USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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: B 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 51 HIS : no HD1:sc= 0.748 K(o=0.75,f=-5.8!) USER MOD Set 2.1: A 50 ASN : amide:sc= -3.34! C(o=-3.6!,f=-3!) USER MOD Set 2.2: B 50 ASN : amide:sc= -0.276 K(o=-3.6,f=-3) USER MOD Set 3.1: A 40 CYS SG : rot 180:sc= -13.2! USER MOD Set 3.2: B 40 CYS SG : rot -2:sc= -10.8! USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0.872 (180deg=0.767) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -14.9! C(o=-15!,f=-7.2!) USER MOD Single : A 22 HIS : no HD1:sc= -6.82! C(o=-6.8!,f=-5.5!) USER MOD Single : A 26 MET CE :methyl -164:sc= -0.0798 (180deg=-0.525) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 0.084 (180deg=-0.0769) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.14) USER MOD Single : A 33 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.4) USER MOD Single : A 35 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 37 SER OG : rot -100:sc= -1.03 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc=-0.00974 (180deg=-0.0956) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -98:sc= 0.058 (180deg=-0.277) USER MOD Single : B 16 TYR OH : rot 175:sc= -2.17! USER MOD Single : B 19 GLN : amide:sc= -0.899 K(o=-0.9,f=-0.043) USER MOD Single : B 22 HIS : no HE2:sc= -3.71 K(o=-3.7,f=-2) USER MOD Single : B 26 MET CE :methyl -155:sc= -0.223 (180deg=-1.06) USER MOD Single : B 30 LYS NZ :NH3+ 171:sc= -0.0206 (180deg=-0.232) USER MOD Single : B 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0841) USER MOD Single : B 33 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 35 THR OG1 : rot -83:sc= 1.34 USER MOD Single : B 37 SER OG : rot -126:sc= 0.792 USER MOD Single : B 45 LYS NZ :NH3+ 169:sc=-0.00462 (180deg=-0.119) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -8.194 8.033 -0.398 1.00 0.00 N ATOM 151 CA ILE A 11 -7.983 9.006 0.660 1.00 0.00 C ATOM 152 C ILE A 11 -6.487 9.203 0.852 1.00 0.00 C ATOM 153 O ILE A 11 -5.700 8.289 0.584 1.00 0.00 O ATOM 154 CB ILE A 11 -8.662 8.558 1.990 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.194 8.631 1.889 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.196 9.405 3.167 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.809 7.658 0.903 1.00 0.00 C ATOM 0 HA ILE A 11 -8.443 9.952 0.373 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.365 7.523 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.619 8.446 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.478 9.644 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.689 9.065 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.116 9.307 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.448 10.450 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.892 7.780 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.417 7.855 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.560 6.638 1.195 1.00 0.00 H new ATOM 169 N LYS A 12 -6.100 10.374 1.339 1.00 0.00 N ATOM 170 CA LYS A 12 -4.701 10.754 1.400 1.00 0.00 C ATOM 171 C LYS A 12 -4.140 10.516 2.792 1.00 0.00 C ATOM 172 O LYS A 12 -4.664 11.010 3.790 1.00 0.00 O ATOM 173 CB LYS A 12 -4.546 12.231 1.018 1.00 0.00 C ATOM 174 CG LYS A 12 -3.162 12.805 1.286 1.00 0.00 C ATOM 175 CD LYS A 12 -2.081 12.104 0.475 1.00 0.00 C ATOM 176 CE LYS A 12 -0.709 12.705 0.742 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.303 12.554 2.166 1.00 0.00 N ATOM 0 H LYS A 12 -6.743 11.080 1.699 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.143 10.139 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.776 12.346 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.282 12.816 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.160 13.869 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.933 12.715 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.069 11.043 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.313 12.181 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.029 12.223 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.718 13.762 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.682 12.868 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.924 13.133 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.383 11.556 2.446 1.00 0.00 H new ATOM 191 N LEU A 13 -3.082 9.729 2.835 1.00 0.00 N ATOM 192 CA LEU A 13 -2.394 9.424 4.071 1.00 0.00 C ATOM 193 C LEU A 13 -0.902 9.626 3.898 1.00 0.00 C ATOM 194 O LEU A 13 -0.405 9.753 2.775 1.00 0.00 O ATOM 195 CB LEU A 13 -2.684 7.986 4.531 1.00 0.00 C ATOM 196 CG LEU A 13 -2.433 6.882 3.494 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.204 5.546 4.184 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.607 6.774 2.528 1.00 0.00 C ATOM 0 H LEU A 13 -2.676 9.284 2.012 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.762 10.103 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.073 7.777 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.726 7.930 4.846 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.539 7.145 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.028 4.775 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.337 5.619 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.083 5.285 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.409 5.986 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.514 6.536 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.738 7.723 2.008 1.00 0.00 H new ATOM 210 N GLY A 14 -0.197 9.673 5.006 1.00 0.00 N ATOM 211 CA GLY A 14 1.231 9.814 4.962 1.00 0.00 C ATOM 212 C GLY A 14 1.900 8.878 5.934 1.00 0.00 C ATOM 213 O GLY A 14 1.677 8.963 7.137 1.00 0.00 O ATOM 0 H GLY A 14 -0.593 9.615 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.588 9.611 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.505 10.843 5.196 1.00 0.00 H new ATOM 217 N VAL A 15 2.726 7.997 5.410 1.00 0.00 N ATOM 218 CA VAL A 15 3.366 6.971 6.210 1.00 0.00 C ATOM 219 C VAL A 15 4.817 7.360 6.469 1.00 0.00 C ATOM 220 O VAL A 15 5.396 8.151 5.719 1.00 0.00 O ATOM 221 CB VAL A 15 3.297 5.596 5.494 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.888 4.491 6.353 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.861 5.262 5.111 1.00 0.00 C ATOM 0 H VAL A 15 2.973 7.971 4.421 1.00 0.00 H new ATOM 0 HA VAL A 15 2.840 6.884 7.161 1.00 0.00 H new ATOM 0 HB VAL A 15 3.894 5.667 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.823 3.542 5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.933 4.716 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.333 4.421 7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.834 4.294 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.245 5.223 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.476 6.029 4.439 1.00 0.00 H new ATOM 233 N TYR A 16 5.384 6.846 7.549 1.00 0.00 N ATOM 234 CA TYR A 16 6.762 7.135 7.898 1.00 0.00 C ATOM 235 C TYR A 16 7.506 5.837 8.154 1.00 0.00 C ATOM 236 O TYR A 16 7.131 5.061 9.036 1.00 0.00 O ATOM 237 CB TYR A 16 6.815 8.009 9.147 1.00 0.00 C ATOM 238 CG TYR A 16 8.110 8.763 9.301 