USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 646 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 Single : A 10 SER OG : rot -22:sc= 0.169 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00662 USER MOD Single : A 16 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.32) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.000424 USER MOD Single : A 23 ASN : amide:sc= -0.578 K(o=-0.58,f=-4.3!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 158:sc= 1.19 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -129:sc= -2.32! (180deg=-5.05!) USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -121:sc= -0.0207 (180deg=-1.11) USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= -0.0846 (180deg=-1.29) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -148:sc= -4.36! (180deg=-8.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00168) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0294) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= -0.0569 (180deg=-0.348) USER MOD Single : A 63 SER OG : rot -68:sc= 0.219 USER MOD Single : A 65 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.5) USER MOD Single : A 66 ASN : amide:sc= -1.28! C(o=-1.3!,f=-3.9!) USER MOD Single : A 67 CYS SG : rot 90:sc= -0.162 USER MOD Single : A 68 THR OG1 : rot -110:sc= -0.0254 USER MOD Single : A 72 ASN : amide:sc= -0.0411 X(o=-0.041,f=-0.37) USER MOD Single : A 73 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.29) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.171) USER MOD Single : A 84 SER OG : rot -102:sc= -0.875 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.233 11.781 1.873 1.00 0.00 N ATOM 185 CA SER A 10 -0.787 10.845 0.847 1.00 0.00 C ATOM 186 C SER A 10 -0.726 9.424 1.398 1.00 0.00 C ATOM 187 O SER A 10 -1.160 8.473 0.747 1.00 0.00 O ATOM 188 CB SER A 10 0.586 11.256 0.313 1.00 0.00 C ATOM 189 OG SER A 10 1.500 11.477 1.373 1.00 0.00 O ATOM 0 HA SER A 10 -1.508 10.869 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.971 10.478 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.491 12.163 -0.284 1.00 0.00 H new ATOM 0 HG SER A 10 1.005 11.660 2.199 1.00 0.00 H new ATOM 195 N THR A 11 -0.184 9.286 2.605 1.00 0.00 N ATOM 196 CA THR A 11 -0.065 7.983 3.245 1.00 0.00 C ATOM 197 C THR A 11 -1.436 7.366 3.498 1.00 0.00 C ATOM 198 O THR A 11 -2.437 8.076 3.601 1.00 0.00 O ATOM 199 CB THR A 11 0.697 8.080 4.580 1.00 0.00 C ATOM 200 OG1 THR A 11 1.908 8.823 4.400 1.00 0.00 O ATOM 201 CG2 THR A 11 1.021 6.696 5.121 1.00 0.00 C ATOM 0 H THR A 11 0.179 10.062 3.158 1.00 0.00 H new ATOM 0 HA THR A 11 0.496 7.346 2.561 1.00 0.00 H new ATOM 0 HB THR A 11 0.060 8.593 5.300 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.386 8.882 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.559 6.791 6.064 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.096 6.144 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.641 6.160 4.402 1.00 0.00 H new ATOM 209 N VAL A 12 -1.474 6.042 3.600 1.00 0.00 N ATOM 210 CA VAL A 12 -2.723 5.330 3.844 1.00 0.00 C ATOM 211 C VAL A 12 -2.563 4.307 4.963 1.00 0.00 C ATOM 212 O VAL A 12 -1.774 3.368 4.852 1.00 0.00 O ATOM 213 CB VAL A 12 -3.217 4.612 2.574 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.557 3.938 2.828 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.315 5.591 1.413 1.00 0.00 C ATOM 0 H VAL A 12 -0.655 5.440 3.518 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.460 6.076 4.141 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.494 3.840 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.890 3.436 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.450 3.206 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.292 4.688 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.665 5.067 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.016 6.386 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.333 6.022 1.217 1.00 0.00 H new ATOM 225 N TYR A 13 -3.318 4.494 6.040 1.00 0.00 N ATOM 226 CA TYR A 13 -3.259 3.589 7.181 1.00 0.00 C ATOM 227 C TYR A 13 -3.963 2.272 6.869 1.00 0.00 C ATOM 228 O TYR A 13 -5.192 2.199 6.858 1.00 0.00 O ATOM 229 CB TYR A 13 -3.894 4.241 8.410 1.00 0.00 C ATOM 230 CG TYR A 13 -3.455 3.624 9.719 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.482 2.248 9.905 1.00 0.00 C ATOM 232 CD2 TYR A 13 -3.010 4.419 10.769 1.00 0.00 C ATOM 233 CE1 TYR A 13 -3.082 1.681 11.099 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.607 3.860 11.966 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.645 2.490 12.126 1.00 0.00 C ATOM 236 OH TYR A 13 -2.244 1.929 13.317 1.00 0.00 O ATOM 0 H TYR A 13 -3.978 5.264 6.146 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.210 3.379 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.645 5.302 8.417 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.979 4.168 8.330 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.822 1.610 9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.979 5.492 10.647 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.111 0.609 11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.264 4.492 12.772 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.964 2.637 13.934 1.00 0.00 H new ATOM 246 N VAL A 14 -3.174 1.232 6.615 1.00 0.00 N ATOM 247 CA VAL A 14 -3.720 -0.084 6.305 1.00 0.00 C ATOM 248 C VAL A 14 -3.346 -1.101 7.376 1.00 0.00 C ATOM 249 O VAL A 14 -2.243 -1.065 7.923 1.00 0.00 O ATOM 250 CB VAL A 14 -3.224 -0.588 4.937 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.143 -1.676 4.403 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.120 0.565 3.950 1.00 0.00 C ATOM 0 H VAL A 14 -2.155 1.276 6.618 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.804 0.022 6.274 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.230 -1.016 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.776 -2.020 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.161 -2.512 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.151 -1.277 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.768 0.190 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.100 1.025 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.417 1.307 4.330 1.00 0.00 H new ATOM 262 N SER A 15 -4.270 -2.009 7.671 1.00 0.00 N ATOM 263 CA SER A 15 -4.038 -3.036 8.680 1.00 0.00 C ATOM 264 C SER A 15 -4.607 -4.379 8.229 1.00 0.00 C ATOM 265 O SER A 15 -5.296 -4.464 7.214 1.00 0.00 O ATOM 266 CB SER A 15 -4.668 -2.624 10.012 1.00 0.00 C ATOM 267 OG SER A 15 -4.035 -1.471 10.540 1.00 0.00 O ATOM 0 H SER A 15 -5.187 -2.055 7.226 1.00 0.00 H new ATOM 0 HA SER A 15 -2.961 -3.143 8.813 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.731 -2.427 9.870 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.589 -3.445 10.725 1.00 0.00 H new ATOM 0 HG SER A 15 -4.457 -1.227 11.390 1.00 0.00 H new ATOM 273 N ASN A 16 -4.312 -5.425 8.994 1.00 0.00 N ATOM 274 CA ASN A 16 -4.793 -6.765 8.674 1.00 0.00 C ATOM 275 C ASN A 16 -4.205 -7.253 7.353 1.00 0.00 C ATOM 276 O ASN A 16 -4.787 -8.103 6.678 1.00 0.00 O ATOM 277 CB ASN A 16 -6.321 -6.777 8.600 1.00 0.00 C ATOM 278 CG ASN A 16 -6.961 -7.120 9.932 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.884 -6.347 10.887 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.597 -8.283 10.000 1.00 0.00 N ATOM 0 H ASN A 16 -3.743 -5.371 9.839 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.469 -7.439 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.674 -5.800 8.271 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.640 -7.500 7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.048 -8.568 10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.635 -8.892 9.183 1.00 0.00 H new ATOM 287 N LEU A 17 -3.048 -6.710 6.990 1.00 0.00 N ATOM 288 CA LEU A 17 -2.380 -7.090 5.750 1.00 0.00 C ATOM 289 C LEU A 17 -1.507 -8.323 5.958 1.00 0.00 C ATOM 290 O LEU A 17 -0.865 -8.492 6.995 1.00 0.00 O ATOM 291 CB LEU A 17 -1.528 -5.930 5.231 1.00 0.00 C ATOM 292 CG LEU A 17 -2.295 -4.744 4.646 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.421 -3.499 4.628 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.793 -5.068 3.245 1.00 0.00 C ATOM 0 H LEU A 17 -2.553 -6.005 7.537 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.146 -7.330 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.907 -5.567 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.854 -6.314 4.465 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.159 -4.547 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.984 -2.665 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.115 -3.255 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.537 -3.684 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.337 -4.212 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.944 -5.292 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.456 -5.932 3.285 1.00 0.00 H new ATOM 306 N PRO A 18 -1.480 -9.206 4.948 1.00 0.00 N ATOM 307 CA PRO A 18 -0.687 -10.438 4.995 1.00 0.00 C ATOM 308 C PRO A 18 0.812 -10.166 4.928 1.00 0.00 C ATOM 309 O PRO A 18 1.399 -10.134 3.846 1.00 0.00 O ATOM 310 CB PRO A 18 -1.148 -11.204 3.753 1.00 0.00 C ATOM 311 CG PRO A 18 -1.636 -10.151 2.818 1.00 0.00 C ATOM 312 CD PRO A 18 -2.220 -9.069 3.683 1.00 0.00 C ATOM 0 HA PRO A 18 -0.835 -10.983 5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.330 -11.775 3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.938 -11.914 3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.821 -9.764 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.385 -10.552 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.081 -8.082 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.292 -9.205 3.828 1.00 0.00 H new ATOM 320 N PHE A 19 1.426 -9.971 6.090 1.00 0.00 N ATOM 321 CA PHE A 19 2.857 -9.701 6.162 1.00 0.00 C ATOM 322 C PHE A 19 3.640 -10.676 5.287 1.00 