USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 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 Set 1.1: A 22 THR OG1 : rot 180:sc= -0.0706 USER MOD Set 1.2: A 23 ASN : amide:sc= -1.61 K(o=-1.7,f=-4.7!) USER MOD Single : A 10 SER OG : rot 20:sc= 0.284 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 15 SER OG : rot 180:sc= -0.429 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.398 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 1.15 (180deg=-0.276) USER MOD Single : A 33 TYR OH : rot 150:sc=-0.00141 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -151:sc= -0.641 (180deg=-3.19!) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.556 (180deg=-1.53!) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.406 (180deg=-0.981) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -107:sc= -0.944 (180deg=-3.08!) USER MOD Single : A 61 LYS NZ :NH3+ 144:sc= -0.539 (180deg=-2.01!) USER MOD Single : A 63 SER OG : rot -170:sc= -0.117 USER MOD Single : A 65 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.56) USER MOD Single : A 66 ASN : amide:sc=-0.000647 K(o=-0.00065,f=-1.4) USER MOD Single : A 67 CYS SG : rot 88:sc= 1.05 USER MOD Single : A 68 THR OG1 : rot 150:sc= 0.0122 USER MOD Single : A 72 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.026) USER MOD Single : A 73 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) 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=-0.37) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 4:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.624 11.833 1.862 1.00 0.00 N ATOM 185 CA SER A 10 -1.613 10.748 0.888 1.00 0.00 C ATOM 186 C SER A 10 -1.501 9.395 1.583 1.00 0.00 C ATOM 187 O SER A 10 -2.281 8.480 1.316 1.00 0.00 O ATOM 188 CB SER A 10 -0.453 10.928 -0.093 1.00 0.00 C ATOM 189 OG SER A 10 -0.373 12.267 -0.549 1.00 0.00 O ATOM 0 HA SER A 10 -2.553 10.777 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.483 10.649 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.584 10.258 -0.943 1.00 0.00 H new ATOM 0 HG SER A 10 -0.857 12.853 0.070 1.00 0.00 H new ATOM 195 N THR A 11 -0.525 9.275 2.477 1.00 0.00 N ATOM 196 CA THR A 11 -0.309 8.034 3.211 1.00 0.00 C ATOM 197 C THR A 11 -1.633 7.369 3.569 1.00 0.00 C ATOM 198 O THR A 11 -2.580 8.035 3.989 1.00 0.00 O ATOM 199 CB THR A 11 0.496 8.277 4.502 1.00 0.00 C ATOM 200 OG1 THR A 11 1.783 8.817 4.182 1.00 0.00 O ATOM 201 CG2 THR A 11 0.663 6.985 5.287 1.00 0.00 C ATOM 0 H THR A 11 0.129 10.022 2.710 1.00 0.00 H new ATOM 0 HA THR A 11 0.260 7.375 2.556 1.00 0.00 H new ATOM 0 HB THR A 11 -0.053 8.989 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.288 8.970 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.234 7.182 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.318 6.592 5.554 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.192 6.254 4.676 1.00 0.00 H new ATOM 209 N VAL A 12 -1.694 6.052 3.401 1.00 0.00 N ATOM 210 CA VAL A 12 -2.902 5.296 3.709 1.00 0.00 C ATOM 211 C VAL A 12 -2.632 4.237 4.771 1.00 0.00 C ATOM 212 O VAL A 12 -1.820 3.334 4.571 1.00 0.00 O ATOM 213 CB VAL A 12 -3.472 4.613 2.451 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.743 3.848 2.789 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.731 5.639 1.359 1.00 0.00 C ATOM 0 H VAL A 12 -0.920 5.486 3.053 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.633 6.009 4.090 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.736 3.900 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.132 3.372 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.521 3.085 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.488 4.538 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.133 5.139 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.449 6.378 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.797 6.137 1.099 1.00 0.00 H new ATOM 225 N TYR A 13 -3.319 4.354 5.902 1.00 0.00 N ATOM 226 CA TYR A 13 -3.153 3.407 6.999 1.00 0.00 C ATOM 227 C TYR A 13 -3.894 2.105 6.712 1.00 0.00 C ATOM 228 O TYR A 13 -5.118 2.036 6.825 1.00 0.00 O ATOM 229 CB TYR A 13 -3.658 4.017 8.308 1.00 0.00 C ATOM 230 CG TYR A 13 -3.196 3.273 9.540 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.484 1.925 9.711 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.469 3.918 10.533 1.00 0.00 C ATOM 233 CE1 TYR A 13 -3.065 1.241 10.836 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.044 3.242 11.661 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.345 1.904 11.808 1.00 0.00 C ATOM 236 OH TYR A 13 -1.924 1.227 12.929 1.00 0.00 O ATOM 0 H TYR A 13 -3.996 5.095 6.083 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.090 3.185 7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.321 5.052 8.371 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.748 4.037 8.293 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.046 1.402 8.951 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.232 4.966 10.421 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.300 0.193 10.954 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.479 3.758 12.423 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.429 1.838 13.514 1.00 0.00 H new ATOM 246 N VAL A 14 -3.143 1.074 6.340 1.00 0.00 N ATOM 247 CA VAL A 14 -3.727 -0.228 6.037 1.00 0.00 C ATOM 248 C VAL A 14 -3.257 -1.284 7.031 1.00 0.00 C ATOM 249 O VAL A 14 -2.057 -1.469 7.235 1.00 0.00 O ATOM 250 CB VAL A 14 -3.370 -0.685 4.611 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.345 -1.750 4.132 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.354 0.502 3.659 1.00 0.00 C ATOM 0 H VAL A 14 -2.129 1.114 6.241 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.809 -0.116 6.114 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.371 -1.121 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.077 -2.061 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.301 -2.610 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.356 -1.343 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.100 0.160 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.338 0.970 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.612 1.227 3.994 1.00 0.00 H new ATOM 262 N SER A 15 -4.211 -1.976 7.646 1.00 0.00 N ATOM 263 CA SER A 15 -3.896 -3.013 8.621 1.00 0.00 C ATOM 264 C SER A 15 -4.470 -4.359 8.188 1.00 0.00 C ATOM 265 O SER A 15 -5.089 -4.471 7.131 1.00 0.00 O ATOM 266 CB SER A 15 -4.443 -2.632 9.998 1.00 0.00 C ATOM 267 OG SER A 15 -3.646 -3.182 11.033 1.00 0.00 O ATOM 0 H SER A 15 -5.209 -1.837 7.486 1.00 0.00 H new ATOM 0 HA SER A 15 -2.811 -3.102 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.471 -1.547 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.469 -2.987 10.097 1.00 0.00 H new ATOM 0 HG SER A 15 -4.015 -2.923 11.903 1.00 0.00 H new ATOM 273 N ASN A 16 -4.259 -5.378 9.014 1.00 0.00 N ATOM 274 CA ASN A 16 -4.755 -6.718 8.718 1.00 0.00 C ATOM 275 C ASN A 16 -4.226 -7.208 7.373 1.00 0.00 C ATOM 276 O ASN A 16 -4.887 -7.981 6.678 1.00 0.00 O ATOM 277 CB ASN A 16 -6.285 -6.728 8.711 1.00 0.00 C ATOM 278 CG ASN A 16 -6.867 -7.035 10.077 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.901 -6.175 10.957 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.329 -8.266 10.260 1.00 0.00 N ATOM 0 H ASN A 16 -3.748 -5.302 9.894 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.398 -7.392 9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.650 -5.758 8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.638 -7.469 7.994 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.733 -8.531 11.159 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.280 -8.947 9.502 1.00 0.00 H new ATOM 287 N LEU A 17 -3.031 -6.754 7.013 1.00 0.00 N ATOM 288 CA LEU A 17 -2.411 -7.147 5.752 1.00 0.00 C ATOM 289 C LEU A 17 -1.591 -8.422 5.922 1.00 0.00 C ATOM 290 O LEU A 17 -0.953 -8.646 6.951 1.00 0.00 O ATOM 291 CB LEU A 17 -1.521 -6.020 5.226 1.00 0.00 C ATOM 292 CG LEU A 17 -2.247 -4.802 4.655 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.310 -3.606 4.586 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.815 -5.116 3.279 1.00 0.00 C ATOM 0 H LEU A 17 -2.472 -6.113 7.576 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.204 -7.342 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.875 -5.685 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.873 -6.428 4.450 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.074 -4.552 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.844 -2.748 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.951 -3.366 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.462 -3.845 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.328 -4.237 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.004 -5.392 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.520 -5.944 3.357 1.00 0.00 H new ATOM 306 N PRO A 18 -1.605 -9.277 4.888 1.00 0.00 N ATOM 307 CA PRO A 18 -0.865 -10.542 4.898 1.00 0.00 C ATOM 308 C PRO A 18 0.644 -10.332 4.831 1.00 0.00 C ATOM 309 O PRO A 18 1.250 -10.449 3.766 1.00 0.00 O ATOM 310 CB PRO A 18 -1.363 -11.254 3.637 1.00 0.00 C ATOM 311 CG PRO A 18 -1.809 -10.156 2.734 1.00 0.00 C ATOM 312 CD PRO A 18 -2.343 -9.074 3.631 1.00 0.00 C ATOM 0 HA PRO A 18 -1.032 -11.105 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.572 -11.847 3.178 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.182 -11.937 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.981 -9.788 2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.577 -10.506 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.163 -8.083 3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.419 -9.168 3.777 1.00 0.00 H new ATOM 320 N PHE A 19 1.245 -10.022 5.975 1.00 0.00 N ATOM 321 CA PHE A 19 2.684 -9.796 6.045 1.00 0.00 C ATOM 322 C PHE A 19 3.434 -10.784 5.157 1.00 0.00 C ATOM 323 O PHE A 19 4.519 -10.487 4.658 1.00 