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.653 9.441 8.225 1.00 0.00 C ATOM 240 CD2 TYR A 16 8.785 8.803 10.513 1.00 0.00 C ATOM 241 CE1 TYR A 16 9.832 10.140 8.342 1.00 0.00 C ATOM 242 CE2 TYR A 16 9.969 9.502 10.644 1.00 0.00 C ATOM 243 CZ TYR A 16 10.489 10.169 9.555 1.00 0.00 C ATOM 244 OH TYR A 16 11.668 10.868 9.679 1.00 0.00 O ATOM 0 H TYR A 16 4.906 6.224 8.201 1.00 0.00 H new ATOM 0 HA TYR A 16 7.232 7.668 7.072 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.991 8.722 9.117 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.662 7.382 10.026 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.141 9.421 7.274 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.379 8.280 11.366 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.241 10.663 7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.484 9.526 11.593 1.00 0.00 H new ATOM 0 HH TYR A 16 12.001 10.788 10.597 1.00 0.00 H new ATOM 254 N ILE A 17 8.552 5.593 7.382 1.00 0.00 N ATOM 255 CA ILE A 17 9.307 4.355 7.506 1.00 0.00 C ATOM 256 C ILE A 17 10.804 4.626 7.402 1.00 0.00 C ATOM 257 O ILE A 17 11.223 5.614 6.793 1.00 0.00 O ATOM 258 CB ILE A 17 8.885 3.285 6.461 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.271 3.685 5.037 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.389 3.022 6.533 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.888 2.634 4.014 1.00 0.00 C ATOM 0 H ILE A 17 8.897 6.232 6.666 1.00 0.00 H new ATOM 0 HA ILE A 17 9.079 3.949 8.492 1.00 0.00 H new ATOM 0 HB ILE A 17 9.425 2.372 6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.786 4.628 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.346 3.858 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.116 2.270 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.130 2.662 7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.847 3.945 6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.185 2.969 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.394 1.697 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.809 2.479 4.038 1.00 0.00 H new ATOM 273 N PRO A 18 11.621 3.754 8.017 1.00 0.00 N ATOM 274 CA PRO A 18 13.077 3.930 8.107 1.00 0.00 C ATOM 275 C PRO A 18 13.791 4.008 6.755 1.00 0.00 C ATOM 276 O PRO A 18 13.226 3.698 5.701 1.00 0.00 O ATOM 277 CB PRO A 18 13.546 2.687 8.869 1.00 0.00 C ATOM 278 CG PRO A 18 12.341 2.199 9.590 1.00 0.00 C ATOM 279 CD PRO A 18 11.182 2.522 8.700 1.00 0.00 C ATOM 0 HA PRO A 18 13.312 4.879 8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.932 1.929 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.350 2.930 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.404 1.127 9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.239 2.687 10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.980 1.718 7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.267 2.681 9.271 1.00 0.00 H new ATOM 287 N GLN A 19 15.054 4.413 6.810 1.00 0.00 N ATOM 288 CA GLN A 19 15.893 4.533 5.624 1.00 0.00 C ATOM 289 C GLN A 19 16.207 3.161 5.052 1.00 0.00 C ATOM 290 O GLN A 19 16.194 2.976 3.838 1.00 0.00 O ATOM 291 CB GLN A 19 17.189 5.280 5.966 1.00 0.00 C ATOM 292 CG GLN A 19 18.292 5.190 4.907 1.00 0.00 C ATOM 293 CD GLN A 19 17.999 5.940 3.612 1.00 0.00 C ATOM 294 OE1 GLN A 19 18.910 6.472 2.986 1.00 0.00 O ATOM 295 NE2 GLN A 19 16.750 5.958 3.176 1.00 0.00 N ATOM 0 H GLN A 19 15.525 4.667 7.678 1.00 0.00 H new ATOM 0 HA GLN A 19 15.350 5.103 4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.951 6.331 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.577 4.889 6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.218 5.577 5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.465 4.140 4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.014 5.507 3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.523 6.423 2.297 1.00 0.00 H new ATOM 304 N GLU A 20 16.478 2.211 5.935 1.00 0.00 N ATOM 305 CA GLU A 20 16.731 0.827 5.547 1.00 0.00 C ATOM 306 C GLU A 20 15.586 0.316 4.675 1.00 0.00 C ATOM 307 O GLU A 20 15.791 -0.384 3.669 1.00 0.00 O ATOM 308 CB GLU A 20 16.871 -0.059 6.793 1.00 0.00 C ATOM 309 CG GLU A 20 17.763 0.525 7.887 1.00 0.00 C ATOM 310 CD GLU A 20 17.047 1.533 8.776 1.00 0.00 C ATOM 311 OE1 GLU A 20 17.040 2.740 8.440 1.00 0.00 O ATOM 312 OE2 GLU A 20 16.483 1.121 9.808 1.00 0.00 O ATOM 0 H GLU A 20 16.529 2.375 6.940 1.00 0.00 H new ATOM 0 HA GLU A 20 17.661 0.786 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.880 -0.240 7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.272 -1.027 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.146 -0.287 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.625 1.007 7.425 1.00 0.00 H new ATOM 319 N TRP A 21 14.385 0.752 5.030 1.00 0.00 N ATOM 320 CA TRP A 21 13.189 0.380 4.304 1.00 0.00 C ATOM 321 C TRP A 21 13.161 1.113 2.986 1.00 0.00 C ATOM 322 O TRP A 21 13.143 0.499 1.935 1.00 0.00 O ATOM 323 CB TRP A 21 11.940 0.796 5.071 1.00 0.00 C ATOM 324 CG TRP A 21 11.543 -0.084 6.205 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.339 -0.664 7.147 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.206 -0.442 6.524 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.564 -1.372 8.037 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.247 -1.248 7.671 1.00 0.00 C ATOM 329 CE3 TRP A 21 8.973 -0.154 5.941 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.091 -1.768 8.248 1.00 0.00 C ATOM 331 CZ3 TRP A 21 7.835 -0.665 6.510 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.898 -1.461 7.650 1.00 0.00 C ATOM 0 H TRP A 21 14.218 1.369 5.825 1.00 0.00 H new ATOM 0 HA TRP A 21 13.202 -0.701 4.165 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.094 1.804 5.457 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.108 0.847 4.369 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.415 -0.581 7.189 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.911 -1.902 8.837 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.915 0.462 5.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.134 -2.388 9.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.875 -0.446 6.067 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.982 -1.846 8.074 1.00 0.00 H new ATOM 343 N HIS A 22 13.188 2.438 3.068 1.00 0.00 N ATOM 344 CA HIS A 22 13.072 3.293 1.892 1.00 0.00 C ATOM 345 C HIS A 22 14.076 2.888 0.819 1.00 0.00 C ATOM 346 O HIS A 22 13.732 2.813 -0.352 1.00 0.00 O ATOM 347 CB HIS A 22 13.286 4.756 2.278 1.00 0.00 C ATOM 348 CG HIS A 22 12.605 5.716 1.353 1.00 0.00 C ATOM 349 ND1 HIS A 22 13.233 6.332 0.293 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.334 6.173 1.348 1.00 0.00 C ATOM 351 CE1 HIS A 22 12.374 7.126 -0.321 1.00 0.00 C ATOM 352 NE2 HIS A 22 11.214 7.046 0.299 1.00 0.00 N ATOM 0 H HIS A 22 13.290 2.948 3.946 1.00 0.00 H new ATOM 0 HA HIS A 22 12.068 3.172 1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.918 4.915 3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.355 4.969 2.290 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.555 5.900 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.587 7.738 -1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.366 7.551 0.040 1.00 0.00 H new ATOM 361 N ASP A 23 15.303 2.609 1.236 1.00 0.00 N ATOM 362 CA ASP A 23 16.366 2.231 0.311 1.00 0.00 C ATOM 363 C ASP A 23 15.996 0.963 -0.461 1.00 0.00 C ATOM 364 O ASP A 23 15.951 0.967 -1.696 1.00 0.00 O ATOM 365 CB ASP A 23 17.678 2.020 1.069 1.00 0.00 C ATOM 366 CG ASP A 23 18.870 1.872 0.145 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.072 0.769 -0.407 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.620 2.861 -0.025 1.00 0.00 O ATOM 0 H ASP A 23 15.590 2.637 2.215 1.00 0.00 H new ATOM 0 HA ASP A 23 16.495 3.042 -0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.845 2.863 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.594 1.130 1.692 1.00 0.00 H new ATOM 373 N ARG A 24 15.677 -0.106 0.265 1.00 0.00 N ATOM 374 CA ARG A 24 15.392 -1.391 -0.376 1.00 0.00 C ATOM 375 C ARG A 24 14.040 -1.364 -1.082 1.00 0.00 C ATOM 376 O ARG A 24 13.852 -2.011 -2.113 1.00 0.00 O ATOM 377 CB ARG A 24 15.426 -2.524 0.656 1.00 0.00 C ATOM 378 CG ARG A 24 16.801 -3.152 0.867 1.00 0.00 C ATOM 379 CD ARG A 24 17.878 -2.117 1.166 1.00 0.00 C ATOM 380 NE ARG A 24 19.120 -2.743 1.634 1.00 0.00 N ATOM 381 CZ ARG A 24 20.340 -2.204 1.526 1.00 0.00 C ATOM 382 NH1 ARG A 24 20.524 -1.036 0.917 1.00 0.00 N ATOM 383 NH2 ARG A 24 21.386 -2.852 2.028 1.00 0.00 N ATOM 0 H ARG A 24 15.609 -0.111 1.283 1.00 0.00 H new ATOM 0 HA ARG A 24 16.164 -1.571 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.067 -2.139 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.730 -3.303 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.748 -3.864 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.080 -3.714 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.081 -1.534 0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.514 -1.422 1.922 1.00 0.00 H new ATOM 0 HE ARG A 24 19.048 -3.660 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.728 -0.535 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.462 -0.641 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.255 -3.752 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.320 -2.450 1.951 1.00 0.00 H new ATOM 397 N LEU A 25 13.109 -0.596 -0.537 1.00 0.00 N ATOM 398 CA LEU A 25 11.792 -0.436 -1.135 1.00 0.00 C ATOM 399 C LEU A 25 11.890 0.299 -2.465 1.00 0.00 C ATOM 400 O LEU A 25 11.226 -0.067 -3.426 1.00 0.00 O ATOM 401 CB LEU A 25 10.852 0.320 -0.186 1.00 0.00 C ATOM 402 CG LEU A 25 9.994 -0.556 0.745 1.00 0.00 C ATOM 403 CD1 LEU A 25 8.966 -1.328 -0.062 1.00 0.00 C ATOM 404 CD2 LEU A 25 10.853 -1.516 1.556 1.00 0.00 C ATOM 0 H LEU A 25 13.243 -0.069 0.326 1.00 0.00 H new ATOM 0 HA LEU A 25 11.382 -1.430 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.451 0.992 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.186 0.942 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 25 9.480 0.104 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.366 -1.944 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.318 -0.628 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.475 -1.967 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.214 -2.119 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.405 -2.169 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.555 -0.949 2.167 1.00 0.00 H new ATOM 416 N MET A 26 12.720 1.335 -2.516 1.00 0.00 N ATOM 417 CA MET A 26 12.899 2.106 -3.742 1.00 0.00 C ATOM 418 C MET A 26 13.519 1.263 -4.850 1.00 0.00 C ATOM 419 O MET A 26 13.271 1.506 -6.033 1.00 0.00 O ATOM 420 CB MET A 26 13.738 3.357 -3.497 1.00 0.00 C ATOM 421 CG MET A 26 13.019 4.420 -2.684 1.00 0.00 C ATOM 422 SD MET A 26 11.488 4.985 -3.452 1.00 0.00 S ATOM 423 CE MET A 26 12.106 5.644 -5.001 1.00 0.00 C ATOM 0 H MET A 26 13.278 1.660 -1.726 1.00 0.00 H new ATOM 0 HA MET A 26 11.907 2.417 -4.068 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.655 3.074 -2.980 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.031 3.782 -4.457 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.796 4.022 -1.694 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.684 5.272 -2.543 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.344 6.276 -5.457 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.003 6.234 -4.813 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.347 4.822 -5.676 1.00 0.00 H new ATOM 433 N GLU A 27 14.338 0.285 -4.481 1.00 0.00 N ATOM 434 CA GLU A 27 14.867 -0.646 -5.470 1.00 0.00 C ATOM 435 C GLU A 27 13.732 -1.471 -6.063 1.00 0.00 C ATOM 436 O GLU A 27 13.620 -1.621 -7.282 1.00 0.00 O ATOM 437 CB GLU A 27 15.924 -1.564 -4.853 1.00 0.00 C ATOM 438 CG GLU A 27 16.495 -2.574 -5.838 1.00 0.00 C ATOM 439 CD GLU A 27 17.649 -3.361 -5.266 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.793 -2.864 -5.324 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.422 -4.483 -4.770 1.00 0.00 O ATOM 0 H GLU A 27 14.646 0.117 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 27 15.345 -0.070 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.736 -0.955 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.484 -2.098 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.707 -3.263 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.827 -2.052 -6.735 1.00 0.00 H new ATOM 448 N ILE A 28 12.872 -1.973 -5.187 1.00 0.00 N ATOM 449 CA ILE A 28 11.701 -2.737 -5.603 1.00 0.00 C ATOM 450 C ILE A 28 10.771 -1.856 -6.437 1.00 0.00 C ATOM 451 O ILE A 28 10.159 -2.307 -7.409 1.00 0.00 O ATOM 452 CB ILE A 28 10.935 -3.287 -4.375 1.00 0.00 C ATOM 453 CG1 ILE A 28 11.850 -4.196 -3.545 1.00 0.00 C ATOM 454 CG2 ILE A 28 9.681 -4.038 -4.804 1.00 0.00 C ATOM 455 CD1 ILE A 28 11.211 -4.713 -2.271 1.00 0.00 C ATOM 0 H ILE A 28 12.964 -1.864 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 28 12.041 -3.579 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 28 10.625 -2.443 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.155 -5.045 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.756 -3.647 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.162 -4.414 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.023 -3.364 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.959 -4.875 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.920 -5.348 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.931 -3.872 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.321 -5.292 -2.519 1.00 0.00 H new ATOM 467 N ALA A 29 10.709 -0.586 -6.056 1.00 0.00 N ATOM 468 CA ALA A 29 9.849 0.390 -6.713 1.00 0.00 C ATOM 469 C ALA A 29 10.230 0.570 -8.177 1.00 0.00 C ATOM 470 O ALA A 29 9.365 0.741 -9.033 1.00 0.00 O ATOM 471 CB ALA A 29 9.908 1.724 -5.984 1.00 0.00 C ATOM 0 H ALA A 29 11.254 -0.204 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 29 8.827 0.012 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.260 2.442 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.573 1.592 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.933 2.095 -5.987 1.00 0.00 H new ATOM 477 N LYS A 30 11.519 0.500 -8.476 1.00 0.00 N ATOM 478 CA LYS A 30 11.968 0.681 -9.851 1.00 0.00 C ATOM 479 C LYS A 30 11.754 -0.597 -10.641 1.00 0.00 C ATOM 480 O LYS A 30 11.278 -0.568 -11.776 1.00 0.00 O ATOM 481 CB LYS A 30 13.447 1.055 -9.915 1.00 0.00 C ATOM 482 CG LYS A 30 13.830 2.253 -9.065 1.00 0.00 C ATOM 483 CD LYS A 30 15.262 2.673 -9.342 1.00 0.00 C ATOM 484 CE LYS A 30 15.799 3.589 -8.260 1.00 0.00 C ATOM 485 NZ LYS A 30 15.977 2.874 -6.969 1.00 0.00 N ATOM 0 H LYS A 30 12.262 0.323 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 30 11.382 1.494 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.040 0.197 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.712 1.261 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.156 3.083 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.716 2.007 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.893 1.787 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.312 3.180 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.754 4.007 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.115 4.426 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.529 3.467 -6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.046 2.675 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.481 1.979 -7.134 1.00 0.00 H new ATOM 499 N GLU A 31 12.093 -1.715 -10.017 1.00 0.00 N ATOM 500 CA GLU A 31 12.024 -3.019 -10.664 1.00 0.00 C ATOM 501 C GLU A 31 10.596 -3.354 -11.101 1.00 0.00 C ATOM 502 O GLU A 31 10.379 -3.859 -12.202 1.00 0.00 O ATOM 503 CB GLU A 31 12.550 -4.101 -9.721 1.00 0.00 C ATOM 504 CG GLU A 31 12.657 -5.468 -10.373 1.00 0.00 C ATOM 505 CD GLU A 31 13.115 -6.536 -9.410 1.00 0.00 C ATOM 506 OE1 GLU A 31 14.327 -6.622 -9.140 1.00 0.00 O ATOM 507 OE2 GLU A 31 12.263 -7.305 -8.923 1.00 0.00 O ATOM 0 H GLU A 31 12.422 -1.746 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 31 12.648 -2.982 -11.557 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.532 -3.805 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.891 -4.170 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.687 -5.747 -10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.355 -5.414 -11.209 1.00 0.00 H new ATOM 514 N LYS A 32 9.624 -3.067 -10.241 1.00 0.00 N ATOM 515 CA LYS A 32 8.231 -3.385 -10.545 1.00 0.00 C ATOM 516 C LYS A 32 7.503 -2.196 -11.167 1.00 0.00 C ATOM 517 O LYS A 32 6.338 -2.306 -11.550 1.00 0.00 O ATOM 518 CB LYS A 32 7.472 -3.858 -9.298 1.00 0.00 C ATOM 519 CG LYS A 32 7.821 -5.272 -8.842 1.00 0.00 C ATOM 520 CD LYS A 32 9.153 -5.333 -8.110 1.00 0.00 C ATOM 521 CE LYS A 32 9.392 -6.703 -7.492 1.00 0.00 C ATOM 522 NZ LYS A 32 9.712 -7.735 -8.511 1.00 0.00 N ATOM 0 H LYS A 32 9.771 -2.619 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 32 8.252 -4.199 -11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.675 -3.166 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.402 -3.809 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.033 -5.645 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.855 -5.932 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.961 -5.101 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.175 -4.573 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.211 -6.638 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.505 -7.008 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.749 -8.670 -8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.977 -7.736 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.634 -7.522 -8.943 1.00 0.00 H new ATOM 536 N ASN A 33 8.205 -1.065 -11.258 1.00 0.00 N ATOM 537 CA ASN A 33 7.663 0.169 -11.840 1.00 0.00 C ATOM 538 C ASN A 33 6.472 0.666 -11.021 1.00 0.00 C ATOM 539 O ASN A 33 5.394 0.942 -11.547 1.00 0.00 O ATOM 540 CB ASN A 33 7.259 -0.053 -13.304 1.00 0.00 C ATOM 541 CG ASN A 33 7.187 1.240 -14.100 1.00 0.00 C ATOM 542 OD1 ASN A 33 6.920 2.315 -13.560 1.00 0.00 O ATOM 543 ND2 ASN A 33 7.430 1.139 -15.396 1.00 0.00 N ATOM 0 H ASN A 33 9.167 -0.976 -10.930 1.00 0.00 H new ATOM 0 HA ASN A 33 8.441 0.932 -11.815 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.976 -0.725 -13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.289 -0.549 -13.337 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.400 1.970 -15.987 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.647 0.230 -15.805 1.00 0.00 H new ATOM 550 N LEU A 34 6.695 0.778 -9.725 1.00 0.00 N ATOM 551 CA LEU A 34 5.669 1.174 -8.772 1.00 0.00 C ATOM 552 C LEU A 34 6.238 2.203 -7.810 1.00 0.00 C ATOM 553 O LEU A 34 7.445 2.437 -7.787 1.00 0.00 O ATOM 554 CB LEU A 34 5.175 -0.042 -7.983 1.00 0.00 C ATOM 555 CG LEU A 34 4.431 -1.100 -8.799 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.128 -2.316 -7.938 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.146 -0.522 -9.375 1.00 0.00 C ATOM 0 H LEU A 34 7.603 0.595 -9.297 1.00 0.00 H new ATOM 0 HA LEU A 34 4.830 1.605 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.032 -0.515 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.517 0.306 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 34 5.069 -1.411 -9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.598 -3.060 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.061 -2.743 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.507 -2.018 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.629 -1.288 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.503 -0.185 -8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.385 0.321 -10.023 1.00 0.00 H new ATOM 569 N THR A 35 5.373 2.824 -7.032 1.00 0.00 N ATOM 570 CA THR A 35 5.816 3.738 -5.999 1.00 0.00 C ATOM 571 C THR A 35 5.724 3.027 -4.656 1.00 0.00 C ATOM 572 O THR A 35 4.907 2.123 -4.487 1.00 0.00 O ATOM 573 CB THR A 35 4.945 5.013 -5.960 1.00 0.00 C ATOM 574 OG1 THR A 35 4.351 5.239 -7.245 1.00 0.00 O ATOM 575 CG2 THR A 35 5.776 6.225 -5.560 1.00 0.00 C ATOM 0 H THR A 35 4.361 2.712 -7.096 1.00 0.00 H new ATOM 0 HA THR A 35 6.842 4.038 -6.213 1.00 0.00 H new ATOM 0 HB THR A 35 4.161 4.869 -5.217 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.612 4.609 -7.379 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.141 7.111 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.204 6.062 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.579 6.371 -6.283 1.00 0.00 H new ATOM 583 N LEU A 36 6.579 3.411 -3.717 1.00 0.00 N ATOM 584 CA LEU A 36 6.597 2.790 -2.395 1.00 0.00 C ATOM 585 C LEU A 36 5.235 2.921 -1.712 1.00 0.00 C ATOM 586 O LEU A 36 4.865 2.089 -0.887 1.00 0.00 O ATOM 587 CB LEU A 36 7.701 3.398 -1.517 1.00 0.00 C ATOM 588 CG LEU A 36 7.502 4.858 -1.097 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.365 5.169 0.112 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.837 5.815 -2.233 1.00 0.00 C ATOM 0 H LEU A 36 7.270 4.150 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 36 6.812 1.730 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.795 2.792 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.647 3.321 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 36 6.451 4.995 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.219 6.209 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.083 4.516 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.413 