0.00 C ATOM 323 O PHE A 19 4.728 -10.359 4.806 1.00 0.00 O ATOM 324 CB PHE A 19 3.343 -9.795 7.610 1.00 0.00 C ATOM 325 CG PHE A 19 2.739 -10.940 8.372 1.00 0.00 C ATOM 326 CD1 PHE A 19 3.337 -12.190 8.358 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.574 -10.767 9.100 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.784 -13.246 9.058 1.00 0.00 C ATOM 329 CE2 PHE A 19 1.016 -11.819 9.803 1.00 0.00 C ATOM 330 CZ PHE A 19 1.621 -13.060 9.781 1.00 0.00 C ATOM 0 H PHE A 19 0.955 -9.995 6.995 1.00 0.00 H new ATOM 0 HA PHE A 19 3.029 -8.690 5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.428 -9.898 7.615 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.109 -8.863 8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.245 -12.341 7.794 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.095 -9.799 9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.260 -14.215 9.040 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.108 -11.670 10.369 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.186 -13.884 10.328 1.00 0.00 H new ATOM 340 N SER A 20 3.077 -11.863 5.086 1.00 0.00 N ATOM 341 CA SER A 20 3.723 -12.887 4.272 1.00 0.00 C ATOM 342 C SER A 20 4.289 -12.284 2.990 1.00 0.00 C ATOM 343 O SER A 20 5.348 -12.694 2.512 1.00 0.00 O ATOM 344 CB SER A 20 2.730 -13.999 3.932 1.00 0.00 C ATOM 345 OG SER A 20 3.403 -15.209 3.631 1.00 0.00 O ATOM 0 H SER A 20 2.176 -12.140 5.475 1.00 0.00 H new ATOM 0 HA SER A 20 4.546 -13.309 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.053 -14.155 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.119 -13.698 3.081 1.00 0.00 H new ATOM 0 HG SER A 20 2.746 -15.905 3.419 1.00 0.00 H new ATOM 351 N LEU A 21 3.576 -11.309 2.437 1.00 0.00 N ATOM 352 CA LEU A 21 4.006 -10.649 1.209 1.00 0.00 C ATOM 353 C LEU A 21 5.195 -9.730 1.473 1.00 0.00 C ATOM 354 O LEU A 21 5.647 -9.591 2.610 1.00 0.00 O ATOM 355 CB LEU A 21 2.851 -9.847 0.607 1.00 0.00 C ATOM 356 CG LEU A 21 1.473 -10.506 0.667 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.400 -9.547 0.174 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.460 -11.790 -0.149 1.00 0.00 C ATOM 0 H LEU A 21 2.698 -10.958 2.819 1.00 0.00 H new ATOM 0 HA LEU A 21 4.315 -11.418 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.795 -8.887 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.086 -9.637 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 21 1.257 -10.757 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.574 -10.034 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.393 -8.656 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.611 -9.264 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.471 -12.246 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.699 -11.563 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.201 -12.483 0.251 1.00 0.00 H new ATOM 370 N THR A 22 5.698 -9.103 0.414 1.00 0.00 N ATOM 371 CA THR A 22 6.833 -8.197 0.530 1.00 0.00 C ATOM 372 C THR A 22 6.491 -6.814 -0.012 1.00 0.00 C ATOM 373 O THR A 22 5.553 -6.657 -0.792 1.00 0.00 O ATOM 374 CB THR A 22 8.064 -8.739 -0.220 1.00 0.00 C ATOM 375 OG1 THR A 22 9.225 -7.977 0.127 1.00 0.00 O ATOM 376 CG2 THR A 22 7.848 -8.685 -1.725 1.00 0.00 C ATOM 0 H THR A 22 5.336 -9.207 -0.534 1.00 0.00 H new ATOM 0 HA THR A 22 7.068 -8.120 1.592 1.00 0.00 H new ATOM 0 HB THR A 22 8.211 -9.778 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.003 -8.330 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.731 -9.073 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.981 -9.290 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.677 -7.653 -2.031 1.00 0.00 H new ATOM 384 N ASN A 23 7.258 -5.812 0.407 1.00 0.00 N ATOM 385 CA ASN A 23 7.035 -4.441 -0.037 1.00 0.00 C ATOM 386 C ASN A 23 6.554 -4.410 -1.485 1.00 0.00 C ATOM 387 O ASN A 23 5.577 -3.737 -1.810 1.00 0.00 O ATOM 388 CB ASN A 23 8.320 -3.622 0.103 1.00 0.00 C ATOM 389 CG ASN A 23 8.593 -3.217 1.539 1.00 0.00 C ATOM 390 OD1 ASN A 23 7.688 -3.198 2.373 1.00 0.00 O ATOM 391 ND2 ASN A 23 9.847 -2.891 1.832 1.00 0.00 N ATOM 0 H ASN A 23 8.039 -5.924 1.053 1.00 0.00 H new ATOM 0 HA ASN A 23 6.262 -4.002 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.161 -4.204 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.247 -2.728 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.092 -2.610 2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.564 -2.921 1.108 1.00 0.00 H new ATOM 398 N ASN A 24 7.248 -5.143 -2.349 1.00 0.00 N ATOM 399 CA ASN A 24 6.892 -5.199 -3.762 1.00 0.00 C ATOM 400 C ASN A 24 5.423 -5.573 -3.939 1.00 0.00 C ATOM 401 O ASN A 24 4.690 -4.918 -4.680 1.00 0.00 O ATOM 402 CB ASN A 24 7.778 -6.210 -4.493 1.00 0.00 C ATOM 403 CG ASN A 24 9.214 -5.738 -4.615 1.00 0.00 C ATOM 404 OD1 ASN A 24 10.116 -6.285 -3.980 1.00 0.00 O ATOM 405 ND2 ASN A 24 9.433 -4.716 -5.434 1.00 0.00 N ATOM 0 H ASN A 24 8.060 -5.706 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 24 7.051 -4.209 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.755 -7.161 -3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.372 -6.392 -5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.379 -4.354 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.655 -4.293 -5.941 1.00 0.00 H new ATOM 412 N ASP A 25 5.001 -6.630 -3.253 1.00 0.00 N ATOM 413 CA ASP A 25 3.620 -7.090 -3.332 1.00 0.00 C ATOM 414 C ASP A 25 2.649 -5.948 -3.046 1.00 0.00 C ATOM 415 O ASP A 25 1.902 -5.519 -3.926 1.00 0.00 O ATOM 416 CB ASP A 25 3.384 -8.235 -2.346 1.00 0.00 C ATOM 417 CG ASP A 25 3.870 -9.568 -2.881 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.102 -9.762 -2.962 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.020 -10.418 -3.216 1.00 0.00 O ATOM 0 H ASP A 25 5.596 -7.184 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 25 3.441 -7.450 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.895 -8.015 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.320 -8.303 -2.121 1.00 0.00 H new ATOM 424 N LEU A 26 2.665 -5.461 -1.810 1.00 0.00 N ATOM 425 CA LEU A 26 1.785 -4.370 -1.407 1.00 0.00 C ATOM 426 C LEU A 26 1.785 -3.256 -2.450 1.00 0.00 C ATOM 427 O LEU A 26 0.729 -2.814 -2.901 1.00 0.00 O ATOM 428 CB LEU A 26 2.219 -3.813 -0.050 1.00 0.00 C ATOM 429 CG LEU A 26 2.142 -4.784 1.129 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.639 -4.117 2.403 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.718 -5.290 1.311 1.00 0.00 C ATOM 0 H LEU A 26 3.277 -5.804 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 26 0.772 -4.765 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.246 -3.459 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.601 -2.945 0.179 1.00 0.00 H new ATOM 0 HG LEU A 26 2.785 -5.637 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.577 -4.823 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.675 -3.804 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.022 -3.245 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.682 -5.980 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.054 -4.447 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.397 -5.806 0.406 1.00 0.00 H new ATOM 443 N TYR A 27 2.977 -2.810 -2.830 1.00 0.00 N ATOM 444 CA TYR A 27 3.115 -1.748 -3.819 1.00 0.00 C ATOM 445 C TYR A 27 2.133 -1.944 -4.970 1.00 0.00 C ATOM 446 O TYR A 27 1.394 -1.030 -5.333 1.00 0.00 O ATOM 447 CB TYR A 27 4.547 -1.706 -4.357 1.00 0.00 C ATOM 448 CG TYR A 27 4.776 -0.623 -5.386 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.363 -0.789 -6.702 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.406 0.567 -5.043 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.570 0.198 -7.646 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.617 1.560 -5.980 1.00 0.00 C ATOM 453 CZ TYR A 27 5.197 1.371 -7.280 1.00 0.00 C ATOM 454 OH TYR A 27 5.406 2.357 -8.217 1.00 0.00 O ATOM 0 H TYR A 27 3.861 -3.167 -2.468 1.00 0.00 H new ATOM 0 HA TYR A 27 2.889 -0.800 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.235 -1.556 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.788 -2.673 -4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.871 -1.706 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.737 0.718 -4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.243 0.052 -8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.108 2.479 -5.696 1.00 0.00 H new ATOM 0 HH TYR A 27 5.520 3.219 -7.765 1.00 0.00 H new ATOM 464 N ARG A 28 2.132 -3.145 -5.539 1.00 0.00 N ATOM 465 CA ARG A 28 1.242 -3.464 -6.649 1.00 0.00 C ATOM 466 C ARG A 28 -0.205 -3.565 -6.174 1.00 0.00 C ATOM 467 O ARG A 28 -1.107 -2.980 -6.774 1.00 0.00 O ATOM 468 CB ARG A 28 1.666 -4.777 -7.310 1.00 0.00 C ATOM 469 CG ARG A 28 2.874 -4.637 -8.222 1.00 0.00 C ATOM 470 CD ARG A 28 3.468 -5.993 -8.570 1.00 0.00 C ATOM 471 NE ARG A 28 4.108 -5.989 -9.883 1.00 0.00 N ATOM 472 CZ ARG A 28 3.450 -5.796 -11.021 1.00 0.00 C ATOM 473 NH1 ARG A 28 2.140 -5.593 -11.006 1.00 0.00 N ATOM 474 NH2 ARG A 28 4.102 -5.807 -12.176 1.00 0.00 N ATOM 0 H ARG A 28 2.738 -3.913 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 28 1.311 -2.659 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.890 -5.509 -6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.829 -5.170 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.583 -4.120 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.630 -4.021 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.198 -6.274 -7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.682 -6.748 -8.552 1.00 0.00 H new ATOM 0 HE ARG A 28 5.115 -6.143 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.635 -5.585 -10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.637 -5.445 -11.881 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.110 -5.964 -12.191 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.596 -5.659 -13.049 1.00 0.00 H new ATOM 488 N ILE