0.00 O ATOM 324 CB PHE A 19 3.171 -9.920 7.490 1.00 0.00 C ATOM 325 CG PHE A 19 2.518 -11.040 8.249 1.00 0.00 C ATOM 326 CD1 PHE A 19 3.047 -12.320 8.210 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.377 -10.813 9.000 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.450 -13.354 8.907 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.775 -11.843 9.699 1.00 0.00 C ATOM 330 CZ PHE A 19 1.312 -13.114 9.652 1.00 0.00 C ATOM 0 H PHE A 19 0.758 -9.922 6.866 1.00 0.00 H new ATOM 0 HA PHE A 19 2.886 -8.787 5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.250 -10.073 7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.983 -8.981 8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.936 -12.512 7.628 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.953 -9.821 9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.873 -14.347 8.869 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.115 -11.653 10.281 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.843 -13.920 10.197 1.00 0.00 H new ATOM 340 N SER A 20 2.847 -11.961 4.965 1.00 0.00 N ATOM 341 CA SER A 20 3.462 -12.996 4.141 1.00 0.00 C ATOM 342 C SER A 20 4.075 -12.393 2.880 1.00 0.00 C ATOM 343 O SER A 20 5.148 -12.807 2.439 1.00 0.00 O ATOM 344 CB SER A 20 2.427 -14.056 3.762 1.00 0.00 C ATOM 345 OG SER A 20 1.774 -14.566 4.911 1.00 0.00 O ATOM 0 H SER A 20 1.947 -12.222 5.368 1.00 0.00 H new ATOM 0 HA SER A 20 4.256 -13.465 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.691 -13.624 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.915 -14.870 3.226 1.00 0.00 H new ATOM 0 HG SER A 20 1.116 -15.240 4.641 1.00 0.00 H new ATOM 351 N LEU A 21 3.386 -11.414 2.305 1.00 0.00 N ATOM 352 CA LEU A 21 3.861 -10.754 1.094 1.00 0.00 C ATOM 353 C LEU A 21 5.078 -9.883 1.391 1.00 0.00 C ATOM 354 O LEU A 21 5.592 -9.875 2.510 1.00 0.00 O ATOM 355 CB LEU A 21 2.747 -9.902 0.483 1.00 0.00 C ATOM 356 CG LEU A 21 1.349 -10.522 0.488 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.313 -9.504 0.037 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.310 -11.756 -0.400 1.00 0.00 C ATOM 0 H LEU A 21 2.497 -11.060 2.657 1.00 0.00 H new ATOM 0 HA LEU A 21 4.153 -11.524 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.705 -8.955 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.017 -9.671 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 21 1.110 -10.826 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.676 -9.962 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.324 -8.650 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.548 -9.169 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.308 -12.184 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.570 -11.478 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.025 -12.492 -0.032 1.00 0.00 H new ATOM 370 N THR A 22 5.534 -9.148 0.381 1.00 0.00 N ATOM 371 CA THR A 22 6.689 -8.272 0.534 1.00 0.00 C ATOM 372 C THR A 22 6.409 -6.887 -0.038 1.00 0.00 C ATOM 373 O THR A 22 5.492 -6.711 -0.839 1.00 0.00 O ATOM 374 CB THR A 22 7.934 -8.859 -0.158 1.00 0.00 C ATOM 375 OG1 THR A 22 9.075 -8.035 0.105 1.00 0.00 O ATOM 376 CG2 THR A 22 7.716 -8.969 -1.660 1.00 0.00 C ATOM 0 H THR A 22 5.121 -9.142 -0.552 1.00 0.00 H new ATOM 0 HA THR A 22 6.882 -8.188 1.603 1.00 0.00 H new ATOM 0 HB THR A 22 8.108 -9.858 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.862 -8.416 -0.337 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.608 -9.386 -2.128 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.865 -9.620 -1.857 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.519 -7.980 -2.072 1.00 0.00 H new ATOM 384 N ASN A 23 7.205 -5.908 0.378 1.00 0.00 N ATOM 385 CA ASN A 23 7.042 -4.538 -0.094 1.00 0.00 C ATOM 386 C ASN A 23 6.566 -4.515 -1.544 1.00 0.00 C ATOM 387 O ASN A 23 5.573 -3.867 -1.871 1.00 0.00 O ATOM 388 CB ASN A 23 8.360 -3.772 0.034 1.00 0.00 C ATOM 389 CG ASN A 23 9.512 -4.485 -0.648 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.640 -4.452 -1.872 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.356 -5.136 0.143 1.00 0.00 N ATOM 0 H ASN A 23 7.969 -6.038 1.041 1.00 0.00 H new ATOM 0 HA ASN A 23 6.287 -4.054 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.243 -2.779 -0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.596 -3.634 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.149 -5.636 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.211 -5.137 1.153 1.00 0.00 H new ATOM 398 N ASN A 24 7.282 -5.227 -2.407 1.00 0.00 N ATOM 399 CA ASN A 24 6.933 -5.289 -3.822 1.00 0.00 C ATOM 400 C ASN A 24 5.457 -5.631 -4.004 1.00 0.00 C ATOM 401 O ASN A 24 4.721 -4.911 -4.678 1.00 0.00 O ATOM 402 CB ASN A 24 7.801 -6.326 -4.538 1.00 0.00 C ATOM 403 CG ASN A 24 7.531 -6.375 -6.030 1.00 0.00 C ATOM 404 OD1 ASN A 24 6.918 -7.318 -6.530 1.00 0.00 O ATOM 405 ND2 ASN A 24 7.989 -5.356 -6.747 1.00 0.00 N ATOM 0 H ASN A 24 8.107 -5.769 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 24 7.117 -4.308 -4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.853 -6.094 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.618 -7.310 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.838 -5.333 -7.755 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.492 -4.596 -6.289 1.00 0.00 H new ATOM 412 N ASP A 25 5.033 -6.735 -3.398 1.00 0.00 N ATOM 413 CA ASP A 25 3.645 -7.172 -3.491 1.00 0.00 C ATOM 414 C ASP A 25 2.690 -6.013 -3.224 1.00 0.00 C ATOM 415 O ASP A 25 1.905 -5.629 -4.092 1.00 0.00 O ATOM 416 CB ASP A 25 3.378 -8.307 -2.500 1.00 0.00 C ATOM 417 CG ASP A 25 3.795 -9.660 -3.044 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.733 -9.848 -4.276 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.183 -10.530 -2.236 1.00 0.00 O ATOM 0 H ASP A 25 5.630 -7.343 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 25 3.472 -7.535 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.916 -8.110 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.316 -8.329 -2.254 1.00 0.00 H new ATOM 424 N LEU A 26 2.762 -5.460 -2.018 1.00 0.00 N ATOM 425 CA LEU A 26 1.904 -4.344 -1.636 1.00 0.00 C ATOM 426 C LEU A 26 1.910 -3.259 -2.709 1.00 0.00 C ATOM 427 O LEU A 26 0.865 -2.910 -3.259 1.00 0.00 O ATOM 428 CB LEU A 26 2.361 -3.758 -0.299 1.00 0.00 C ATOM 429 CG LEU A 26 2.265 -4.689 0.910 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.956 -4.071 2.115 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.810 -5.001 1.228 1.00 0.00 C ATOM 0 H LEU A 26 3.406 -5.766 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 26 0.886 -4.720 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.397 -3.435 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.768 -2.867 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 26 2.771 -5.623 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.878 -4.748 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.007 -3.900 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.479 -3.122 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.760 -5.665 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.280 -4.075 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.346 -5.487 0.370 1.00 0.00 H new ATOM 443 N TYR A 27 3.093 -2.732 -3.002 1.00 0.00 N ATOM 444 CA TYR A 27 3.236 -1.687 -4.009 1.00 0.00 C ATOM 445 C TYR A 27 2.237 -1.885 -5.145 1.00 0.00 C ATOM 446 O TYR A 27 1.440 -0.998 -5.448 1.00 0.00 O ATOM 447 CB TYR A 27 4.661 -1.676 -4.564 1.00 0.00 C ATOM 448 CG TYR A 27 4.877 -0.654 -5.658 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.355 -0.851 -6.931 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.603 0.506 -5.420 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.550 0.079 -7.934 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.801 1.442 -6.416 1.00 0.00 C ATOM 453 CZ TYR A 27 5.273 1.224 -7.671 1.00 0.00 C ATOM 454 OH TYR A 27 5.470 2.153 -8.667 1.00 0.00 O ATOM 0 H TYR A 27 3.967 -3.011 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 27 3.032 -0.728 -3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.358 -1.477 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.899 -2.667 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.788 -1.746 -7.140 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.020 0.679 -4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.139 -0.090 -8.918 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.366 2.340 -6.213 1.00 0.00 H new ATOM 0 HH TYR A 27 4.711 2.134 -9.287 1.00 0.00 H new ATOM 464 N ARG A 28 2.288 -3.057 -5.771 1.00 0.00 N ATOM 465 CA ARG A 28 1.389 -3.374 -6.874 1.00 0.00 C ATOM 466 C ARG A 28 -0.057 -3.451 -6.392 1.00 0.00 C ATOM 467 O ARG A 28 -0.926 -2.731 -6.886 1.00 0.00 O ATOM 468 CB ARG A 28 1.792 -4.698 -7.525 1.00 0.00 C ATOM 469 CG ARG A 28 3.135 -4.643 -8.235 1.00 0.00 C ATOM 470 CD ARG A 28 3.752 -6.026 -8.368 1.00 0.00 C ATOM 471 NE ARG A 28 3.073 -6.834 -9.378 1.00 0.00 N ATOM 472 CZ ARG A 28 3.367 -6.790 -10.673 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.322 -5.982 -11.112 1.00 0.00 N ATOM 474 NH2 ARG A 28 2.705 -7.555 -11.531 1.00 0.00 N ATOM 0 H ARG A 28 2.942 -3.802 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 28 1.466 -2.576 -7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.826 -5.474 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.024 -4.990 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.007 -4.204 -9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.813 -3.992 -7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.806 -5.929 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.708 -6.536 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 28 2.333 -7.466 -9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.833 -5.392 -10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.546 -5.950 -12.107 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.970 -8.178 -11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.931 -7.520 -12.525 1.00 0.00 H new ATOM 488 N ILE A 29 -0.307 -4.329 -5.426 1.00 0.00 N ATOM 489 CA ILE A 29 -1.647 -4.500 -4.878 1.00 0.00 C ATOM 490 C ILE A 29 -2.356 -3.158 -4.732 1.00 0.00 C ATOM 491 O ILE A 29 -3.517 -3.012 -5.115 1.00 0.00 O ATOM 492 CB ILE A 29 -1.609 -5.200 -3.507 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.035 -6.611 -3.646 1.00 0.00 C ATOM 494 CG2 ILE A 29 -3.002 -5.246 -2.897 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.570 -7.207 -2.336 1.00 0.00 C ATOM 0 H ILE A 29 0.401 -4.933 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.198 -5.125 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.961 -4.629 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.793 -7.261 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.197 -6.586 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.959 -5.744 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.376 -4.230 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.671 -5.797 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.175 -8.208 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.211 -6.579 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.410 -7.264 -1.644 1.00 0.00 H new ATOM 507 N PHE A 30 -1.650 -2.179 -4.176 1.00 0.00 N ATOM 508 CA PHE A 30 -2.211 -0.848 -3.979 1.00 0.00 C ATOM 509 C PHE A 30 -2.159 -0.039 -5.272 1.00 0.00 C ATOM 510 O PHE A 30 -2.969 0.863 -5.486 1.00 0.00 O ATOM 511 CB PHE A 30 -1.455 -0.110 -2.872 1.00 0.00 C ATOM 512 CG PHE A 30 -1.658 -0.706 -1.509 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.822 -0.463 -0.798 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.684 -1.510 -0.937 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.011 -1.009 0.457 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.867 -2.059 0.318 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.033 -1.809 1.016 1.00 0.00 C ATOM 0 H PHE A 30 -0.688 -2.283 -3.854 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.254 -0.961 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.390 -0.112 -3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.776 0.932 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.591 0.161 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.229 -1.710 -1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.923 -0.811 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.100 -2.683 0.753 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.180 -2.238 1.996 1.00 0.00 H new ATOM 527 N SER A 31 -1.199 -0.369 -6.131 1.00 0.00 N ATOM 528 CA SER A 31 -1.037 0.329 -7.401 1.00 0.00 C ATOM 529 C SER A 31 -2.343 0.331 -8.190 1.00 0.00 C ATOM 530 O SER A 31 -2.672 1.306 -8.866 1.00 0.00 O ATOM 531 CB SER A 31 0.071 -0.325 -8.229 1.00 0.00 C ATOM 532 OG SER A 31 0.275 0.369 -9.447 1.00 0.00 O ATOM 0 H SER A 31 -0.522 -1.115 -5.970 1.00 0.00 H new ATOM 0 HA SER A 31 -0.760 1.361 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.998 -0.339 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.191 -1.362 -8.437 1.00 0.00 H new ATOM 0 HG SER A 31 0.989 -0.068 -9.957 1.00 0.00 H new ATOM 538 N LYS A 32 -3.084 -0.768 -8.099 1.00 0.00 N ATOM 539 CA LYS A 32 -4.355 -0.895 -8.802 1.00 0.00 C ATOM 540 C LYS A 32 -5.188 0.373 -8.652 1.00 0.00 C ATOM 541 O LYS A 32 -6.028 0.679 -9.500 1.00 0.00 O ATOM 542 CB LYS A 32 -5.137 -2.098 -8.270 1.00 0.00 C ATOM 543 CG LYS A 32 -5.853 -1.827 -6.959 1.00 0.00 C ATOM 544 CD LYS A 32 -6.791 -2.963 -6.590 1.00 0.00 C ATOM 545 CE LYS A 32 -6.027 -4.169 -6.066 1.00 0.00 C ATOM 546 NZ LYS A 32 -5.839 -4.109 -4.590 1.00 0.00 N ATOM 0 H LYS A 32 -2.826 -1.584 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.143 -1.046 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.869 -2.404 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.452 -2.935 -8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.119 -1.687 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.418 -0.898 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.497 -2.622 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.375 -3.252 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.565 -5.081 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.054 -4.222 -6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.733 -5.073 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.986 -3.556 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.667 -3.656 -4.153 1.00 0.00 H new ATOM 560 N TYR A 33 -4.951 1.108 -7.572 1.00 0.00 N ATOM 561 CA TYR A 33 -5.681 2.343 -7.311 1.00 0.00 C ATOM 562 C TYR A 33 -4.848 3.560 -7.701 1.00 0.00 C ATOM 563 O TYR A 33 -5.279 4.391 -8.500 1.00 0.00 O ATOM 564 CB TYR A 33 -6.069 2.429 -5.834 1.00 0.00 C ATOM 565 CG TYR A 33 -6.906 1.262 -5.359 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.216 1.100 -5.791 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.385 0.321 -4.479 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.984 0.037 -5.359 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.145 -0.747 -4.043 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.444 -0.884 -4.485 1.00 0.00 C ATOM 571 OH TYR A 33 -9.206 -1.946 -4.054 1.00 0.00 O ATOM 0 H TYR A 33 -4.258 0.870 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.587 2.335 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.162 2.484 -5.231 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.621 3.354 -5.665 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.641 1.818 -6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.368 0.427 -4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.002 -0.073 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.724 -1.470 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.624 -2.713 -3.870 1.00 0.00 H new ATOM 581 N GLY A 34 -3.652 3.659 -7.130 1.00 0.00 N ATOM 582 CA GLY A 34 -2.776 4.777 -7.430 1.00 0.00 C ATOM 583 C GLY A 34 -1.309 4.405 -7.339 1.00 0.00 C ATOM 584 O GLY A 34 -0.933 3.510 -6.582 1.00 0.00 O ATOM 0 H GLY A 34 -3.273 2.985 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.993 5.145 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.984 5.593 -6.738 1.00 0.00 H new ATOM 588 N LYS A 35 -0.477 5.093 -8.114 1.00 0.00 N ATOM 589 CA LYS A 35 0.957 4.831 -8.120 1.00 0.00 C ATOM 590 C LYS A 35 1.541 4.975 -6.718 1.00 0.00 C ATOM 591 O LYS A 35 1.230 5.925 -5.999 1.00 0.00 O ATOM 592 CB LYS A 35 1.667 5.786 -9.081 1.00 0.00 C ATOM 593 CG LYS A 35 2.943 5.215 -9.675 1.00 0.00 C ATOM 594 CD LYS A 35 4.145 5.497 -8.789 1.00 0.00 C ATOM 595 CE LYS A 35 5.452 5.276 -9.536 1.00 0.00 C ATOM 596 NZ LYS A 35 6.631 5.682 -8.723 1.00 0.00 N ATOM 0 H LYS A 35 -0.772 5.837 -8.747 1.00 0.00 H new ATOM 0 HA LYS A 35 1.113 3.806 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.985 6.047 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.904 6.710 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.833 4.139 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.109 5.644 -10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.100 6.525 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.112 4.850 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.542 4.224 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.439 5.844 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.502 5.516 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.558 6.692 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.658 5.122 -7.847 1.00 0.00 H new ATOM 610 N VAL A 36 2.392 4.027 -6.336 1.00 0.00 N ATOM 611 CA VAL A 36 3.022 4.051 -5.021 1.00 0.00 C ATOM 612 C VAL A 36 4.447 4.586 -5.105 1.00 0.00 C ATOM 613 O VAL A 36 5.212 4.210 -5.993 1.00 0.00 O ATOM 614 CB VAL A 36 3.048 2.647 -4.387 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.794 2.675 -3.061 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.634 2.120 -4.201 1.00 0.00 C ATOM 0 H VAL A 36 2.661 3.234 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 36 2.425 4.714 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 36 3.576 1.972 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.803 1.675 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.819 3.007 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.296 3.363 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.672 1.127 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.078 2.793 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.137 2.062 -5.169 1.00 0.00 H new ATOM 626 N VAL A 37 4.799 5.465 -4.172 1.00 0.00 N ATOM 627 CA VAL A 37 6.133 6.051 -4.138 1.00 0.00 C ATOM 628 C VAL A 37 7.005 5.374 -3.086 1.00 0.00 C ATOM 629 O VAL A 37 8.176 5.082 -3.329 1.00 0.00 O ATOM 630 CB VAL A 37 6.075 7.562 -3.845 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.478 8.143 -3.754 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.260 8.280 -4.911 1.00 0.00 C ATOM 0 H VAL A 37 4.178 5.787 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 37 6.572 5.896 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 37 5.584 7.709 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.417 9.211 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.025 7.648 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.999 7.986 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.229 9.347 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.721 8.126 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.245 7.882 -4.922 1.00 0.00 H new ATOM 642 N LYS A 38 6.425 5.126 -1.916 1.00 0.00 N ATOM 643 CA LYS A 38 7.147 4.481 -0.826 1.00 0.00 C ATOM 644 C LYS A 38 6.224 3.567 -0.028 1.00 0.00 C ATOM 645 O LYS A 38 5.118 3.959 0.347 1.00 0.00 O ATOM 646 CB LYS A 38 7.764 5.534 0.098 1.00 0.00 C ATOM 647 CG LYS A 38 8.929 6.283 -0.525 1.00 0.00 C ATOM 648 CD LYS A 38 9.887 6.804 0.534 1.00 0.00 C ATOM 649 CE LYS A 38 9.496 8.197 1.002 1.00 0.00 C ATOM 650 