5.006 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.685 6.842 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.878 5.680 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.189 5.610 -3.085 1.00 0.00 H new ATOM 602 N SER A 37 4.502 3.971 -2.061 1.00 0.00 N ATOM 603 CA SER A 37 3.125 4.135 -1.618 1.00 0.00 C ATOM 604 C SER A 37 2.267 2.964 -2.085 1.00 0.00 C ATOM 605 O SER A 37 1.527 2.364 -1.301 1.00 0.00 O ATOM 606 CB SER A 37 2.573 5.451 -2.165 1.00 0.00 C ATOM 607 OG SER A 37 2.898 5.600 -3.539 1.00 0.00 O ATOM 0 H SER A 37 4.843 4.727 -2.655 1.00 0.00 H new ATOM 0 HA SER A 37 3.100 4.157 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.491 5.478 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.982 6.287 -1.597 1.00 0.00 H new ATOM 0 HG SER A 37 3.670 6.197 -3.630 1.00 0.00 H new ATOM 613 N ASP A 38 2.406 2.627 -3.365 1.00 0.00 N ATOM 614 CA ASP A 38 1.667 1.522 -3.958 1.00 0.00 C ATOM 615 C ASP A 38 2.077 0.221 -3.296 1.00 0.00 C ATOM 616 O ASP A 38 1.238 -0.614 -2.992 1.00 0.00 O ATOM 617 CB ASP A 38 1.931 1.417 -5.467 1.00 0.00 C ATOM 618 CG ASP A 38 1.615 2.689 -6.225 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.446 3.123 -6.217 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.537 3.252 -6.856 1.00 0.00 O ATOM 0 H ASP A 38 3.029 3.109 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 38 0.604 1.709 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.978 1.158 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.335 0.602 -5.876 1.00 0.00 H new ATOM 625 N VAL A 39 3.374 0.071 -3.058 1.00 0.00 N ATOM 626 CA VAL A 39 3.906 -1.139 -2.443 1.00 0.00 C ATOM 627 C VAL A 39 3.391 -1.297 -1.014 1.00 0.00 C ATOM 628 O VAL A 39 3.101 -2.404 -0.575 1.00 0.00 O ATOM 629 CB VAL A 39 5.452 -1.143 -2.439 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.990 -2.447 -1.871 1.00 0.00 C ATOM 631 CG2 VAL A 39 5.994 -0.914 -3.840 1.00 0.00 C ATOM 0 H VAL A 39 4.078 0.774 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 39 3.560 -1.980 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 39 5.788 -0.326 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.080 -2.425 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.637 -2.571 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.639 -3.281 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.084 -0.921 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.642 -1.706 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.646 0.050 -4.212 1.00 0.00 H new ATOM 641 N CYS A 40 3.268 -0.186 -0.301 1.00 0.00 N ATOM 642 CA CYS A 40 2.760 -0.201 1.068 1.00 0.00 C ATOM 643 C CYS A 40 1.273 -0.592 1.072 1.00 0.00 C ATOM 644 O CYS A 40 0.839 -1.441 1.852 1.00 0.00 O ATOM 645 CB CYS A 40 2.980 1.183 1.704 1.00 0.00 C ATOM 646 SG CYS A 40 3.114 1.188 3.496 1.00 0.00 S ATOM 0 H CYS A 40 3.513 0.741 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 40 3.299 -0.942 1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.888 1.617 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.154 1.833 1.415 1.00 0.00 H new ATOM 0 HG CYS A 40 3.298 2.405 3.914 1.00 0.00 H new ATOM 652 N ARG A 41 0.504 0.059 0.210 1.00 0.00 N ATOM 653 CA ARG A 41 -0.874 -0.324 -0.094 1.00 0.00 C ATOM 654 C ARG A 41 -0.974 -1.824 -0.417 1.00 0.00 C ATOM 655 O ARG A 41 -1.794 -2.546 0.160 1.00 0.00 O ATOM 656 CB ARG A 41 -1.350 0.529 -1.289 1.00 0.00 C ATOM 657 CG ARG A 41 -2.796 0.320 -1.719 1.00 0.00 C ATOM 658 CD ARG A 41 -2.964 -0.882 -2.639 1.00 0.00 C ATOM 659 NE ARG A 41 -4.346 -1.031 -3.100 1.00 0.00 N ATOM 660 CZ ARG A 41 -4.862 -2.170 -3.558 1.00 0.00 C ATOM 661 NH1 ARG A 41 -4.117 -3.267 -3.612 1.00 0.00 N ATOM 662 NH2 ARG A 41 -6.121 -2.208 -3.971 1.00 0.00 N ATOM 0 H ARG A 41 0.821 0.879 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.509 -0.144 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.214 1.581 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.704 0.319 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.419 0.186 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.153 1.215 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.304 -0.775 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.658 -1.786 -2.113 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.951 -0.211 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.146 -3.240 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.516 -4.138 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.694 -1.365 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.517 -3.080 -4.322 1.00 0.00 H new ATOM 676 N LEU A 42 -0.126 -2.291 -1.321 1.00 0.00 N ATOM 677 CA LEU A 42 -0.132 -3.693 -1.737 1.00 0.00 C ATOM 678 C LEU A 42 0.307 -4.595 -0.595 1.00 0.00 C ATOM 679 O LEU A 42 -0.056 -5.768 -0.540 1.00 0.00 O ATOM 680 CB LEU A 42 0.794 -3.902 -2.940 1.00 0.00 C ATOM 681 CG LEU A 42 0.403 -3.139 -4.206 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.451 -3.337 -5.290 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.964 -3.585 -4.703 1.00 0.00 C ATOM 0 H LEU A 42 0.580 -1.719 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.151 -3.953 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.804 -3.607 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.826 -4.966 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 42 0.350 -2.078 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.158 -2.787 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.414 -2.968 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.534 -4.398 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.222 -3.029 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.939 -4.651 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.711 -3.394 -3.933 1.00 0.00 H new ATOM 695 N ALA A 43 1.069 -4.029 0.328 1.00 0.00 N ATOM 696 CA ALA A 43 1.550 -4.770 1.476 1.00 0.00 C ATOM 697 C ALA A 43 0.400 -5.103 2.416 1.00 0.00 C ATOM 698 O ALA A 43 0.363 -6.181 3.000 1.00 0.00 O ATOM 699 CB ALA A 43 2.626 -3.986 2.206 1.00 0.00 C ATOM 0 H ALA A 43 1.367 -3.054 0.301 1.00 0.00 H new ATOM 0 HA ALA A 43 1.987 -5.704 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.974 -4.559 3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.461 -3.800 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.216 -3.035 2.547 1.00 0.00 H new ATOM 705 N ILE A 44 -0.553 -4.176 2.544 1.00 0.00 N ATOM 706 CA ILE A 44 -1.715 -4.408 3.394 1.00 0.00 C ATOM 707 C ILE A 44 -2.601 -5.464 2.762 1.00 0.00 C ATOM 708 O ILE A 44 -3.228 -6.261 3.455 1.00 0.00 O ATOM 709 CB ILE A 44 -2.568 -3.143 3.647 1.00 0.00 C ATOM 710 CG1 ILE A 44 -1.710 -1.966 4.096 1.00 0.00 C ATOM 711 CG2 ILE A 44 -3.626 -3.435 4.704 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.521 -0.731 4.447 1.00 0.00 C ATOM 0 H ILE A 44 -0.541 -3.270 2.075 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.324 -4.732 4.359 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.047 -2.872 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.122 -2.264 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.005 -1.716 3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.223 -2.540 