A 29 -0.417 -4.311 -5.096 1.00 0.00 N ATOM 489 CA ILE A 29 -1.753 -4.488 -4.541 1.00 0.00 C ATOM 490 C ILE A 29 -2.456 -3.147 -4.362 1.00 0.00 C ATOM 491 O ILE A 29 -3.674 -3.046 -4.518 1.00 0.00 O ATOM 492 CB ILE A 29 -1.707 -5.215 -3.184 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.241 -6.661 -3.371 1.00 0.00 C ATOM 494 CG2 ILE A 29 -3.074 -5.176 -2.516 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.778 -7.317 -2.089 1.00 0.00 C ATOM 0 H ILE A 29 0.319 -4.803 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.312 -5.097 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.993 -4.703 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.058 -7.246 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.426 -6.681 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.026 -5.694 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.370 -4.140 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.806 -5.667 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.462 -8.339 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.060 -6.756 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.597 -7.329 -1.370 1.00 0.00 H new ATOM 507 N PHE A 30 -1.682 -2.117 -4.036 1.00 0.00 N ATOM 508 CA PHE A 30 -2.230 -0.781 -3.837 1.00 0.00 C ATOM 509 C PHE A 30 -2.110 0.051 -5.110 1.00 0.00 C ATOM 510 O PHE A 30 -2.646 1.156 -5.196 1.00 0.00 O ATOM 511 CB PHE A 30 -1.509 -0.077 -2.685 1.00 0.00 C ATOM 512 CG PHE A 30 -1.755 -0.714 -1.347 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.999 -0.627 -0.742 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.743 -1.398 -0.694 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.227 -1.211 0.490 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.965 -1.985 0.538 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.210 -1.892 1.130 1.00 0.00 C ATOM 0 H PHE A 30 -0.673 -2.182 -3.904 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.286 -0.882 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.438 -0.073 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.830 0.964 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.799 -0.097 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.232 -1.474 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.200 -1.135 0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.167 -2.515 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.388 -2.351 2.091 1.00 0.00 H new ATOM 527 N SER A 31 -1.402 -0.488 -6.098 1.00 0.00 N ATOM 528 CA SER A 31 -1.207 0.205 -7.366 1.00 0.00 C ATOM 529 C SER A 31 -2.491 0.200 -8.191 1.00 0.00 C ATOM 530 O SER A 31 -2.698 1.063 -9.044 1.00 0.00 O ATOM 531 CB SER A 31 -0.074 -0.448 -8.160 1.00 0.00 C ATOM 532 OG SER A 31 0.308 0.359 -9.260 1.00 0.00 O ATOM 0 H SER A 31 -0.954 -1.403 -6.044 1.00 0.00 H new ATOM 0 HA SER A 31 -0.939 1.239 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.785 -0.610 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.393 -1.427 -8.517 1.00 0.00 H new ATOM 0 HG SER A 31 1.034 -0.079 -9.751 1.00 0.00 H new ATOM 538 N LYS A 32 -3.350 -0.779 -7.930 1.00 0.00 N ATOM 539 CA LYS A 32 -4.615 -0.899 -8.646 1.00 0.00 C ATOM 540 C LYS A 32 -5.495 0.323 -8.404 1.00 0.00 C ATOM 541 O LYS A 32 -6.397 0.615 -9.189 1.00 0.00 O ATOM 542 CB LYS A 32 -5.353 -2.167 -8.210 1.00 0.00 C ATOM 543 CG LYS A 32 -5.927 -2.084 -6.807 1.00 0.00 C ATOM 544 CD LYS A 32 -6.788 -3.294 -6.484 1.00 0.00 C ATOM 545 CE LYS A 32 -5.995 -4.587 -6.591 1.00 0.00 C ATOM 546 NZ LYS A 32 -5.805 -5.005 -8.008 1.00 0.00 N ATOM 0 H LYS A 32 -3.193 -1.502 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.396 -0.962 -9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.162 -2.367 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.668 -3.013 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.114 -2.011 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.522 -1.176 -6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.192 -3.196 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.638 -3.330 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.022 -4.457 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.512 -5.376 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.093 -5.998 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.386 -4.405 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.803 -4.905 -8.268 1.00 0.00 H new ATOM 560 N TYR A 33 -5.225 1.034 -7.315 1.00 0.00 N ATOM 561 CA TYR A 33 -5.993 2.224 -6.970 1.00 0.00 C ATOM 562 C TYR A 33 -5.234 3.492 -7.350 1.00 0.00 C ATOM 563 O TYR A 33 -5.833 4.506 -7.705 1.00 0.00 O ATOM 564 CB TYR A 33 -6.310 2.236 -5.474 1.00 0.00 C ATOM 565 CG TYR A 33 -6.978 0.970 -4.986 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.255 0.626 -5.414 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.333 0.118 -4.099 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.869 -0.529 -4.971 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.939 -1.040 -3.652 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.208 -1.359 -4.090 1.00 0.00 C ATOM 571 OH TYR A 33 -8.816 -2.511 -3.647 1.00 0.00 O ATOM 0 H TYR A 33 -4.480 0.807 -6.656 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.926 2.198 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.386 2.387 -4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.957 3.086 -5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.776 1.273 -6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.340 0.365 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.862 -0.781 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.422 -1.692 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.147 -3.096 -3.234 1.00 0.00 H new ATOM 581 N GLY A 34 -3.908 3.426 -7.274 1.00 0.00 N ATOM 582 CA GLY A 34 -3.087 4.573 -7.613 1.00 0.00 C ATOM 583 C GLY A 34 -1.604 4.261 -7.559 1.00 0.00 C ATOM 584 O GLY A 34 -1.172 3.391 -6.804 1.00 0.00 O ATOM 0 H GLY A 34 -3.388 2.598 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.346 4.918 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.308 5.390 -6.926 1.00 0.00 H new ATOM 588 N LYS A 35 -0.822 4.972 -8.365 1.00 0.00 N ATOM 589 CA LYS A 35 0.621 4.768 -8.408 1.00 0.00 C ATOM 590 C LYS A 35 1.232 4.910 -7.017 1.00 0.00 C ATOM 591 O LYS A 35 0.915 5.845 -6.282 1.00 0.00 O ATOM 592 CB LYS A 35 1.270 5.768 -9.367 1.00 0.00 C ATOM 593 CG LYS A 35 2.607 5.303 -9.917 1.00 0.00 C ATOM 594 CD LYS A 35 3.313 6.413 -10.678 1.00 0.00 C ATOM 595 CE LYS A 35 2.844 6.484 -12.122 1.00 0.00 C ATOM 596 NZ LYS A 35 1.610 7.306 -12.265 1.00 0.00 N ATOM 0 H LYS A 35 -1.164 5.695 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 35 0.809 3.756 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.590 5.955 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.410 6.717 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.240 4.963 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.453 4.449 -10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.127 7.368 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.390 6.246 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.636 6.907 -12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.654 5.476 -12.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.852 6.725 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.313 7.652 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.803 8.116 -12.888 1.00 0.00 H new ATOM 610 N VAL A 36 2.111 3.978 -6.664 1.00 0.00 N ATOM 611 CA VAL A 36 2.769 4.002 -5.363 1.00 0.00 C ATOM 612 C VAL A 36 4.197 4.522 -5.478 1.00 0.00 C ATOM 613 O VAL A 36 4.919 4.184 -6.417 1.00 0.00 O ATOM 614 CB VAL A 36 2.795 2.601 -4.722 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.637 2.610 -3.455 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.381 2.124 -4.429 1.00 0.00 C ATOM 0 H VAL A 36 2.384 3.197 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 36 2.191 4.674 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 36 3.250 1.905 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.644 1.612 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.657 2.907 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.214 3.317 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.418 1.133 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.898 2.819 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.813 2.078 -5.358 1.00 0.00 H new ATOM 626 N VAL A 37 4.600 5.348 -4.517 1.00 0.00 N ATOM 627 CA VAL A 37 5.943 5.914 -4.510 1.00 0.00 C ATOM 628 C VAL A 37 6.813 5.252 -3.448 1.00 0.00 C ATOM 629 O VAL A 37 7.996 4.992 -3.671 1.00 0.00 O ATOM 630 CB VAL A 37 5.910 7.433 -4.256 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.317 8.009 -4.277 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.026 8.125 -5.283 1.00 0.00 C ATOM 0 H VAL A 37 4.015 5.640 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 37 6.371 5.726 -5.495 1.00 0.00 H new ATOM 0 HB VAL A 37 5.486 7.610 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.273 9.083 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.916 7.534 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.772 7.824 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.014 9.198 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.418 7.942 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.012 7.732 -5.214 1.00 0.00 H new ATOM 642 N LYS A 38 6.220 4.980 -2.290 1.00 0.00 N ATOM 643 CA LYS A 38 6.939 4.345 -1.192 1.00 0.00 C ATOM 644 C LYS A 38 6.012 3.446 -0.382 1.00 0.00 C ATOM 645 O LYS A 38 4.807 3.687 -0.306 1.00 0.00 O ATOM 646 CB LYS A 38 7.562 5.406 -0.282 1.00 0.00 C ATOM 647 CG LYS A 38 8.825 6.030 -0.850 1.00 0.00 C ATOM 648 CD LYS A 38 9.072 7.414 -0.273 1.00 0.00 C ATOM 649 CE LYS A 38 9.791 7.340 1.065 1.00 0.00 C ATOM 650 NZ LYS A 38 8.876 6.927 2.165 1.00 0.00 N ATOM 0 H LYS A 38 5.242 5.190 