NZ LYS A 38 10.671 8.964 1.502 1.00 0.00 N ATOM 0 H LYS A 38 5.457 5.362 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 38 7.943 3.875 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.994 6.250 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.103 5.048 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.464 5.623 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.552 7.117 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.896 6.122 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.900 6.825 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.032 8.740 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.750 8.118 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.363 9.908 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.099 8.459 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.372 9.061 0.740 1.00 0.00 H new ATOM 664 N VAL A 39 6.684 2.347 0.231 1.00 0.00 N ATOM 665 CA VAL A 39 5.900 1.378 0.987 1.00 0.00 C ATOM 666 C VAL A 39 6.380 1.290 2.431 1.00 0.00 C ATOM 667 O VAL A 39 7.366 0.615 2.730 1.00 0.00 O ATOM 668 CB VAL A 39 5.970 -0.022 0.348 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.166 -1.022 1.164 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.477 0.025 -1.091 1.00 0.00 C ATOM 0 H VAL A 39 7.596 2.006 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 39 4.867 1.725 0.971 1.00 0.00 H new ATOM 0 HB VAL A 39 7.010 -0.349 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.227 -2.005 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.569 -1.075 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.124 -0.704 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.533 -0.972 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.444 0.372 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.100 0.709 -1.667 1.00 0.00 H new ATOM 680 N THR A 40 5.677 1.977 3.326 1.00 0.00 N ATOM 681 CA THR A 40 6.031 1.977 4.740 1.00 0.00 C ATOM 682 C THR A 40 5.336 0.840 5.481 1.00 0.00 C ATOM 683 O THR A 40 4.153 0.578 5.265 1.00 0.00 O ATOM 684 CB THR A 40 5.662 3.313 5.411 1.00 0.00 C ATOM 685 OG1 THR A 40 6.426 4.378 4.835 1.00 0.00 O ATOM 686 CG2 THR A 40 5.914 3.254 6.910 1.00 0.00 C ATOM 0 H THR A 40 4.859 2.541 3.096 1.00 0.00 H new ATOM 0 HA THR A 40 7.111 1.837 4.796 1.00 0.00 H new ATOM 0 HB THR A 40 4.601 3.497 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.184 5.224 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.646 4.209 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.308 2.462 7.350 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.969 3.049 7.094 1.00 0.00 H new ATOM 694 N ILE A 41 6.079 0.169 6.355 1.00 0.00 N ATOM 695 CA ILE A 41 5.533 -0.938 7.129 1.00 0.00 C ATOM 696 C ILE A 41 5.930 -0.831 8.597 1.00 0.00 C ATOM 697 O ILE A 41 7.043 -0.420 8.921 1.00 0.00 O ATOM 698 CB ILE A 41 6.006 -2.297 6.579 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.485 -2.504 5.155 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.544 -3.426 7.488 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.118 -3.681 4.446 1.00 0.00 C ATOM 0 H ILE A 41 7.060 0.373 6.544 1.00 0.00 H new ATOM 0 HA ILE A 41 4.448 -0.878 7.043 1.00 0.00 H new ATOM 0 HB ILE A 41 7.096 -2.302 6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.405 -2.648 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.667 -1.599 4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.886 -4.380 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.959 -3.283 8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.455 -3.425 7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.702 -3.768 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.195 -3.530 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.914 -4.595 5.004 1.00 0.00 H new ATOM 713 N MET A 42 5.011 -1.206 9.482 1.00 0.00 N ATOM 714 CA MET A 42 5.267 -1.155 10.917 1.00 0.00 C ATOM 715 C MET A 42 6.091 -2.358 11.365 1.00 0.00 C ATOM 716 O MET A 42 6.203 -3.350 10.645 1.00 0.00 O ATOM 717 CB MET A 42 3.948 -1.109 11.690 1.00 0.00 C ATOM 718 CG MET A 42 3.301 0.267 11.707 1.00 0.00 C ATOM 719 SD MET A 42 3.980 1.338 12.988 1.00 0.00 S ATOM 720 CE MET A 42 3.920 2.928 12.167 1.00 0.00 C ATOM 0 H MET A 42 4.084 -1.548 9.231 1.00 0.00 H new ATOM 0 HA MET A 42 5.835 -0.249 11.128 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.253 -1.823 11.249 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.126 -1.430 12.716 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.436 0.740 10.734 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.228 0.158 11.862 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.717 3.566 12.550 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.051 2.789 11.094 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.956 3.399 12.357 1.00 0.00 H new ATOM 730 N LYS A 43 6.667 -2.263 12.559 1.00 0.00 N ATOM 731 CA LYS A 43 7.480 -3.343 13.105 1.00 0.00 C ATOM 732 C LYS A 43 7.487 -3.301 14.630 1.00 0.00 C ATOM 733 O LYS A 43 7.929 -2.323 15.231 1.00 0.00 O ATOM 734 CB LYS A 43 8.912 -3.248 12.575 1.00 0.00 C ATOM 735 CG LYS A 43 9.122 -3.972 11.256 1.00 0.00 C ATOM 736 CD LYS A 43 8.941 -3.036 10.072 1.00 0.00 C ATOM 737 CE LYS A 43 10.230 -2.302 9.740 1.00 0.00 C ATOM 738 NZ LYS A 43 10.433 -1.113 10.613 1.00 0.00 N ATOM 0 H LYS A 43 6.585 -1.448 13.167 1.00 0.00 H new ATOM 0 HA LYS A 43 7.043 -4.290 12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.175 -2.198 12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.594 -3.660 13.319 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.123 -4.402 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.417 -4.800 11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.612 -3.606 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.156 -2.313 10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.074 -2.982 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.210 -1.987 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.997 -0.402 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.510 -0.707 10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.934 -1.399 11.478 1.00 0.00 H new ATOM 752 N ASP A 44 6.997 -4.370 15.248 1.00 0.00 N ATOM 753 CA ASP A 44 6.949 -4.456 16.703 1.00 0.00 C ATOM 754 C ASP A 44 8.353 -4.585 17.286 1.00 0.00 C ATOM 755 O ASP A 44 9.329 -4.749 16.553 1.00 0.00 O ATOM 756 CB ASP A 44 6.092 -5.646 17.137 1.00 0.00 C ATOM 757 CG ASP A 44 5.747 -5.604 18.613 1.00 0.00 C ATOM 758 OD1 ASP A 44 5.176 -4.587 19.059 1.00 0.00 O ATOM 759 OD2 ASP A 44 6.049 -6.587 19.322 1.00 0.00 O ATOM 0 H ASP A 44 6.628 -5.189 14.764 1.00 0.00 H new ATOM 0 HA ASP A 44 6.500 -3.538 17.082 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.172 -5.660 16.552 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.623 -6.572 16.917 1.00 0.00 H new ATOM 764 N LYS A 45 8.448 -4.509 18.609 1.00 0.00 N ATOM 765 CA LYS A 45 9.732 -4.617 19.292 1.00 0.00 C ATOM 766 C LYS A 45 9.886 -5.987 19.946 1.00 0.00 C ATOM 767 O LYS A 45 10.982 -6.546 19.985 1.00 0.00 O ATOM 768 CB LYS A 45 9.866 -3.518 20.348 1.00 0.00 C ATOM 769 CG LYS A 45 8.928 -3.692 21.530 1.00 0.00 C ATOM 770 CD LYS A 45 9.568 -4.517 22.633 1.00 0.00 C ATOM 771 CE LYS A 45 10.317 -3.638 23.623 1.00 0.00 C ATOM 772 NZ LYS A 45 11.636 -3.201 23.088 1.00 0.00 N ATOM 0 H LYS A 45 7.651 -4.373 19.230 1.00 0.00 H new ATOM 0 HA LYS A 45 10.521 -4.497 18.550 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.894 -3.498 20.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.673 -2.552 19.881 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.649 -2.714 21.921 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.009 -4.176 21.198 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.799 -5.084 23.158 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.255 -5.241 22.195 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.713 -2.762 23.861 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.466 -4.185 24.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.249 -2.906 23.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.082 -3.990 22.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.499 -2.401 22.437 1.00 0.00 H new ATOM 786 N ASP A 46 8.783 -6.521 20.458 1.00 0.00 N ATOM 787 CA ASP A 46 8.795 -7.826 21.108 1.00 0.00 C ATOM 788 C ASP A 46 8.802 -8.948 20.074 1.00 0.00 C ATOM 789 O ASP A 46 9.609 -9.875 20.152 1.00 0.00 O ATOM 790 CB ASP A 46 7.584 -7.972 22.030 1.00 0.00 C ATOM 791 CG ASP A 46 7.856 -7.457 23.429 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.981 -7.667 23.930 1.00 0.00 O ATOM 793 OD2 ASP A 46 6.945 -6.844 24.025 1.00 0.00 O ATOM 0 H ASP A 46 7.868 -6.070 20.435 1.00 0.00 H new ATOM 0 HA ASP A 46 9.705 -7.899 21.703 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.740 -7.430 21.604 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.295 -9.022 22.082 1.00 0.00 H new ATOM 798 N THR A 47 7.895 -8.859 19.106 1.00 0.00 N ATOM 799 CA THR A 47 7.794 -9.867 18.058 1.00 0.00 C ATOM 800 C THR A 47 8.664 -9.504 16.860 1.00 0.00 C ATOM 801 O THR A 47 9.262 -10.375 16.229 1.00 0.00 O ATOM 802 CB THR A 47 6.338 -10.043 17.587 1.00 0.00 C ATOM 803 OG1 THR A 47 5.850 -8.815 17.035 1.00 0.00 O ATOM 804 CG2 THR A 47 5.445 -10.478 18.739 1.00 0.00 C ATOM 0 H THR A 47 7.220 -8.099 19.026 1.00 0.00 H new ATOM 0 HA THR A 47 8.145 -10.805 18.487 1.00 0.00 H new ATOM 0 HB THR A 47 6.318 -10.818 16.821 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.924 -8.936 16.736 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.422 -10.596 18.382 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.802 -11.428 19.137 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.470 -9.723 19.524 1.00 0.00 H new ATOM 812 N ARG A 48 8.731 -8.213 16.553 1.00 0.00 N ATOM 813 CA ARG A 48 9.528 -7.735 15.430 1.00 0.00 C ATOM 814 C ARG A 48 8.895 -8.140 14.102 1.00 