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.273 -4.242 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.140 -3.733 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.849 0.069 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.089 -0.409 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.207 -0.966 5.261 1.00 0.00 H new ATOM 724 N LYS A 45 -2.658 -5.458 1.436 1.00 0.00 N ATOM 725 CA LYS A 45 -3.421 -6.459 0.716 1.00 0.00 C ATOM 726 C LYS A 45 -2.921 -7.859 1.064 1.00 0.00 C ATOM 727 O LYS A 45 -3.716 -8.750 1.361 1.00 0.00 O ATOM 728 CB LYS A 45 -3.354 -6.229 -0.798 1.00 0.00 C ATOM 729 CG LYS A 45 -4.113 -7.282 -1.596 1.00 0.00 C ATOM 730 CD LYS A 45 -5.582 -7.332 -1.202 1.00 0.00 C ATOM 731 CE LYS A 45 -6.480 -6.758 -2.285 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.511 -7.627 -3.490 1.00 0.00 N ATOM 0 H LYS A 45 -2.187 -4.774 0.844 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.463 -6.370 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.760 -5.244 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.311 -6.225 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.028 -7.064 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.659 -8.260 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.869 -8.364 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.729 -6.775 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.491 -6.640 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.127 -5.764 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.330 -7.374 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.636 -7.494 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.589 -8.622 -3.198 1.00 0.00 H new ATOM 746 N GLU A 46 -1.607 -8.043 1.047 1.00 0.00 N ATOM 747 CA GLU A 46 -1.028 -9.337 1.371 1.00 0.00 C ATOM 748 C GLU A 46 -1.104 -9.572 2.872 1.00 0.00 C ATOM 749 O GLU A 46 -1.144 -10.709 3.334 1.00 0.00 O ATOM 750 CB GLU A 46 0.417 -9.432 0.884 1.00 0.00 C ATOM 751 CG GLU A 46 0.991 -10.834 1.004 1.00 0.00 C ATOM 752 CD GLU A 46 2.389 -10.952 0.442 1.00 0.00 C ATOM 753 OE1 GLU A 46 2.564 -10.800 -0.788 1.00 0.00 O ATOM 754 OE2 GLU A 46 3.320 -11.218 1.226 1.00 0.00 O ATOM 0 H GLU A 46 -0.928 -7.318 0.814 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.600 -10.111 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.466 -9.113 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.035 -8.742 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.002 -11.127 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.337 -11.534 0.484 1.00 0.00 H new ATOM 761 N TYR A 47 -1.137 -8.483 3.623 1.00 0.00 N ATOM 762 CA TYR A 47 -1.306 -8.548 5.063 1.00 0.00 C ATOM 763 C TYR A 47 -2.667 -9.162 5.387 1.00 0.00 C ATOM 764 O TYR A 47 -2.795 -10.012 6.271 1.00 0.00 O ATOM 765 CB TYR A 47 -1.191 -7.138 5.660 1.00 0.00 C ATOM 766 CG TYR A 47 -1.297 -7.065 7.170 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.174 -7.230 7.970 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.513 -6.810 7.794 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.260 -7.149 9.346 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.605 -6.726 9.170 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.477 -6.896 9.941 1.00 0.00 C ATOM 772 OH TYR A 47 -1.566 -6.813 11.313 1.00 0.00 O ATOM 0 H TYR A 47 -1.048 -7.536 3.254 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.527 -9.173 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.235 -6.710 5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.971 -6.513 5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.783 -7.425 7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.400 -6.675 7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.623 -7.283 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.558 -6.528 9.639 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.494 -6.629 11.570 1.00 0.00 H new ATOM 782 N LEU A 48 -3.682 -8.724 4.651 1.00 0.00 N ATOM 783 CA LEU A 48 -5.020 -9.282 4.775 1.00 0.00 C ATOM 784 C LEU A 48 -5.045 -10.707 4.249 1.00 0.00 C ATOM 785 O LEU A 48 -5.572 -11.605 4.894 1.00 0.00 O ATOM 786 CB LEU A 48 -6.037 -8.434 4.003 1.00 0.00 C ATOM 787 CG LEU A 48 -6.125 -6.967 4.427 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.180 -6.240 3.609 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.431 -6.853 5.914 1.00 0.00 C ATOM 0 H LEU A 48 -3.601 -7.979 3.959 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.291 -9.281 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.787 -8.474 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.022 -8.887 4.116 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.159 -6.499 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.230 -5.198 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.918 -6.288 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.150 -6.712 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.489 -5.801 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.383 -7.339 6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.640 -7.338 6.486 1.00 0.00 H new ATOM 801 N ASP A 49 -4.452 -10.898 3.081 1.00 0.00 N ATOM 802 CA ASP A 49 -4.442 -12.195 2.408 1.00 0.00 C ATOM 803 C ASP A 49 -3.738 -13.267 3.239 1.00 0.00 C ATOM 804 O ASP A 49 -4.069 -14.448 3.152 1.00 0.00 O ATOM 805 CB ASP A 49 -3.771 -12.060 1.042 1.00 0.00 C ATOM 806 CG ASP A 49 -3.747 -13.363 0.269 1.00 0.00 C ATOM 807 OD1 ASP A 49 -4.833 -13.909 -0.020 1.00 0.00 O ATOM 808 OD2 ASP A 49 -2.640 -13.861 -0.035 1.00 0.00 O ATOM 0 H ASP A 49 -3.964 -10.162 2.571 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.477 -12.513 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.297 -11.305 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.750 -11.704 1.177 1.00 0.00 H new ATOM 813 N ASN A 50 -2.768 -12.849 4.042 1.00 0.00 N ATOM 814 CA ASN A 50 -2.011 -13.766 4.888 1.00 0.00 C ATOM 815 C ASN A 50 -2.816 -14.144 6.131 1.00 0.00 C ATOM 816 O ASN A 50 -2.682 -15.245 6.665 1.00 0.00 O ATOM 817 CB ASN A 50 -0.693 -13.106 5.301 1.00 0.00 C ATOM 818 CG ASN A 50 0.212 -14.012 6.115 1.00 0.00 C ATOM 819 OD1 ASN A 50 0.283 -15.221 5.887 1.00 0.00 O ATOM 820 ND2 ASN A 50 0.912 -13.426 7.071 1.00 0.00 N ATOM 0 H ASN A 50 -2.484 -11.873 4.126 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.804 -14.676 4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.161 -12.785 4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.912 -12.209 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.541 -13.978 7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.823 -12.422 7.226 1.00 0.00 H new ATOM 1084 N GLY B 10 14.997 7.043 8.411 1.00 0.00 N ATOM 1085 CA GLY B 10 13.593 7.035 8.083 1.00 0.00 C ATOM 1086 C GLY B 10 13.282 8.015 6.979 1.00 0.00 C ATOM 1087 O GLY B 10 13.878 9.089 6.916 1.00 0.00 O ATOM 0 HA2 GLY B 10 13.295 6.032 7.777 1.00 0.00 H new ATOM 0 HA3 GLY B 10 13.009 7.285 8.969 1.00 0.00 H new ATOM 1091 N ILE B 11 12.384 7.630 6.087 1.00 0.00 N ATOM 1092 CA ILE B 11 11.962 8.498 5.001 1.00 0.00 C ATOM 1093 C ILE B 11 10.438 8.555 4.979 1.00 0.00 C ATOM 1094 O ILE B 11 9.771 7.594 5.378 1.00 