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 38 7.732 3.730 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.829 6.192 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.792 4.955 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.678 5.387 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.743 6.097 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.665 8.001 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.121 7.932 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.617 6.632 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.224 8.313 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.175 7.378 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.905 7.221 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.908 5.893 2.274 1.00 0.00 H new ATOM 664 N VAL A 39 6.581 2.409 0.225 1.00 0.00 N ATOM 665 CA VAL A 39 5.805 1.475 1.032 1.00 0.00 C ATOM 666 C VAL A 39 6.319 1.429 2.466 1.00 0.00 C ATOM 667 O VAL A 39 7.469 1.064 2.715 1.00 0.00 O ATOM 668 CB VAL A 39 5.843 0.054 0.439 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.112 -0.924 1.347 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.245 0.044 -0.960 1.00 0.00 C ATOM 0 H VAL A 39 7.577 2.195 0.173 1.00 0.00 H new ATOM 0 HA VAL A 39 4.776 1.834 1.029 1.00 0.00 H new ATOM 0 HB VAL A 39 6.884 -0.263 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.150 -1.922 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.589 -0.937 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.073 -0.614 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.280 -0.968 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.209 0.381 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.816 0.712 -1.605 1.00 0.00 H new ATOM 680 N THR A 40 5.460 1.802 3.410 1.00 0.00 N ATOM 681 CA THR A 40 5.827 1.804 4.820 1.00 0.00 C ATOM 682 C THR A 40 5.167 0.648 5.562 1.00 0.00 C ATOM 683 O THR A 40 4.034 0.271 5.260 1.00 0.00 O ATOM 684 CB THR A 40 5.434 3.129 5.501 1.00 0.00 C ATOM 685 OG1 THR A 40 6.192 4.209 4.946 1.00 0.00 O ATOM 686 CG2 THR A 40 5.668 3.056 7.002 1.00 0.00 C ATOM 0 H THR A 40 4.505 2.107 3.223 1.00 0.00 H new ATOM 0 HA THR A 40 6.910 1.689 4.865 1.00 0.00 H new ATOM 0 HB THR A 40 4.373 3.303 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.935 5.048 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.383 4.003 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.066 2.252 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.723 2.861 7.197 1.00 0.00 H new ATOM 694 N ILE A 41 5.880 0.091 6.535 1.00 0.00 N ATOM 695 CA ILE A 41 5.361 -1.022 7.321 1.00 0.00 C ATOM 696 C ILE A 41 5.676 -0.842 8.802 1.00 0.00 C ATOM 697 O ILE A 41 6.794 -0.483 9.170 1.00 0.00 O ATOM 698 CB ILE A 41 5.940 -2.367 6.844 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.592 -2.605 5.374 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.418 -3.504 7.709 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.200 -3.867 4.805 1.00 0.00 C ATOM 0 H ILE A 41 6.818 0.392 6.798 1.00 0.00 H new ATOM 0 HA ILE A 41 4.280 -1.031 7.180 1.00 0.00 H new ATOM 0 HB ILE A 41 7.025 -2.333 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.508 -2.655 5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.930 -1.752 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.836 -4.448 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.713 -3.338 8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.331 -3.542 7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.911 -3.971 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.286 -3.812 4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.842 -4.729 5.368 1.00 0.00 H new ATOM 713 N MET A 42 4.682 -1.095 9.647 1.00 0.00 N ATOM 714 CA MET A 42 4.854 -0.963 11.090 1.00 0.00 C ATOM 715 C MET A 42 5.634 -2.146 11.654 1.00 0.00 C ATOM 716 O MET A 42 5.798 -3.169 10.989 1.00 0.00 O ATOM 717 CB MET A 42 3.492 -0.860 11.780 1.00 0.00 C ATOM 718 CG MET A 42 2.574 0.181 11.160 1.00 0.00 C ATOM 719 SD MET A 42 3.462 1.652 10.612 1.00 0.00 S ATOM 720 CE MET A 42 2.928 2.845 11.836 1.00 0.00 C ATOM 0 H MET A 42 3.750 -1.392 9.358 1.00 0.00 H new ATOM 0 HA MET A 42 5.420 -0.052 11.282 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.001 -1.833 11.744 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.644 -0.618 12.832 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.051 -0.260 10.311 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.815 0.469 11.887 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.885 3.836 11.384 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.939 2.571 12.204 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.634 2.856 12.666 1.00 0.00 H new ATOM 730 N LYS A 43 6.114 -2.000 12.884 1.00 0.00 N ATOM 731 CA LYS A 43 6.877 -3.056 13.539 1.00 0.00 C ATOM 732 C LYS A 43 6.854 -2.884 15.055 1.00 0.00 C ATOM 733 O LYS A 43 7.280 -1.854 15.578 1.00 0.00 O ATOM 734 CB LYS A 43 8.323 -3.055 13.037 1.00 0.00 C ATOM 735 CG LYS A 43 8.534 -3.899 11.792 1.00 0.00 C ATOM 736 CD LYS A 43 8.426 -3.064 10.527 1.00 0.00 C ATOM 737 CE LYS A 43 9.783 -2.530 10.095 1.00 0.00 C ATOM 738 NZ LYS A 43 10.540 -3.526 9.288 1.00 0.00 N ATOM 0 H LYS A 43 5.988 -1.160 13.448 1.00 0.00 H new ATOM 0 HA LYS A 43 6.414 -4.011 13.292 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.625 -2.029 12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.975 -3.422 13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.515 -4.372 11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.795 -4.700 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.000 -3.668 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.743 -2.231 10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.646 -1.619 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.364 -2.260 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.459 -3.124 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.693 -4.386 9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.997 -3.765 8.434 1.00 0.00 H new ATOM 752 N ASP A 44 6.357 -3.898 15.753 1.00 0.00 N ATOM 753 CA ASP A 44 6.281 -3.860 17.209 1.00 0.00 C ATOM 754 C ASP A 44 7.674 -3.775 17.823 1.00 0.00 C ATOM 755 O ASP A 44 8.680 -3.952 17.136 1.00 0.00 O ATOM 756 CB ASP A 44 5.552 -5.097 17.736 1.00 0.00 C ATOM 757 CG ASP A 44 5.520 -5.149 19.250 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.678 -4.449 19.850 1.00 0.00 O ATOM 759 OD2 ASP A 44 6.338 -5.889 19.836 1.00 0.00 O ATOM 0 H ASP A 44 6.000 -4.757 15.335 1.00 0.00 H new ATOM 0 HA ASP A 44 5.722 -2.969 17.496 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.531 -5.104 17.354 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.041 -5.993 17.355 1.00 0.00 H new ATOM 764 N LYS A 45 7.727 -3.502 19.123 1.00 0.00 N ATOM 765 CA LYS A 45 8.996 -3.394 19.832 1.00 0.00 C ATOM 766 C LYS A 45 9.382 -4.728 20.464 1.00 0.00 C ATOM 767 O LYS A 45 10.531 -5.161 20.371 1.00 0.00 O ATOM 768 CB LYS A 45 8.911 -2.312 20.910 1.00 0.00 C ATOM 769 CG LYS A 45 10.237 -1.626 21.189 1.00 0.00 C ATOM 770 CD LYS A 45 10.038 -0.186 21.633 1.00 0.00 C ATOM 771 CE LYS A 45 10.030 0.766 20.447 1.00 0.00 C ATOM 772 NZ LYS A 45 11.407 1.044 19.949 1.00 0.00 N ATOM 0 H LYS A 45 6.904 -3.351 19.707 1.00 0.00 H new ATOM 0 HA LYS A 45 9.765 -3.119 19.110 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.181 -1.563 20.604 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.541 -2.759 21.833 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.776 -2.175 21.961 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.855 -1.649 20.292 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.098 -0.099 22.178 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.833 0.097 22.323 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.432 0.338 19.642 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.552 1.702 20.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.361 1.723 19.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.980 1.444 20.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.842 0.159 19.618 1.00 0.00 H new ATOM 786 N ASP A 46 8.415 -5.374 21.106 1.00 0.00 N ATOM 787 CA ASP A 46 8.653 -6.660 21.751 1.00 0.00 C ATOM 788 C ASP A 46 8.684 -7.787 20.723 1.00 0.00 C ATOM 789 O ASP A 46 9.743 -8.336 20.420 1.00 0.00 O ATOM 790 CB ASP A 46 7.572 -6.937 22.798 1.00 0.00 C ATOM 791 CG ASP A 46 7.576 -5.916 23.918 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.033 -4.809 23.715 1.00 0.00 O ATOM 793 OD2 ASP A 46 8.120 -6.223 24.999 1.00 0.00 O ATOM 0 H ASP A 46 7.459 -5.028 21.194 1.00 0.00 H new ATOM 0 HA ASP A 46 9.624 -6.617 22.245 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.595 -6.939 22.315 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.722 -7.932 23.217 1.00 0.00 H new ATOM 798 N THR A 47 7.514 -8.128 20.191 1.00 0.00 N ATOM 799 CA THR A 47 7.407 -9.190 19.199 1.00 0.00 C ATOM 800 C THR A 47 8.223 -8.864 17.954 1.00 0.00 C ATOM 801 O THR A 47 8.789 -9.755 17.321 1.00 0.00 O ATOM 802 CB THR A 47 5.941 -9.431 18.791 1.00 0.00 C ATOM 803 OG1 THR A 47 5.363 -8.216 18.301 1.00 0.00 O ATOM 804 CG2 THR A 47 5.128 -9.946 19.969 1.00 0.00 C ATOM 0 H THR A 47 6.628 -7.684 20.431 1.00 0.00 H new ATOM 0 HA THR A 47 7.801 -10.095 19.661 1.00 0.00 H new ATOM 0 HB THR A 47 5.926 -10.184 18.003 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.432 -8.378 18.042 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.097 -10.108 19.656 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.553 -10.886 20.321 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.151 -9.213 20.775 1.00 0.00 H new ATOM 812 N ARG A 48 8.279 -7.583 17.608 1.00 0.00 N ATOM 813 CA ARG A 48 9.026 -7.140 16.437 1.00 0.00 C ATOM 814 C ARG A 48 8.401 -7.683 15.155 1.00 0.00 C ATOM 815 O ARG A 48 9.093 -8.235 14.299 1.00 0.00 O ATOM 816 CB ARG A 48 10.485 -7.589 16.536 1.00 