0.00 C ATOM 815 O ARG A 48 9.587 -8.553 13.172 1.00 0.00 O ATOM 816 CB ARG A 48 10.953 -8.286 15.517 1.00 0.00 C ATOM 817 CG ARG A 48 11.968 -7.476 14.728 1.00 0.00 C ATOM 818 CD ARG A 48 12.583 -6.375 15.578 1.00 0.00 C ATOM 819 NE ARG A 48 13.476 -6.908 16.603 1.00 0.00 N ATOM 820 CZ ARG A 48 14.071 -6.156 17.523 1.00 0.00 C ATOM 821 NH1 ARG A 48 13.870 -4.846 17.545 1.00 0.00 N ATOM 822 NH2 ARG A 48 14.870 -6.716 18.423 1.00 0.00 N ATOM 0 H ARG A 48 8.243 -7.479 17.066 1.00 0.00 H new ATOM 0 HA ARG A 48 9.563 -6.647 15.479 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.259 -8.316 16.563 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.959 -9.314 15.153 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.754 -8.135 14.360 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.485 -7.037 13.855 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.136 -5.689 14.937 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.790 -5.798 16.053 1.00 0.00 H new ATOM 0 HE ARG A 48 13.653 -7.913 16.613 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.257 -4.412 16.854 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.328 -4.272 18.252 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.027 -7.724 18.408 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.327 -6.139 19.129 1.00 0.00 H new ATOM 836 N LYS A 49 7.574 -8.019 14.022 1.00 0.00 N ATOM 837 CA LYS A 49 6.845 -8.372 12.809 1.00 0.00 C ATOM 838 C LYS A 49 5.998 -7.200 12.323 1.00 0.00 C ATOM 839 O LYS A 49 5.783 -6.233 13.054 1.00 0.00 O ATOM 840 CB LYS A 49 5.954 -9.589 13.061 1.00 0.00 C ATOM 841 CG LYS A 49 6.714 -10.809 13.552 1.00 0.00 C ATOM 842 CD LYS A 49 7.650 -11.350 12.484 1.00 0.00 C ATOM 843 CE LYS A 49 7.950 -12.825 12.702 1.00 0.00 C ATOM 844 NZ LYS A 49 9.008 -13.030 13.730 1.00 0.00 N ATOM 0 H LYS A 49 6.986 -7.679 14.783 1.00 0.00 H new ATOM 0 HA LYS A 49 7.573 -8.617 12.036 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.193 -9.326 13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.432 -9.844 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.288 -10.548 14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.007 -11.585 13.845 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.201 -11.210 11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.581 -10.783 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.040 -13.339 13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.266 -13.274 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.183 -14.048 13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.885 -12.561 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.696 -12.624 14.635 1.00 0.00 H new ATOM 858 N SER A 50 5.520 -7.294 11.087 1.00 0.00 N ATOM 859 CA SER A 50 4.698 -6.240 10.503 1.00 0.00 C ATOM 860 C SER A 50 3.308 -6.223 11.133 1.00 0.00 C ATOM 861 O SER A 50 2.704 -5.164 11.305 1.00 0.00 O ATOM 862 CB SER A 50 4.581 -6.434 8.990 1.00 0.00 C ATOM 863 OG SER A 50 3.507 -5.677 8.460 1.00 0.00 O ATOM 0 H SER A 50 5.687 -8.089 10.470 1.00 0.00 H new ATOM 0 HA SER A 50 5.181 -5.284 10.704 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.512 -6.136 8.509 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.431 -7.490 8.766 1.00 0.00 H new ATOM 0 HG SER A 50 3.455 -5.817 7.491 1.00 0.00 H new ATOM 869 N LYS A 51 2.807 -7.404 11.477 1.00 0.00 N ATOM 870 CA LYS A 51 1.490 -7.528 12.090 1.00 0.00 C ATOM 871 C LYS A 51 0.407 -6.974 11.169 1.00 0.00 C ATOM 872 O LYS A 51 -0.659 -6.562 11.625 1.00 0.00 O ATOM 873 CB LYS A 51 1.458 -6.793 13.432 1.00 0.00 C ATOM 874 CG LYS A 51 2.564 -7.215 14.383 1.00 0.00 C ATOM 875 CD LYS A 51 2.565 -6.372 15.647 1.00 0.00 C ATOM 876 CE LYS A 51 3.089 -4.969 15.381 1.00 0.00 C ATOM 877 NZ LYS A 51 2.013 -4.056 14.904 1.00 0.00 N ATOM 0 H LYS A 51 3.294 -8.290 11.342 1.00 0.00 H new ATOM 0 HA LYS A 51 1.293 -8.587 12.258 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.535 -5.721 13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.494 -6.967 13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.438 -8.265 14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.529 -7.125 13.884 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.553 -6.314 16.047 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.181 -6.854 16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.529 -4.567 16.294 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.884 -5.013 14.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.142 -3.868 13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.086 -4.501 15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.059 -3.160 15.431 1.00 0.00 H new ATOM 891 N GLY A 52 0.688 -6.968 9.869 1.00 0.00 N ATOM 892 CA GLY A 52 -0.272 -6.463 8.905 1.00 0.00 C ATOM 893 C GLY A 52 -0.267 -4.950 8.819 1.00 0.00 C ATOM 894 O GLY A 52 -0.414 -4.382 7.736 1.00 0.00 O ATOM 0 H GLY A 52 1.563 -7.304 9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.050 -6.880 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.270 -6.805 9.178 1.00 0.00 H new ATOM 898 N VAL A 53 -0.098 -4.294 9.962 1.00 0.00 N ATOM 899 CA VAL A 53 -0.074 -2.837 10.012 1.00 0.00 C ATOM 900 C VAL A 53 1.014 -2.274 9.104 1.00 0.00 C ATOM 901 O VAL A 53 2.203 -2.390 9.397 1.00 0.00 O ATOM 902 CB VAL A 53 0.156 -2.328 11.447 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.305 -0.884 11.582 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.559 -3.220 12.450 1.00 0.00 C ATOM 0 H VAL A 53 0.024 -4.749 10.867 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.048 -2.492 9.664 1.00 0.00 H new ATOM 0 HB VAL A 53 1.224 -2.365 11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.135 -0.542 12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.257 -0.256 10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.368 -0.818 11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.385 -2.845 13.459 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.629 -3.218 12.241 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.176 -4.237 12.370 1.00 0.00 H new ATOM 914 N ALA A 54 0.597 -1.663 7.999 1.00 0.00 N ATOM 915 CA ALA A 54 1.536 -1.079 7.049 1.00 0.00 C ATOM 916 C ALA A 54 0.979 0.206 6.447 1.00 0.00 C ATOM 917 O ALA A 54 -0.210 0.297 6.143 1.00 0.00 O ATOM 918 CB ALA A 54 1.865 -2.079 5.950 1.00 0.00 C ATOM 0 H ALA A 54 -0.384 -1.560 7.740 1.00 0.00 H new ATOM 0 HA ALA A 54 2.452 -0.831 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.567 -1.630 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.313 -2.970 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.951 -2.355 5.423 1.00 0.00 H new ATOM 924 N PHE A 55 1.846 1.199 6.278 1.00 0.00 N ATOM 925 CA PHE A 55 1.441 2.481 5.714 1.00 0.00 C ATOM 926 C PHE A 55 1.901 2.607 4.265 1.00 0.00 C ATOM 927 O PHE A 55 3.091 2.499 3.969 1.00 0.00 O ATOM 928 CB PHE A 55 2.013 3.632 6.545 1.00 0.00 C ATOM 929 CG PHE A 55 1.553 3.625 7.975 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.826 2.546 8.799 1.00 0.00 C ATOM 931 CD2 PHE A 55 0.848 4.699 8.494 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.405 2.537 10.116 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.424 4.695 9.810 1.00 0.00 C ATOM 934 CZ PHE A 55 0.702 3.613 10.621 1.00 0.00 C ATOM 0 H PHE A 55 2.834 1.140 6.524 1.00 0.00 H new ATOM 0 HA PHE A 55 0.352 2.532 5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.102 3.581 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.729 4.578 6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.374 1.702 8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.627 5.548 7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.626 1.690 10.749 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.125 5.538 10.203 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.370 3.608 11.649 1.00 0.00 H new ATOM 944 N ILE A 56 0.949 2.836 3.366 1.00 0.00 N ATOM 945 CA ILE A 56 1.256 2.978 1.948 1.00 0.00 C ATOM 946 C ILE A 56 1.256 4.444 1.530 1.00 0.00 C ATOM 947 O ILE A 56 0.265 5.153 1.709 1.00 0.00 O ATOM 948 CB ILE A 56 0.249 2.207 1.075 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.183 0.741 1.507 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.630 2.316 -0.394 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.468 -0.020 1.260 1.00 0.00 C ATOM 0 H ILE A 56 -0.041 2.927 3.595 1.00 0.00 H new ATOM 0 HA ILE A 56 2.251 2.560 1.797 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.738 2.649 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.059 0.694 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.630 0.249 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.091 1.766 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.630 3.364 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.625 1.896 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.349 -1.052 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.701 -0.004 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.280 0.447 1.816 1.00 0.00 H new ATOM 963 N LEU A 57 2.374 4.894 0.970 1.00 0.00 N ATOM 964 CA LEU A 57 2.504 6.276 0.523 1.00 0.00 C ATOM 965 C LEU A 57 2.190 6.400 -0.964 1.00 0.00 C ATOM 966 O LEU A 57 2.843 5.775 -1.801 1.00 0.00 O ATOM 967 CB LEU A 57 3.917 6.792 0.803 1.00 0.00 C ATOM 968 CG LEU A 57 4.081 8.312 0.840 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.424 8.690 1.445 1.00 0.00 C ATOM 970 CD2 LEU A 57 3.940 8.898 -0.558 1.00 0.00 C ATOM 0 H LEU A 57 3.204 4.321 0.815 1.00 0.00 H new ATOM 0 HA LEU A 57 1.786 6.880 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.247 6.388 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.586 6.393 0.040 1.00 0.00 H new ATOM 0 HG LEU A 57 3.293 8.728 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.522 9.775 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.487 8.303 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.227 8.263 