0.00 O ATOM 1095 CB ILE B 11 12.501 8.027 3.617 1.00 0.00 C ATOM 1096 CG1 ILE B 11 14.035 7.946 3.610 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.042 8.967 2.509 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.593 6.683 4.241 1.00 0.00 C ATOM 0 H ILE B 11 11.931 6.716 6.095 1.00 0.00 H new ATOM 0 HA ILE B 11 12.379 9.489 5.179 1.00 0.00 H new ATOM 0 HB ILE B 11 12.097 7.031 3.437 1.00 0.00 H new ATOM 0 HG12 ILE B 11 14.387 8.010 2.580 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.436 8.811 4.139 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.430 8.618 1.552 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.953 8.984 2.474 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.414 9.972 2.707 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.682 6.704 4.196 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.274 6.625 5.282 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.224 5.812 3.699 1.00 0.00 H new ATOM 1110 N LYS B 12 9.889 9.670 4.521 1.00 0.00 N ATOM 1111 CA LYS B 12 8.455 9.888 4.564 1.00 0.00 C ATOM 1112 C LYS B 12 7.855 9.623 3.191 1.00 0.00 C ATOM 1113 O LYS B 12 8.400 10.049 2.172 1.00 0.00 O ATOM 1114 CB LYS B 12 8.160 11.325 5.001 1.00 0.00 C ATOM 1115 CG LYS B 12 6.847 11.491 5.748 1.00 0.00 C ATOM 1116 CD LYS B 12 6.869 10.741 7.069 1.00 0.00 C ATOM 1117 CE LYS B 12 5.701 11.122 7.962 1.00 0.00 C ATOM 1118 NZ LYS B 12 4.388 10.756 7.370 1.00 0.00 N ATOM 0 H LYS B 12 10.420 10.440 4.114 1.00 0.00 H new ATOM 0 HA LYS B 12 8.008 9.203 5.285 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.974 11.674 5.637 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.147 11.966 4.119 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.660 12.549 5.931 1.00 0.00 H new ATOM 0 HG3 LYS B 12 6.026 11.124 5.132 1.00 0.00 H new ATOM 0 HD2 LYS B 12 6.843 9.668 6.877 1.00 0.00 H new ATOM 0 HD3 LYS B 12 7.805 10.949 7.588 1.00 0.00 H new ATOM 0 HE2 LYS B 12 5.810 10.629 8.928 1.00 0.00 H new ATOM 0 HE3 LYS B 12 5.725 12.196 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 3.971 11.590 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.523 10.002 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.751 10.420 8.120 1.00 0.00 H new ATOM 1132 N LEU B 13 6.752 8.898 3.174 1.00 0.00 N ATOM 1133 CA LEU B 13 6.113 8.501 1.930 1.00 0.00 C ATOM 1134 C LEU B 13 4.614 8.748 1.980 1.00 0.00 C ATOM 1135 O LEU B 13 3.966 8.515 2.999 1.00 0.00 O ATOM 1136 CB LEU B 13 6.398 7.023 1.627 1.00 0.00 C ATOM 1137 CG LEU B 13 6.262 6.057 2.814 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.905 4.663 2.321 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.560 6.006 3.615 1.00 0.00 C ATOM 0 H LEU B 13 6.276 8.569 4.014 1.00 0.00 H new ATOM 0 HA LEU B 13 6.531 9.111 1.129 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.720 6.697 0.838 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.410 6.942 1.231 1.00 0.00 H new ATOM 0 HG LEU B 13 5.464 6.421 3.462 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.812 3.989 3.172 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.959 4.699 1.781 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.688 4.301 1.655 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.444 5.317 4.452 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.371 5.664 2.972 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.793 7.001 3.994 1.00 0.00 H new ATOM 1151 N GLY B 14 4.068 9.220 0.873 1.00 0.00 N ATOM 1152 CA GLY B 14 2.651 9.490 0.797 1.00 0.00 C ATOM 1153 C GLY B 14 1.907 8.414 0.033 1.00 0.00 C ATOM 1154 O GLY B 14 2.144 8.217 -1.158 1.00 0.00 O ATOM 0 H GLY B 14 4.587 9.422 0.018 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.242 9.567 1.805 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.491 10.454 0.314 1.00 0.00 H new ATOM 1158 N VAL B 15 1.018 7.714 0.724 1.00 0.00 N ATOM 1159 CA VAL B 15 0.265 6.616 0.130 1.00 0.00 C ATOM 1160 C VAL B 15 -1.196 7.033 -0.077 1.00 0.00 C ATOM 1161 O VAL B 15 -1.647 8.025 0.506 1.00 0.00 O ATOM 1162 CB VAL B 15 0.338 5.353 1.037 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.287 4.138 0.365 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.780 5.060 1.429 1.00 0.00 C ATOM 0 H VAL B 15 0.799 7.889 1.705 1.00 0.00 H new ATOM 0 HA VAL B 15 0.705 6.374 -0.837 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.238 5.563 1.938 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.216 3.278 1.030 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.335 4.342 0.146 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.242 3.923 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.812 4.174 2.063 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.373 4.885 0.531 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.189 5.911 1.974 1.00 0.00 H new ATOM 1174 N TYR B 16 -1.917 6.305 -0.926 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.347 6.532 -1.119 1.00 0.00 C ATOM 1176 C TYR B 16 -4.114 5.222 -1.052 1.00 0.00 C ATOM 1177 O TYR B 16 -3.758 4.248 -1.718 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.619 7.220 -2.452 1.00 0.00 C ATOM 1179 CG TYR B 16 -3.815 8.705 -2.315 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -2.746 9.584 -2.372 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -5.082 9.223 -2.102 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -2.937 10.943 -2.225 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -5.285 10.576 -1.950 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.210 11.436 -2.013 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.404 12.791 -1.851 1.00 0.00 O ATOM 0 H TYR B 16 -1.532 5.550 -1.494 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.688 7.184 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.787 7.029 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.507 6.782 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -1.749 9.201 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.927 8.552 -2.054 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.095 11.618 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.280 10.961 -1.782 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.364 12.980 -1.798 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.170 5.204 -0.246 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.949 3.988 -0.040 1.00 0.00 C ATOM 1197 C ILE B 17 -7.452 4.295 0.010 1.00 0.00 C ATOM 1198 O ILE B 17 -7.870 5.320 0.562 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.515 3.244 1.251 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.768 4.089 2.499 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.043 2.855 1.179 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.438 3.363 3.789 1.00 0.00 C ATOM 0 H ILE B 17 -5.506 6.015 0.274 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.754 3.336 -0.891 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.120 2.340 1.324 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.173 5.000 2.440 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.815 4.393 2.518 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.759 2.335 