0.00 C ATOM 817 CG ARG A 48 11.470 -6.595 15.943 1.00 0.00 C ATOM 818 CD ARG A 48 11.704 -6.858 14.463 1.00 0.00 C ATOM 819 NE ARG A 48 12.364 -8.141 14.233 1.00 0.00 N ATOM 820 CZ ARG A 48 12.900 -8.494 13.070 1.00 0.00 C ATOM 821 NH1 ARG A 48 12.854 -7.664 12.037 1.00 0.00 N ATOM 822 NH2 ARG A 48 13.483 -9.678 12.939 1.00 0.00 N ATOM 0 H ARG A 48 7.816 -6.833 18.122 1.00 0.00 H new ATOM 0 HA ARG A 48 8.990 -6.051 16.405 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.735 -7.754 17.584 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.597 -8.546 16.027 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.092 -5.582 16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 48 12.417 -6.656 16.479 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.750 -6.842 13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.313 -6.057 14.044 1.00 0.00 H new ATOM 0 HE ARG A 48 12.416 -8.802 15.008 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.406 -6.753 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.266 -7.937 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.520 -10.319 13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.894 -9.948 12.045 1.00 0.00 H new ATOM 836 N LYS A 49 7.088 -7.525 15.030 1.00 0.00 N ATOM 837 CA LYS A 49 6.368 -7.999 13.854 1.00 0.00 C ATOM 838 C LYS A 49 5.519 -6.884 13.250 1.00 0.00 C ATOM 839 O LYS A 49 5.166 -5.922 13.931 1.00 0.00 O ATOM 840 CB LYS A 49 5.479 -9.190 14.220 1.00 0.00 C ATOM 841 CG LYS A 49 6.178 -10.228 15.080 1.00 0.00 C ATOM 842 CD LYS A 49 7.181 -11.037 14.273 1.00 0.00 C ATOM 843 CE LYS A 49 6.489 -12.076 13.404 1.00 0.00 C ATOM 844 NZ LYS A 49 6.015 -13.240 14.202 1.00 0.00 N ATOM 0 H LYS A 49 6.500 -7.072 15.729 1.00 0.00 H new ATOM 0 HA LYS A 49 7.102 -8.316 13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.598 -8.826 14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.128 -9.666 13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.689 -9.733 15.906 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.438 -10.897 15.518 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.768 -10.368 13.644 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.878 -11.532 14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.642 -11.617 12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.177 -12.421 12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.672 -13.984 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.800 -13.611 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.241 -12.939 14.829 1.00 0.00 H new ATOM 858 N SER A 50 5.194 -7.022 11.969 1.00 0.00 N ATOM 859 CA SER A 50 4.388 -6.026 11.273 1.00 0.00 C ATOM 860 C SER A 50 2.943 -6.058 11.761 1.00 0.00 C ATOM 861 O SER A 50 2.261 -5.034 11.788 1.00 0.00 O ATOM 862 CB SER A 50 4.433 -6.267 9.763 1.00 0.00 C ATOM 863 OG SER A 50 3.301 -5.704 9.122 1.00 0.00 O ATOM 0 H SER A 50 5.476 -7.814 11.392 1.00 0.00 H new ATOM 0 HA SER A 50 4.805 -5.042 11.490 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.343 -5.832 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.472 -7.338 9.564 1.00 0.00 H new ATOM 0 HG SER A 50 3.355 -5.870 8.158 1.00 0.00 H new ATOM 869 N LYS A 51 2.482 -7.243 12.147 1.00 0.00 N ATOM 870 CA LYS A 51 1.119 -7.412 12.636 1.00 0.00 C ATOM 871 C LYS A 51 0.106 -6.943 11.597 1.00 0.00 C ATOM 872 O LYS A 51 -1.017 -6.571 11.934 1.00 0.00 O ATOM 873 CB LYS A 51 0.923 -6.637 13.941 1.00 0.00 C ATOM 874 CG LYS A 51 2.124 -6.695 14.869 1.00 0.00 C ATOM 875 CD LYS A 51 2.135 -5.527 15.842 1.00 0.00 C ATOM 876 CE LYS A 51 2.880 -4.332 15.269 1.00 0.00 C ATOM 877 NZ LYS A 51 2.623 -3.091 16.052 1.00 0.00 N ATOM 0 H LYS A 51 3.033 -8.101 12.131 1.00 0.00 H new ATOM 0 HA LYS A 51 0.956 -8.473 12.823 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.706 -5.595 13.706 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.052 -7.034 14.462 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.110 -7.632 15.425 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.041 -6.687 14.280 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.111 -5.239 16.078 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.603 -5.835 16.777 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.950 -4.541 15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.577 -4.177 14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.148 -2.299 15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.605 -2.877 16.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.936 -3.229 17.034 1.00 0.00 H new ATOM 891 N GLY A 52 0.510 -6.965 10.330 1.00 0.00 N ATOM 892 CA GLY A 52 -0.375 -6.541 9.261 1.00 0.00 C ATOM 893 C GLY A 52 -0.430 -5.033 9.119 1.00 0.00 C ATOM 894 O GLY A 52 -0.603 -4.512 8.016 1.00 0.00 O ATOM 0 H GLY A 52 1.435 -7.269 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.040 -6.980 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.378 -6.922 9.451 1.00 0.00 H new ATOM 898 N VAL A 53 -0.285 -4.328 10.236 1.00 0.00 N ATOM 899 CA VAL A 53 -0.319 -2.871 10.231 1.00 0.00 C ATOM 900 C VAL A 53 0.781 -2.298 9.345 1.00 0.00 C ATOM 901 O VAL A 53 1.962 -2.363 9.686 1.00 0.00 O ATOM 902 CB VAL A 53 -0.167 -2.301 11.654 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.514 -0.820 11.676 1.00 0.00 C ATOM 904 CG2 VAL A 53 -1.037 -3.075 12.633 1.00 0.00 C ATOM 0 H VAL A 53 -0.143 -4.743 11.157 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.291 -2.579 9.833 1.00 0.00 H new ATOM 0 HB VAL A 53 0.873 -2.411 11.962 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.401 -0.435 12.689 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.154 -0.280 11.006 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.545 -0.683 11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.917 -2.659 13.633 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.081 -2.999 12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.736 -4.123 12.637 1.00 0.00 H new ATOM 914 N ALA A 54 0.386 -1.737 8.207 1.00 0.00 N ATOM 915 CA ALA A 54 1.339 -1.150 7.273 1.00 0.00 C ATOM 916 C ALA A 54 0.785 0.130 6.657 1.00 0.00 C ATOM 917 O ALA A 54 -0.426 0.278 6.491 1.00 0.00 O ATOM 918 CB ALA A 54 1.696 -2.152 6.185 1.00 0.00 C ATOM 0 H ALA A 54 -0.588 -1.677 7.909 1.00 0.00 H new ATOM 0 HA ALA A 54 2.243 -0.894 7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.408 -1.701 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.141 -3.038 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.795 -2.436 5.642 1.00 0.00 H new ATOM 924 N PHE A 55 1.680 1.053 6.319 1.00 0.00 N ATOM 925 CA PHE A 55 1.280 2.322 5.721 1.00 0.00 C ATOM 926 C PHE A 55 1.771 2.423 4.280 1.00 0.00 C ATOM 927 O PHE A 55 2.918 2.092 3.980 1.00 0.00 O ATOM 928 CB PHE A 55 1.828 3.491 6.542 1.00 0.00 C ATOM 929 CG PHE A 55 1.225 3.595 7.914 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.288 2.528 8.796 1.00 0.00 C ATOM 931 CD2 PHE A 55 0.595 4.760 8.322 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.735 2.620 10.059 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.040 4.858 9.584 1.00 0.00 C ATOM 934 CZ PHE A 55 0.109 3.787 10.453 1.00 0.00 C ATOM 0 H PHE A 55 2.686 0.946 6.449 1.00 0.00 H new ATOM 0 HA PHE A 55 0.191 2.367 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.909 3.383 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.646 4.420 6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.775 1.613 8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.537 5.601 7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.792 1.781 10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.447 5.772 9.890 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.326 3.861 11.439 1.00 0.00 H new ATOM 944 N ILE A 56 0.895 2.883 3.394 1.00 0.00 N ATOM 945 CA ILE A 56 1.239 3.029 1.985 1.00 0.00 C ATOM 946 C ILE A 56 1.224 4.494 1.564 1.00 0.00 C ATOM 947 O ILE A 56 0.293 5.234 1.884 1.00 0.00 O ATOM 948 CB ILE A 56 0.272 2.238 1.085 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.051 0.832 1.647 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.809 2.168 -0.337 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.308 -0.010 1.679 1.00 0.00 C ATOM 0 H ILE A 56 -0.058 3.161 3.627 1.00 0.00 H new ATOM 0 HA ILE A 56 2.246 2.629 1.863 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.687 2.755 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.349 0.912 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.702 0.323 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.114 1.606 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.919 3.177 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.779 1.671 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.077 -0.993 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.697 -0.121 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.056 0.477 2.304 1.00 0.00 H new ATOM 963 N LEU A 57 2.261 4.907 0.843 1.00 0.00 N ATOM 964 CA LEU A 57 2.367 6.285 0.375 1.00 0.00 C ATOM 965 C LEU A 57 2.052 6.380 -1.114 1.00 0.00 C ATOM 966 O LEU A 57 2.704 5.739 -1.939 1.00 0.00 O ATOM 967 CB LEU A 57 3.770 6.830 0.648 1.00 0.00 C ATOM 968 CG LEU A 57 3.919 8.351 0.604 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.197 8.783 1.306 1.00 0.00 C ATOM 970 CD2 LEU A 57 3.905 8.847 -0.835 1.00 0.00 C ATOM 0 H LEU A 57 3.040 4.308 0.570 1.00 0.00 H new ATOM 0 HA LEU A 57 1.639 6.885 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.088 6.482 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.455 6.397 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 57 3.073 8.795 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.286 9.869 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.167 8.461 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.055 8.330 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.012 9.932 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.731 