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.060 9.980 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.706 8.475 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.954 8.658 -0.955 1.00 0.00 H new ATOM 982 N PHE A 58 1.188 7.210 -1.287 1.00 0.00 N ATOM 983 CA PHE A 58 0.787 7.417 -2.674 1.00 0.00 C ATOM 984 C PHE A 58 1.342 8.734 -3.209 1.00 0.00 C ATOM 985 O PHE A 58 1.504 9.701 -2.464 1.00 0.00 O ATOM 986 CB PHE A 58 -0.738 7.406 -2.794 1.00 0.00 C ATOM 987 CG PHE A 58 -1.343 6.041 -2.628 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.547 5.508 -1.366 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.707 5.291 -3.735 1.00 0.00 C ATOM 990 CE1 PHE A 58 -2.102 4.252 -1.210 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.263 4.035 -3.586 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.462 3.515 -2.322 1.00 0.00 C ATOM 0 H PHE A 58 0.638 7.735 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 58 1.196 6.601 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.158 8.075 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.021 7.804 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.269 6.081 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.554 5.693 -4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.254 3.847 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.542 3.460 -4.457 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.898 2.534 -2.203 1.00 0.00 H new ATOM 1002 N LEU A 59 1.631 8.763 -4.505 1.00 0.00 N ATOM 1003 CA LEU A 59 2.167 9.961 -5.142 1.00 0.00 C ATOM 1004 C LEU A 59 1.330 11.186 -4.791 1.00 0.00 C ATOM 1005 O LEU A 59 1.855 12.197 -4.324 1.00 0.00 O ATOM 1006 CB LEU A 59 2.213 9.778 -6.660 1.00 0.00 C ATOM 1007 CG LEU A 59 3.050 10.798 -7.434 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.523 10.654 -7.085 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.837 10.636 -8.932 1.00 0.00 C ATOM 0 H LEU A 59 1.503 7.971 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 59 3.180 10.118 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.601 8.782 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.192 9.811 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 59 2.726 11.798 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.103 11.388 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.662 10.821 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.862 9.650 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.440 11.370 -9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.134 9.632 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.784 10.790 -9.169 1.00 0.00 H new ATOM 1021 N ASP A 60 0.025 11.089 -5.018 1.00 0.00 N ATOM 1022 CA ASP A 60 -0.887 12.188 -4.722 1.00 0.00 C ATOM 1023 C ASP A 60 -1.878 11.794 -3.631 1.00 0.00 C ATOM 1024 O ASP A 60 -1.986 10.623 -3.269 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.640 12.608 -5.986 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.810 13.524 -5.685 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -2.598 14.555 -5.014 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.938 13.209 -6.119 1.00 0.00 O ATOM 0 H ASP A 60 -0.426 10.260 -5.406 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.297 13.031 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.952 13.113 -6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.002 11.719 -6.502 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.599 12.781 -3.110 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.582 12.539 -2.061 1.00 0.00 C ATOM 1035 C LYS A 61 -4.851 11.918 -2.636 1.00 0.00 C ATOM 1036 O LYS A 61 -5.353 10.918 -2.121 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.922 13.846 -1.341 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.869 13.666 -0.167 1.00 0.00 C ATOM 1039 CD LYS A 61 -6.322 13.764 -0.603 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.756 15.212 -0.771 1.00 0.00 C ATOM 1041 NZ LYS A 61 -6.559 15.692 -2.167 1.00 0.00 N ATOM 0 H LYS A 61 -2.521 13.757 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.148 11.839 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.000 14.306 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.369 14.538 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.692 12.696 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.663 14.425 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.458 13.231 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.958 13.275 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.807 15.310 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.189 15.843 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.331 16.340 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.650 16.192 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.558 14.880 -2.817 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.364 12.515 -3.706 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.573 12.018 -4.353 1.00 0.00 C ATOM 1057 C ASP A 62 -6.536 10.498 -4.480 1.00 0.00 C ATOM 1058 O ASP A 62 -7.432 9.804 -4.000 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.736 12.654 -5.734 1.00 0.00 C ATOM 1060 CG ASP A 62 -8.122 12.441 -6.310 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -9.100 12.908 -5.689 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.229 11.809 -7.381 1.00 0.00 O ATOM 0 H ASP A 62 -4.962 13.344 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.426 12.292 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.535 13.723 -5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.995 12.234 -6.414 1.00 0.00 H new ATOM 1067 N SER A 63 -5.495 9.989 -5.129 1.00 0.00 N ATOM 1068 CA SER A 63 -5.344 8.552 -5.324 1.00 0.00 C ATOM 1069 C SER A 63 -5.592 7.798 -4.021 1.00 0.00 C ATOM 1070 O SER A 63 -6.331 6.814 -3.991 1.00 0.00 O ATOM 1071 CB SER A 63 -3.944 8.231 -5.852 1.00 0.00 C ATOM 1072 OG SER A 63 -2.946 8.848 -5.058 1.00 0.00 O ATOM 0 H SER A 63 -4.743 10.550 -5.529 1.00 0.00 H new ATOM 0 HA SER A 63 -6.084 8.231 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.793 7.152 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.854 8.571 -6.884 1.00 0.00 H new ATOM 0 HG SER A 63 -2.076 8.762 -5.501 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.970 8.268 -2.945 1.00 0.00 N ATOM 1079 CA ALA A 64 -5.124 7.641 -1.638 1.00 0.00 C ATOM 1080 C ALA A 64 -6.597 7.499 -1.268 1.00 0.00 C ATOM 1081 O ALA A 64 -7.133 6.391 -1.234 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.386 8.444 -0.577 1.00 0.00 C ATOM 0 H ALA A 64 -4.354 9.081 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.691 6.642 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.510 7.964 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.326 8.489 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.793 9.454 -0.537 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.244 8.626 -0.991 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.655 8.625 -0.622 1.00 0.00 C ATOM 1090 C GLN A 65 -9.411 7.527 -1.363 1.00 0.00 C ATOM 1091 O GLN A 65 -10.161 6.762 -0.760 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.283 9.987 -0.923 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.565 11.149 -0.257 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.416 12.402 -0.195 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.932 12.764 0.863 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -9.568 13.072 -1.331 1.00 0.00 N ATOM 0 H GLN A 65 -6.814 9.551 -1.015 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.725 8.429 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.289 10.145 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.323 9.978 -0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.275 10.861 0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.647 11.365 -0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.122 12.736 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.130 13.923 -1.350 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.207 7.458 -2.675 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.871 6.454 -3.499 1.00 0.00 C ATOM 1107 C ASN A 66 -9.660 5.055 -2.927 1.00 0.00 C ATOM 1108 O ASN A 66 -10.620 4.340 -2.638 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.346 6.515 -4.935 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.311 5.899 -5.929 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.329 5.321 -5.547 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.994 6.019 -7.213 1.00 0.00 N ATOM 0 H ASN A 66 -8.588 8.084 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.940 6.669 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.161 7.554 -5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.389 5.996 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.605 5.624 -7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.140 6.506 -7.484 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.398 4.672 -2.767 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.060 3.358 -2.230 1.00 0.00 C ATOM 1121 C CYS A 67 -8.566 3.209 -0.799 1.00 0.00 C ATOM 1122 O CYS A 67 -9.195 2.209 -0.452 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.547 3.139 -2.275 1.00 0.00 C ATOM 1124 SG CYS A 67 -6.000 1.603 -1.495 1.00 0.00 S ATOM 0 H CYS A 67 -7.592 5.252 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.547 2.604 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.221 3.142 -3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.054 3.979 -1.784 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.020 0.641 -2.369 1.00 0.00 H new ATOM 1130 N THR A 68 -8.285 4.210 0.029 1.00 0.00 N ATOM 1131 CA THR A 68 -8.708 4.190 1.424 1.00 0.00 C ATOM 1132 C THR A 68 -10.206 3.930 1.540 1.00 0.00 C ATOM 1133 O THR A 68 -10.705 3.590 2.613 1.00 0.00 O ATOM 1134 CB THR A 68 -8.373 5.516 2.132 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.066 5.959 