945 1.00 0.00 C ATOM 1245 C SER A 221 -11.557 -3.852 -13.776 1.00 0.00 C ATOM 1246 O SER A 221 -11.293 -5.011 -14.098 1.00 0.00 O ATOM 1247 CB SER A 221 -13.248 -3.028 -15.425 1.00 0.00 C ATOM 1248 OG SER A 221 -13.467 -4.239 -16.129 1.00 0.00 O ATOM 0 H SER A 221 -12.862 -1.220 -13.659 1.00 0.00 H new ATOM 0 HA SER A 221 -13.678 -4.032 -13.574 1.00 0.00 H new ATOM 0 HB2 SER A 221 -14.122 -2.384 -15.522 1.00 0.00 H new ATOM 0 HB3 SER A 221 -12.407 -2.493 -15.868 1.00 0.00 H new ATOM 0 HG SER A 221 -13.646 -4.041 -17.072 1.00 0.00 H new ATOM 1254 N SER A 222 -10.655 -3.019 -13.268 1.00 0.00 N ATOM 1255 CA SER A 222 -9.270 -3.426 -13.059 1.00 0.00 C ATOM 1256 C SER A 222 -9.026 -3.791 -11.598 1.00 0.00 C ATOM 1257 O SER A 222 -9.504 -3.112 -10.689 1.00 0.00 O ATOM 1258 CB SER A 222 -8.317 -2.307 -13.483 1.00 0.00 C ATOM 1259 OG SER A 222 -8.422 -2.048 -14.872 1.00 0.00 O ATOM 0 H SER A 222 -10.858 -2.058 -12.993 1.00 0.00 H new ATOM 0 HA SER A 222 -9.080 -4.307 -13.672 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.544 -1.400 -12.922 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.292 -2.585 -13.238 1.00 0.00 H new ATOM 0 HG SER A 222 -7.804 -1.328 -15.118 1.00 0.00 H new ATOM 1265 N SER A 223 -8.278 -4.868 -11.380 1.00 0.00 N ATOM 1266 CA SER A 223 -7.973 -5.326 -10.029 1.00 0.00 C ATOM 1267 C SER A 223 -7.386 -4.195 -9.192 1.00 0.00 C ATOM 1268 O SER A 223 -6.816 -3.242 -9.726 1.00 0.00 O ATOM 1269 CB SER A 223 -6.995 -6.502 -10.076 1.00 0.00 C ATOM 1270 OG SER A 223 -7.572 -7.619 -10.731 1.00 0.00 O ATOM 0 H SER A 223 -7.872 -5.440 -12.121 1.00 0.00 H new ATOM 0 HA SER A 223 -8.903 -5.654 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.085 -6.202 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 223 -6.706 -6.780 -9.062 1.00 0.00 H new ATOM 0 HG SER A 223 -7.082 -8.431 -10.486 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.528 -4.306 -7.876 1.00 0.00 N ATOM 1277 CA LEU A 224 -7.012 -3.293 -6.961 1.00 0.00 C ATOM 1278 C LEU A 224 -5.591 -2.889 -7.342 1.00 0.00 C ATOM 1279 O LEU A 224 -4.880 -3.639 -8.011 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.039 -3.815 -5.524 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.394 -2.913 -4.471 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.075 -1.553 -4.444 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.453 -3.568 -3.099 1.00 0.00 C ATOM 0 H LEU A 224 -7.996 -5.088 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.651 -2.413 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.077 -3.986 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.538 -4.783 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.347 -2.767 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.603 -0.925 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -6.980 -1.079 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.130 -1.679 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -5.989 -2.912 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.493 -3.744 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.919 -4.518 -3.126 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.184 -1.700 -6.910 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.847 -1.198 -7.202 1.00 0.00 C ATOM 1297 C VAL A 225 -3.090 -0.870 -5.920 1.00 0.00 C ATOM 1298 O VAL A 225 -3.351 0.146 -5.275 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.901 0.060 -8.089 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.497 0.539 -8.424 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.696 -0.216 -9.356 1.00 0.00 C ATOM 0 H VAL A 225 -5.761 -1.067 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.323 -1.989 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.406 0.852 -7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.556 1.428 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -1.965 0.779 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.962 -0.247 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.724 0.683 -9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -4.222 -1.023 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.713 -0.507 -9.092 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.151 -1.737 -5.555 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.355 -1.539 -4.350 1.00 0.00 C ATOM 1313 C VAL A 226 0.123 -1.801 -4.619 1.00 0.00 C ATOM 1314 O VAL A 226 0.538 -2.943 -4.814 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.827 -2.458 -3.207 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.131 -2.093 -1.905 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.339 -2.380 -3.053 1.00 0.00 C ATOM 0 H VAL A 226 -1.923 -2.583 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.489 -0.500 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.561 -3.485 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.477 -2.753 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -0.053 -2.204 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.363 -1.060 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.656 -3.035 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.629 -1.354 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.816 -2.695 -3.981 1.00 0.00 H new ATOM 1327 N LYS A 227 0.915 -0.734 -4.627 1.00 0.00 N ATOM 1328 CA LYS A 227 2.348 -0.846 -4.871 1.00 0.00 C ATOM 1329 C LYS A 227 3.143 -0.186 -3.749 1.00 0.00 C ATOM 1330 O LYS A 227 2.570 0.342 -2.796 1.00 0.00 O ATOM 1331 CB LYS A 227 2.710 -0.205 -6.212 1.00 0.00 C ATOM 1332 CG LYS A 227 2.264 1.242 -6.336 1.00 0.00 C ATOM 1333 CD LYS A 227 1.964 1.612 -7.778 1.00 0.00 C ATOM 1334 CE LYS A 227 3.200 2.147 -8.485 1.00 0.00 C ATOM 1335 NZ LYS A 227 4.144 1.055 -8.853 1.00 0.00 N ATOM 0 H LYS A 227 0.588 0.219 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 227 2.605 -1.905 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.790 -0.256 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.258 -0.786 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.375 1.403 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 227 3.042 1.898 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 227 1.590 0.737 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 227 1.174 2.363 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 227 2.900 2.686 -9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 227 3.707 2.863 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 4.793 1.392 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 4.691 0.772 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 3.608 0.238 -9.209 1.00 0.00 H new ATOM 1349 N PHE A 228 4.466 -0.218 -3.869 1.00 0.00 N ATOM 1350 CA PHE A 228 5.340 0.377 -2.865 1.00 0.00 C ATOM 1351 C PHE A 228 5.444 1.887 -3.061 1.00 0.00 C ATOM 1352 O PHE A 228 6.231 2.365 -3.877 1.00 0.00 O ATOM 1353 CB PHE A 228 6.733 -0.254 -2.932 1.00 0.00 C ATOM 1354 CG PHE A 228 6.736 -1.730 -2.656 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.419 -2.214 -1.397 1.00 0.00 C ATOM 1356 CD2 PHE A 228 7.056 -2.634 -3.656 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.421 -3.572 -1.139 1.00 0.00 C ATOM 1358 CE2 PHE A 228 7.059 -3.993 -3.404 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.742 -4.463 -2.145 1.00 0.00 C ATOM 0 H PHE A 228 4.957 -0.650 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 228 4.908 0.184 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 228 7.156 -0.076 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 228 7.383 0.243 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 228 6.167 -1.522 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 228 7.306 -2.273 -4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 228 6.172 -3.936 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 228 7.309 -4.688 -4.192 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.745 -5.525 -1.947 1.00 0.00 H new