8.395 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.962 8.570 -1.306 1.00 0.00 H new ATOM 982 N PHE A 58 1.051 7.186 -1.452 1.00 0.00 N ATOM 983 CA PHE A 58 0.650 7.366 -2.842 1.00 0.00 C ATOM 984 C PHE A 58 1.194 8.679 -3.399 1.00 0.00 C ATOM 985 O PHE A 58 1.312 9.671 -2.679 1.00 0.00 O ATOM 986 CB PHE A 58 -0.875 7.342 -2.963 1.00 0.00 C ATOM 987 CG PHE A 58 -1.475 5.989 -2.707 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.448 5.434 -1.437 1.00 0.00 C ATOM 989 CD2 PHE A 58 -2.066 5.272 -3.734 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.998 4.189 -1.199 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.618 4.026 -3.502 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.585 3.485 -2.232 1.00 0.00 C ATOM 0 H PHE A 58 0.503 7.725 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 58 1.067 6.543 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.299 8.058 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.158 7.673 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.992 5.981 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.096 5.692 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.969 3.767 -0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.074 3.477 -4.312 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.018 2.513 -2.047 1.00 0.00 H new ATOM 1002 N LEU A 59 1.526 8.676 -4.685 1.00 0.00 N ATOM 1003 CA LEU A 59 2.059 9.866 -5.340 1.00 0.00 C ATOM 1004 C LEU A 59 1.293 11.113 -4.911 1.00 0.00 C ATOM 1005 O LEU A 59 1.878 12.065 -4.392 1.00 0.00 O ATOM 1006 CB LEU A 59 1.989 9.710 -6.861 1.00 0.00 C ATOM 1007 CG LEU A 59 2.780 10.732 -7.677 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.270 10.597 -7.404 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.490 10.567 -9.162 1.00 0.00 C ATOM 0 H LEU A 59 1.436 7.863 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 59 3.101 9.980 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.345 8.713 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.943 9.764 -7.164 1.00 0.00 H new ATOM 0 HG LEU A 59 2.467 11.731 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.816 11.333 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.463 10.766 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.601 9.595 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.061 11.303 -9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.775 9.564 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.426 10.716 -9.344 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.018 11.101 -5.127 1.00 0.00 N ATOM 1022 CA ASP A 60 -0.864 12.229 -4.759 1.00 0.00 C ATOM 1023 C ASP A 60 -2.025 11.774 -3.880 1.00 0.00 C ATOM 1024 O ASP A 60 -2.730 10.820 -4.209 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.399 12.923 -6.013 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.395 14.019 -5.688 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -2.789 14.131 -4.509 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -2.780 14.765 -6.613 1.00 0.00 O ATOM 0 H ASP A 60 -0.518 10.322 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.258 12.936 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.566 13.348 -6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.874 12.184 -6.659 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.217 12.462 -2.760 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.291 12.130 -1.832 1.00 0.00 C ATOM 1035 C LYS A 61 -4.568 11.769 -2.585 1.00 0.00 C ATOM 1036 O LYS A 61 -5.293 10.854 -2.194 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.558 13.304 -0.887 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.093 14.540 -1.589 1.00 0.00 C ATOM 1039 CD LYS A 61 -4.646 15.549 -0.596 1.00 0.00 C ATOM 1040 CE LYS A 61 -5.975 15.090 -0.016 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.044 15.036 -1.052 1.00 0.00 N ATOM 0 H LYS A 61 -1.642 13.254 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.978 11.265 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.272 12.991 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.633 13.561 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.297 15.001 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.876 14.251 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.928 15.698 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.776 16.512 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.854 14.104 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.277 15.769 0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.976 15.039 -0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.965 15.864 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.939 14.167 -1.614 1.00 0.00 H new ATOM 1055 N ASP A 62 -4.836 12.493 -3.666 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.024 12.247 -4.475 1.00 0.00 C ATOM 1057 C ASP A 62 -6.204 10.755 -4.738 1.00 0.00 C ATOM 1058 O ASP A 62 -7.300 10.216 -4.590 1.00 0.00 O ATOM 1059 CB ASP A 62 -5.930 13.003 -5.801 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.151 12.795 -6.675 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -7.194 11.779 -7.400 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.063 13.647 -6.634 1.00 0.00 O ATOM 0 H ASP A 62 -4.247 13.255 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.891 12.607 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.807 14.067 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.041 12.676 -6.340 1.00 0.00 H new ATOM 1067 N SER A 63 -5.119 10.094 -5.130 1.00 0.00 N ATOM 1068 CA SER A 63 -5.158 8.665 -5.418 1.00 0.00 C ATOM 1069 C SER A 63 -5.373 7.858 -4.141 1.00 0.00 C ATOM 1070 O SER A 63 -6.135 6.893 -4.125 1.00 0.00 O ATOM 1071 CB SER A 63 -3.860 8.225 -6.100 1.00 0.00 C ATOM 1072 OG SER A 63 -2.728 8.623 -5.346 1.00 0.00 O ATOM 0 H SER A 63 -4.203 10.525 -5.255 1.00 0.00 H new ATOM 0 HA SER A 63 -5.995 8.478 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.858 7.142 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.806 8.657 -7.099 1.00 0.00 H new ATOM 0 HG SER A 63 -2.647 9.599 -5.368 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.695 8.263 -3.072 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.812 7.580 -1.789 1.00 0.00 C ATOM 1080 C ALA A 64 -6.272 7.446 -1.371 1.00 0.00 C ATOM 1081 O ALA A 64 -6.773 6.338 -1.181 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.021 8.322 -0.722 1.00 0.00 C ATOM 0 H ALA A 64 -4.059 9.060 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.399 6.577 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.117 7.801 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.970 8.361 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.408 9.336 -0.622 1.00 0.00 H new ATOM 1088 N GLN A 65 -6.949 8.581 -1.228 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.352 8.589 -0.830 1.00 0.00 C ATOM 1090 C GLN A 65 -9.088 7.384 -1.407 1.00 0.00 C ATOM 1091 O GLN A 65 -9.639 6.569 -0.668 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.027 9.882 -1.290 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.624 11.101 -0.477 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.474 11.281 0.766 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -8.995 11.120 1.888 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -10.744 11.616 0.571 1.00 0.00 N ATOM 0 H GLN A 65 -6.549 9.507 -1.382 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.396 8.532 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.782 10.057 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.108 9.758 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.577 11.009 -0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.705 11.992 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.099 11.739 -0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.364 11.750 1.369 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.092 7.278 -2.732 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.762 6.173 -3.408 1.00 0.00 C ATOM 1107 C ASN A 66 -9.483 4.852 -2.698 1.00 0.00 C ATOM 1108 O ASN A 66 -10.399 4.202 -2.192 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.305 6.087 -4.866 1.00 0.00 C ATOM 1110 CG ASN A 66 -9.902 4.896 -5.590 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -10.575 4.061 -4.985 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.658 4.813 -6.892 1.00 0.00 N ATOM 0 H ASN A 66 -8.639 7.943 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.835 6.361 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.585 7.003 -5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.217 6.021 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.034 4.034 -7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.095 5.528 -7.352 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.214 4.461 -2.664 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.813 3.217 -2.015 1.00 0.00 C ATOM 1121 C CYS A 67 -8.316 3.168 -0.576 1.00 0.00 C ATOM 1122 O CYS A 67 -8.730 2.116 -0.087 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.291 3.071 -2.042 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.656 1.772 -0.957 1.00 0.00 S ATOM 0 H CYS A 67 -7.445 4.987 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.260 2.389 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.975 2.863 -3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.840 4.021 -1.756 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.608 0.648 -1.608 1.00 0.00 H new ATOM 1130 N THR A 68 -8.277 4.312 0.099 1.00 0.00 N ATOM 1131 CA THR A 68 -8.725 4.400 1.483 1.00 0.00 C ATOM 1132 C THR A 68 -10.202 4.042 1.605 1.00 0.00 C ATOM 1133 O THR A 68 -10.722 3.882 2.710 1.00 0.00 O ATOM 1134 CB THR A 68 -8.501 5.811 2.058 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.322 6.390 1.489 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.368 5.762 3.573 1.00 0.00 C ATOM 0 H THR A 68 -7.939 