1.749 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.436 5.353 3.643 1.00 0.00 C ATOM 0 H THR A 68 -7.766 5.045 -0.242 1.00 0.00 H new ATOM 0 HA THR A 68 -8.162 3.380 1.908 1.00 0.00 H new ATOM 0 HB THR A 68 -9.111 6.260 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.031 6.938 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.196 6.302 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.440 5.044 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.718 4.596 3.958 1.00 0.00 H new ATOM 1144 N ARG A 69 -10.918 4.090 0.429 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.359 3.872 0.407 1.00 0.00 C ATOM 1146 C ARG A 69 -12.708 2.621 -0.394 1.00 0.00 C ATOM 1147 O ARG A 69 -13.743 1.996 -0.167 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.071 5.088 -0.189 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.547 4.854 -0.465 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.115 5.917 -1.393 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.542 5.724 -1.637 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.325 6.646 -2.186 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.822 7.819 -2.546 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.614 6.396 -2.376 1.00 0.00 N ATOM 0 H ARG A 69 -10.520 4.370 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.695 3.730 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.967 5.931 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.576 5.369 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.683 3.869 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.099 4.857 0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.952 6.903 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.579 5.894 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.960 4.832 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.832 8.015 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.426 8.525 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.005 5.495 -2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.214 7.105 -2.798 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.837 2.263 -1.331 1.00 0.00 N ATOM 1169 CA ALA A 70 -12.052 1.086 -2.165 1.00 0.00 C ATOM 1170 C ALA A 70 -11.822 -0.197 -1.373 1.00 0.00 C ATOM 1171 O ALA A 70 -12.666 -1.093 -1.368 1.00 0.00 O ATOM 1172 CB ALA A 70 -11.140 1.128 -3.382 1.00 0.00 C ATOM 0 H ALA A 70 -10.976 2.771 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.089 1.094 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.311 0.243 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.355 2.022 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.100 1.148 -3.057 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.675 -0.278 -0.707 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.335 -1.451 0.088 1.00 0.00 C ATOM 1180 C ILE A 71 -11.021 -1.411 1.449 1.00 0.00 C ATOM 1181 O ILE A 71 -11.362 -2.448 2.015 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.814 -1.569 0.296 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.310 -0.436 1.192 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.094 -1.552 -1.044 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.883 -0.624 1.658 1.00 0.00 C ATOM 0 H ILE A 71 -9.966 0.455 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.686 -2.321 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.602 -2.518 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.385 0.506 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.961 -0.355 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.020 -1.636 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.436 -2.390 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.310 -0.617 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.592 0.216 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.805 -1.550 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.221 -0.674 0.793 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.222 -0.204 1.969 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.869 -0.027 3.264 1.00 0.00 C ATOM 1199 C ASN A 72 -13.149 -0.853 3.350 1.00 0.00 C ATOM 1200 O ASN A 72 -13.897 -0.959 2.379 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.185 1.451 3.502 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.352 1.647 4.451 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -13.179 1.664 5.670 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.549 1.795 3.894 1.00 0.00 N ATOM 0 H ASN A 72 -10.946 0.666 1.513 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.182 -0.373 4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.303 1.948 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.411 1.930 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.372 1.929 4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.645 1.774 2.879 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.393 -1.436 4.519 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.582 -2.253 4.733 1.00 0.00 C ATOM 1213 C ASN A 73 -14.593 -3.454 3.792 1.00 0.00 C ATOM 1214 O ASN A 73 -15.655 -3.946 3.408 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.846 -1.415 4.524 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.287 -0.708 5.790 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.897 -1.088 6.895 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -17.104 0.327 5.636 1.00 0.00 N ATOM 0 H ASN A 73 -12.783 -1.358 5.333 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.562 -2.619 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.664 -0.676 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.652 -2.059 4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.434 0.842 6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.402 0.607 4.701 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.405 -3.921 3.424 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.276 -5.065 2.530 1.00 0.00 C ATOM 1227 C LYS A 74 -12.248 -6.059 3.062 1.00 0.00 C ATOM 1228 O LYS A 74 -11.249 -5.668 3.665 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.874 -4.601 1.128 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.353 -5.523 0.021 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.775 -5.193 -0.402 1.00 0.00 C ATOM 1232 CE LYS A 74 -15.269 -6.143 -1.483 1.00 0.00 C ATOM 1233 NZ LYS A 74 -16.616 -5.756 -1.988 1.00 0.00 N ATOM 0 H LYS A 74 -12.517 -3.524 3.731 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.244 -5.563 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.275 -3.602 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.788 -4.521 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.688 -5.438 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.304 -6.557 0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.436 -5.249 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.818 -4.168 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.560 -6.152 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.308 -7.157 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.917 -6.427 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.299 -5.772 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.574 -4.798 -2.391 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.500 -7.344 2.834 1.00 0.00 N ATOM 1248 CA GLN A 75 -11.595 -8.392 3.290 1.00 0.00 C ATOM 1249 C GLN A 75 -10.718 -8.890 2.147 1.00 0.00 C ATOM 1250 O GLN A 75 -11.210 -9.195 1.060 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.389 -9.557 3.884 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.767 -9.732 3.266 1.00 0.00 C ATOM 1253 CD GLN A 75 -14.546 -10.873 3.891 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -14.507 -11.075 5.105 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.260 -11.626 3.062 1.00 0.00 N ATOM 0 H GLN A 75 -13.323 -7.684 2.336 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.950 -7.970 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.821 -10.478 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.498 -9.401 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.332 -8.807 3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.661 -9.912 2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.263 -11.422 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.805 -12.408 3.425 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.416 -8.969 2.398 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.468 -9.430 1.389 1.00 0.00 C ATOM 1266 C LEU A 76 -7.596 -10.555 1.935 1.00 0.00 C ATOM 1267 O LEU A 76 -7.031 -10.445 3.024 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.589 -8.270 0.920 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.296 -7.167 0.131 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.021 -6.218 1.073 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.301 -6.407 -0.734 1.00 0.00 C ATOM 0 H LEU A 76 -8.992 -8.720 3.292 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.035 -9.814 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.120 -7.819 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.788 -8.675 0.302 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.034 -7.631 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.518 -5.440 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.763 -6.772 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.302 -5.761 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.822 -5.626 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.539 -5.955 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.828 -7.095 -1.435 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.488 -11.637 1.171 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.684 -12.783 1.577 1.00 0.00 C ATOM 1285 C PHE A 77 -7.221 -13.395 2.868 1.00 0.00 C ATOM 1286 O PHE A 77 -6.463 -13.920 3.682 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.224 -12.367 1.767 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.486 -12.162 0.475 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.695 -11.022 -0.285 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.584 -13.110 0.019 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.018 -10.832 -1.474 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.903 -12.925 -1.170 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.120 -11.783 -1.917 1.00 0.00 C ATOM 0 H PHE A 77 -7.948 -11.744 0.267 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.742 -13.533 0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.190 -11.444 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.710 -13.130 2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.395 -10.274 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.411 -14.004 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.191 -9.940 -2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.203 -13.672 -1.514 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.588 -11.634 -2.845 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.537 -13.323 3.047 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.154 -13.873 4.240 1.00 0.00 C ATOM 1305 C GLY A 78 -8.821 -13.075 5.485 1.00 0.00 C ATOM 1306 O GLY A 78 -8.328 -13.625 6.470 1.00 0.00 O ATOM 0 H GLY A 78 -9.186 -12.894 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.236 -13.899 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.825 -14.903 4.374 1.00 0.00 H new ATOM 1310 N ARG A 79 -9.090 -11.774 5.442 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.813 -10.898 6.574 1.00 0.00 C ATOM 1312 C ARG A 79 -9.352 -9.494 6.320 1.00 0.00 C ATOM 1313 O ARG A 79 -8.868 -8.781 5.441 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.308 -10.838 6.843 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.461 -10.912 5.583 1.00 0.00 C ATOM 1316 CD ARG A 79 -5.039 -11.354 5.893 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.485 -10.647 7.044 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.477 -11.109 7.775 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.916 -12.273 7.476 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.027 -10.407 8.808 1.00 0.00 N ATOM 0 H ARG A 79 -9.500 -11.303 4.635 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.316 -11.308 7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.078 -9.913 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.033 -11.659 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.915 -11.609 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.442 -9.936 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.027 -12.427 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.407 -11.180 5.022 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.895 -9.749 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.259 -12.816 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.142 -12.626 8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.456 -9.511 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.253 -10.763 9.368 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.359 -9.103 7.095 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.964 -7.784 6.955 1.00 0.00 C ATOM 1336 C VAL A 80 -9.913 -6.684 7.055 1.00 0.00 C ATOM 1337 O VAL A 80 -9.545 -6.261 8.151 1.00 0.00 O ATOM 1338 CB VAL A 80 -12.044 -7.545 8.027 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.639 -6.153 7.885 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -13.128 -8.609 7.937 1.00 0.00 C ATOM 0 H VAL A 80 -10.773 -9.681 7.826 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.428 -7.752 5.969 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.578 -7.616 9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.400 -6.003 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.853 -5.407 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.091 -6.050 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.883 -8.425 8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.593 -8.572 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.686 -9.593 8.093 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.435 -6.224 5.903 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.428 -5.172 5.861 1.00 0.00 C ATOM 1352 C ILE A 81 -9.050 -3.804 6.124 1.00 0.00 C ATOM 1353 O ILE A 81 -10.042 -3.430 5.499 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.703 -5.140 4.502 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.980 -6.466 4.255 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.723 -3.978 4.451 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.880 -6.370 3.221 1.00 0.00 C ATOM 0 H ILE A 81 -9.729 -6.564 4.987 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.705 -5.397 6.645 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.443 -4.999 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.555 -6.819 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.706 -7.212 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.219 -3.969 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.263 -3.041 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.984 -4.090 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.411 -7.346 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.302 -6.047 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.133 -5.648 3.550 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.459 -3.061 7.054 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.951 -1.733 7.399 1.00 0.00 C ATOM 1371 C LYS A 82 -8.129 -0.650 6.707 1.00 0.00 C ATOM 1372 O LYS A 82 -6.908 -0.758 6.601 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.909 -1.529 8.915 1.00 0.00 C ATOM 1374 CG LYS A 82 -9.542 -2.665 9.700 1.00 0.00 C ATOM 1375 CD LYS A 82 -11.052 -2.686 9.532 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.702 -3.706 10.454 1.00 0.00 C ATOM 1377 NZ LYS A 82 -12.061 -3.112 11.772 1.00 0.00 N ATOM 0 H LYS A 82 -7.638 -3.357 7.582 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.983 -1.656 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.871 -1.416 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.420 -0.599 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.125 -3.615 9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.294 -2.561 10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.456 -1.696 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.301 -2.920 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.598 -4.106 9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.021 -4.544 10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.501 -3.839 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.202 -2.753 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.730 -2.329 11.629 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.807 0.393 6.239 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.138 1.496 5.561 1.00 0.00 C ATOM 1393 C ALA A 83 -8.578 2.840 6.133 1.00 0.00 C ATOM 1394 O ALA A 83 -9.772 3.117 6.244 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.414 1.441 4.066 1.00 0.00 C ATOM 0 H ALA A 83 -9.819 0.497 6.317 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.065 1.394 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.908 2.271 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.044 0.498 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.487 1.514 3.891 1.00 0.00 H new ATOM 1401 N SER A 84 -7.605 3.670 6.495 1.00 0.00 N ATOM 1402 CA SER A 84 -7.893 4.983 7.061 1.00 0.00 C ATOM 1403 C SER A 84 -6.746 5.953 6.791 1.00 0.00 C ATOM 1404 O SER A 84 -5.577 5.570 6.811 1.00 0.00 O ATOM 1405 CB SER A 84 -8.137 4.871 8.567 1.00 0.00 C ATOM 1406 OG SER A 84 -9.336 4.165 8.837 1.00 0.00 O ATOM 0 H SER A 84 -6.611 3.457 6.407 1.00 0.00 H new ATOM 0 HA SER A 84 -8.793 5.368 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.297 4.361 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.191 5.868 9.005 1.00 0.00 H new ATOM 0 HG SER A 84 -9.723 3.844 7.996 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.091 7.211 6.539 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.092 8.237 6.266 1.00 0.00 C ATOM 1414 C ILE A 85 -5.130 8.392 7.438 1.00 0.00 C ATOM 1415 O ILE A 85 -5.549 8.476 8.592 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.749 9.599 5.972 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.820 9.449 4.889 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.698 10.613 5.548 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -7.269 9.007 3.551 1.00 0.00 C ATOM 0 H ILE A 85 -8.055 7.544 6.518 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.539 7.912 5.385 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.227 9.960 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.564 8.726 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.335 10.402 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.178 11.570 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.968 10.736 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.194 10.260 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.084 8.922 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.546 9.741 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.779 8.039 3.661 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.837 8.432 7.134 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.814 8.582 8.162 1.00 0.00 C ATOM 1433 C ALA A 86 -2.126 9.938 8.058 1.00 0.00 C ATOM 1434 O ALA A 86 -1.124 10.084 7.358 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.792 7.459 8.057 1.00 0.00 C ATOM 0 H ALA A 86 -3.473 8.363 6.184 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.301 8.525 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.034 7.583 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.291 6.499 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.318 7.489 7.076 1.00 0.00 H new