5.192 -0.291 1.00 0.00 H new ATOM 0 HA THR A 68 -8.132 3.686 2.054 1.00 0.00 H new ATOM 0 HB THR A 68 -9.365 6.425 1.804 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.623 6.448 2.173 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.210 6.770 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.279 5.347 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.519 5.134 3.844 1.00 0.00 H new ATOM 1144 N ARG A 69 -10.873 3.917 0.465 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.291 3.578 0.445 1.00 0.00 C ATOM 1146 C ARG A 69 -12.527 2.270 -0.303 1.00 0.00 C ATOM 1147 O ARG A 69 -13.560 1.624 -0.134 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.097 4.703 -0.206 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.431 4.247 -0.773 1.00 0.00 C ATOM 1150 CD ARG A 69 -14.282 3.719 -2.191 1.00 0.00 C ATOM 1151 NE ARG A 69 -14.420 4.777 -3.187 1.00 0.00 N ATOM 1152 CZ ARG A 69 -15.571 5.380 -3.465 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.678 5.030 -2.825 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -15.616 6.335 -4.385 1.00 0.00 N ATOM 0 H ARG A 69 -10.457 4.045 -0.458 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.623 3.452 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.274 5.486 0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.505 5.147 -1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.851 3.469 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.134 5.080 -0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.307 3.244 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.033 2.950 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.587 5.070 -3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.648 4.296 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.560 5.495 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.766 6.607 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.500 6.797 -4.598 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.561 1.886 -1.132 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.663 0.654 -1.906 1.00 0.00 C ATOM 1170 C ALA A 70 -11.427 -0.568 -1.025 1.00 0.00 C ATOM 1171 O ALA A 70 -12.172 -1.546 -1.093 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.674 0.674 -3.062 1.00 0.00 C ATOM 0 H ALA A 70 -10.699 2.410 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.674 0.589 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.761 -0.251 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.891 1.522 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.660 0.766 -2.672 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.386 -0.506 -0.201 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.053 -1.608 0.692 1.00 0.00 C ATOM 1180 C ILE A 71 -10.706 -1.425 2.058 1.00 0.00 C ATOM 1181 O ILE A 71 -10.939 -2.394 2.780 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.530 -1.741 0.878 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.014 -0.664 1.834 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.822 -1.648 -0.466 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.537 -0.782 2.138 1.00 0.00 C ATOM 0 H ILE A 71 -9.759 0.296 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.435 -2.517 0.228 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.316 -2.718 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.210 0.317 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.574 -0.720 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.746 -1.744 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.171 -2.449 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.041 -0.685 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.242 0.014 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.337 -1.749 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.967 -0.696 1.213 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.001 -0.177 2.405 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.629 0.133 3.684 1.00 0.00 C ATOM 1199 C ASN A 72 -12.916 -0.666 3.866 1.00 0.00 C ATOM 1200 O ASN A 72 -13.868 -0.510 3.103 1.00 0.00 O ATOM 1201 CB ASN A 72 -11.928 1.631 3.779 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.072 1.933 4.728 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -13.074 1.488 5.876 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.051 2.693 4.252 1.00 0.00 N ATOM 0 H ASN A 72 -10.815 0.636 1.818 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.935 -0.144 4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.034 2.157 4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.171 2.014 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.847 2.930 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.007 3.040 3.294 1.00 0.00 H new ATOM 1211 N ASN A 73 -12.936 -1.522 4.882 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.105 -2.346 5.165 1.00 0.00 C ATOM 1213 C ASN A 73 -14.325 -3.376 4.061 1.00 0.00 C ATOM 1214 O ASN A 73 -15.446 -3.566 3.589 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.350 -1.468 5.314 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.509 -2.211 5.949 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -16.365 -2.816 7.012 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -17.666 -2.168 5.299 1.00 0.00 N ATOM 0 H ASN A 73 -12.156 -1.663 5.523 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.927 -2.875 6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.106 -0.596 5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.651 -1.100 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -18.482 -2.649 5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.739 -1.654 4.421 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.247 -4.038 3.655 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.320 -5.050 2.608 1.00 0.00 C ATOM 1227 C LYS A 74 -12.390 -6.219 2.915 1.00 0.00 C ATOM 1228 O LYS A 74 -11.288 -6.028 3.427 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.957 -4.439 1.252 1.00 0.00 C ATOM 1230 CG LYS A 74 -14.002 -3.473 0.722 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.244 -4.204 0.239 1.00 0.00 C ATOM 1232 CE LYS A 74 -16.071 -3.339 -0.700 1.00 0.00 C ATOM 1233 NZ LYS A 74 -17.484 -3.801 -0.780 1.00 0.00 N ATOM 0 H LYS A 74 -12.312 -3.892 4.035 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.344 -5.423 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.004 -3.917 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.815 -5.241 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.276 -2.767 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.579 -2.892 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.952 -5.121 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.851 -4.496 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.046 -2.305 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.627 -3.356 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.014 -3.186 -1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.510 -4.780 -1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.916 -3.761 0.165 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.842 -7.428 2.599 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.049 -8.628 2.842 1.00 0.00 C ATOM 1249 C GLN A 75 -11.052 -8.859 1.711 1.00 0.00 C ATOM 1250 O GLN A 75 -11.439 -9.045 0.556 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.961 -9.846 2.991 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.109 -9.632 3.964 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.089 -10.789 3.975 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -14.848 -11.816 4.610 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -16.203 -10.628 3.270 1.00 0.00 N ATOM 0 H GLN A 75 -13.753 -7.603 2.174 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.493 -8.485 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.368 -10.106 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.366 -10.696 3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.708 -9.491 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.637 -8.716 3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.362 -9.760 2.759 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.900 -11.372 3.240 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.768 -8.846 2.049 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.714 -9.054 1.062 1.00 0.00 C ATOM 1266 C LEU A 76 -7.835 -10.240 1.446 1.00 0.00 C ATOM 1267 O LEU A 76 -7.516 -10.436 2.619 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.859 -7.793 0.926 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.527 -6.599 0.243 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.493 -5.911 1.195 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.479 -5.617 -0.259 1.00 0.00 C ATOM 0 H LEU A 76 -9.431 -8.694 3.000 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.185 -9.270 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.541 -7.485 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.958 -8.048 0.368 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.093 -6.965 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.959 -5.064 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.263 -6.617 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.950 -5.558 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.972 -4.774 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.885 -5.257 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.827 -6.116 -0.976 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.444 -11.027 0.449 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.600 -12.193 0.682 1.00 0.00 C ATOM 1285 C PHE A 77 -7.117 -13.013 1.860 1.00 0.00 C ATOM 1286 O PHE A 77 -6.355 -13.709 2.529 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.156 -11.760 0.942 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.470 -11.200 -0.271 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.636 -9.870 -0.625 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.659 -12.002 -1.057 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.007 -9.353 -1.741 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -3.026 -11.490 -2.174 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.200 -10.163 -2.516 1.00 0.00 C ATOM 0 H PHE A 77 -7.698 -10.878 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.630 -12.816 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.147 -11.010 1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.589 -12.616 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.264 -9.231 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.520 -13.040 -0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.146 -8.316 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.396 -12.126 -2.778 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.706 -9.760 -3.388 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.420 -12.923 2.110 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.018 -13.659 3.208 1.00 0.00 C ATOM 1305 C GLY A 78 -8.708 -13.042 4.557 1.00 0.00 C ATOM 1306 O GLY A 78 -8.251 -13.729 5.471 1.00 0.00 O ATOM 0 H GLY A 78 -9.072 -12.353 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.098 -13.698 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.657 -14.687 3.191 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.956 -11.742 4.682 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.698 -11.032 5.929 1.00 0.00 C ATOM 1312 C ARG A 79 -9.253 -9.612 5.870 1.00 0.00 C ATOM 1313 O ARG A 79 -8.867 -8.818 5.011 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.196 -10.993 6.216 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.335 -11.003 4.963 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.885 -11.327 5.286 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.222 -12.024 4.187 1.00 0.00 N ATOM 1318 CZ ARG A 79 -4.262 -13.341 4.023 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -4.929 -14.100 4.881 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.633 -13.902 2.998 1.00 0.00 N ATOM 0 H ARG A 79 -9.335 -11.160 3.935 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.201 -11.567 6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.969 -10.098 6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.931 -11.850 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.725 -11.738 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.391 -10.031 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.348 -10.405 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.843 -11.943 6.184 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.700 -11.469 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.414 -13.673 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.958 -15.111 4.752 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.118 -13.321 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.664 -14.914 2.872 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.160 -9.298 6.789 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.768 -7.974 6.843 1.00 0.00 C ATOM 1336 C VAL A 80 -9.707 -6.888 6.976 1.00 0.00 C ATOM 1337 O VAL A 80 -9.165 -6.664 8.059 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.757 -7.858 8.018 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.438 -6.498 8.011 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.785 -8.978 7.962 1.00 0.00 C ATOM 0 H VAL A 80 -10.490 -9.943 7.507 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.310 -7.836 5.907 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.199 -7.954 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.133 -6.435 8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.686 -5.714 8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.984 -6.369 7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.476 -8.880 8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.339 -8.916 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.278 -9.941 8.021 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.416 -6.214 5.868 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.420 -5.149 5.862 1.00 0.00 C ATOM 1352 C ILE A 81 -9.063 -3.794 6.137 1.00 0.00 C ATOM 1353 O ILE A 81 -10.117 -3.471 5.588 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.672 -5.086 4.517 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.974 -6.418 4.235 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.666 -3.945 4.524 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.886 -6.320 3.188 1.00 0.00 C ATOM 0 H ILE A 81 -9.855 -6.386 4.964 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.708 -5.378 6.655 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.396 -4.901 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.542 -6.796 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.717 -7.146 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.145 -3.913 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.187 -3.001 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.944 -4.102 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.435 -7.301 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.315 -5.972 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.123 -5.616 3.521 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.421 -3.003 6.990 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.928 -1.680 7.336 1.00 0.00 C ATOM 1371 C LYS A 82 -8.069 -0.587 6.709 1.00 0.00 C ATOM 1372 O LYS A 82 -6.843 -0.693 6.670 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.962 -1.507 8.857 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.233 -2.032 9.500 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.336 -3.544 9.379 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.263 -4.125 10.435 1.00 0.00 C ATOM 1377 NZ LYS A 82 -12.554 -3.387 10.508 1.00 0.00 N ATOM 0 H LYS A 82 -7.549 -3.255 7.455 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.941 -1.592 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.105 -2.022 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.854 -0.449 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.254 -1.748 10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.099 -1.568 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.703 -3.807 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.345 -3.987 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.457 -5.174 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.771 -4.093 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.241 -3.943 11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.403 -2.468 10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.921 -3.234 9.547 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.720 0.463 6.220 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.015 1.577 5.597 1.00 0.00 C ATOM 1393 C ALA A 83 -8.467 2.910 6.184 1.00 0.00 C ATOM 1394 O ALA A 83 -9.641 3.089 6.508 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.228 1.561 4.091 1.00 0.00 C ATOM 0 H ALA A 83 -9.735 0.566 6.243 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.951 1.462 5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.696 2.398 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.848 0.626 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.292 1.648 3.873 1.00 0.00 H new ATOM 1401 N SER A 84 -7.529 3.841 6.318 1.00 0.00 N ATOM 1402 CA SER A 84 -7.831 5.156 6.871 1.00 0.00 C ATOM 1403 C SER A 84 -6.670 6.120 6.645 1.00 0.00 C ATOM 1404 O SER A 84 -5.506 5.756 6.810 1.00 0.00 O ATOM 1405 CB SER A 84 -8.135 5.048 8.366 1.00 0.00 C ATOM 1406 OG SER A 84 -6.941 4.940 9.122 1.00 0.00 O ATOM 0 H SER A 84 -6.553 3.709 6.051 1.00 0.00 H new ATOM 0 HA SER A 84 -8.710 5.545 6.357 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.697 5.924 8.690 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.766 4.178 8.550 1.00 0.00 H new ATOM 0 HG SER A 84 -6.805 4.006 9.387 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.997 7.351 6.265 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.982 8.368 6.017 1.00 0.00 C ATOM 1414 C ILE A 85 -5.119 8.596 7.253 1.00 0.00 C ATOM 1415 O ILE A 85 -5.632 8.829 8.347 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.617 9.706 5.595 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.487 9.512 4.351 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.538 10.747 5.337 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.691 9.234 3.095 1.00 0.00 C ATOM 0 H ILE A 85 -7.956 7.668 6.122 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.358 7.999 5.203 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.251 10.063 6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.177 8.686 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.092 10.405 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.003 11.687 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.957 10.901 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.880 10.400 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.372 9.107 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.021 10.070 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.106 8.324 3.229 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.804 8.528 7.071 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.868 8.730 8.170 1.00 0.00 C ATOM 1433 C ALA A 86 -2.449 10.193 8.272 1.00 0.00 C ATOM 1434 O ALA A 86 -1.799 10.726 7.372 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.647 7.840 7.995 1.00 0.00 C ATOM 0 H ALA A 86 -3.363 8.334 6.172 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.371 8.458 9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.957 8.002 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.957 6.795 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.150 8.084 7.056 1.00 0.00 H new