2.094 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.881 2.199 0.323 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.434 3.753 1.068 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.640 4.018 4.637 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.052 2.466 3.869 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.385 3.083 3.790 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.271 3.416 -0.600 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.739 3.570 -0.670 1.00 0.00 C ATOM 1216 C PRO B 18 -10.410 3.629 0.703 1.00 0.00 C ATOM 1217 O PRO B 18 -9.852 3.189 1.710 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.196 2.314 -1.418 1.00 0.00 C ATOM 1219 CG PRO B 18 -8.999 1.864 -2.171 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.823 2.205 -1.305 1.00 0.00 C ATOM 0 HA PRO B 18 -10.011 4.508 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.540 1.545 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.026 2.534 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.041 0.793 -2.370 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.933 2.365 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.586 1.399 -0.611 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.927 2.391 -1.897 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.637 4.150 0.718 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.345 4.426 1.962 1.00 0.00 C ATOM 1230 C GLN B 19 -12.974 3.155 2.525 1.00 0.00 C ATOM 1231 O GLN B 19 -13.074 3.001 3.735 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.410 5.517 1.744 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.771 4.999 1.291 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.803 4.954 2.415 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.999 5.094 2.173 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -15.362 4.744 3.648 1.00 0.00 N ATOM 0 H GLN B 19 -12.161 4.389 -0.124 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.624 4.792 2.692 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.539 6.071 2.674 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.040 6.223 1.001 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.145 5.634 0.488 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.652 3.998 0.876 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -14.363 4.631 3.820 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.022 4.695 4.424 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.405 2.259 1.642 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.955 0.964 2.049 1.00 0.00 C ATOM 1247 C GLU B 20 -12.906 0.198 2.847 1.00 0.00 C ATOM 1248 O GLU B 20 -13.193 -0.495 3.843 1.00 0.00 O ATOM 1249 CB GLU B 20 -14.370 0.141 0.820 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.981 0.960 -0.310 1.00 0.00 C ATOM 1251 CD GLU B 20 -13.934 1.556 -1.239 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -13.444 2.669 -0.959 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -13.594 0.903 -2.252 1.00 0.00 O ATOM 0 H GLU B 20 -13.385 2.405 0.633 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.837 1.135 2.666 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -13.495 -0.386 0.439 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -15.088 -0.618 1.132 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -15.655 0.327 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -15.583 1.763 0.114 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.674 0.398 2.424 1.00 0.00 N ATOM 1261 CA TRP B 21 -10.531 -0.256 3.011 1.00 0.00 C ATOM 1262 C TRP B 21 -10.170 0.472 4.301 1.00 0.00 C ATOM 1263 O TRP B 21 -9.606 -0.108 5.228 1.00 0.00 O ATOM 1264 CB TRP B 21 -9.393 -0.200 1.988 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.190 -1.021 2.322 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -8.096 -2.031 3.229 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.902 -0.898 1.718 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -6.815 -2.532 3.241 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -6.065 -1.852 2.319 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -6.375 -0.068 0.732 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -4.728 -1.995 1.960 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -5.053 -0.211 0.378 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.237 -1.167 0.991 1.00 0.00 C ATOM 0 H TRP B 21 -11.440 1.026 1.655 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.733 -1.298 3.258 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -9.779 -0.527 1.023 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -9.082 0.838 1.872 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -8.907 -2.386 3.848 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -6.479 -3.287 3.839 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -6.994 0.676 0.253 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -4.100 -2.736 2.432 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -4.638 0.427 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.202 -1.252 0.694 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.539 1.747 4.357 1.00 0.00 N ATOM 1285 CA HIS B 22 -10.468 2.514 5.594 1.00 0.00 C ATOM 1286 C HIS B 22 -11.434 1.947 6.623 1.00 0.00 C ATOM 1287 O HIS B 22 -11.073 1.782 7.779 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.802 3.986 5.360 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.626 4.847 5.051 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -9.174 5.820 5.908 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.824 4.898 3.967 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -8.146 6.436 5.369 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.908 5.894 4.189 1.00 0.00 N ATOM 0 H HIS B 22 -10.891 2.272 3.557 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.445 2.441 5.963 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.514 4.057 4.538 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -11.299 4.378 6.247 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -9.574 6.032 6.822 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.891 4.272 3.089 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -7.590 7.247 5.815 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.659 1.637 6.192 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.680 1.115 7.101 1.00 0.00 C ATOM 1304 C ASP B 23 -13.128 -0.054 7.897 1.00 0.00 C ATOM 1305 O ASP B 23 -13.059 -0.010 9.132 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.922 0.626 6.342 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.722 1.728 5.677 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -16.528 2.388 6.363 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -15.586 1.906 4.453 1.00 0.00 O ATOM 0 H ASP B 23 -12.966 1.738 5.225 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.963 1.934 7.763 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.610 -0.090 5.581 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -15.570 0.091 7.036 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.674 -1.073 7.185 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.255 -2.309 7.836 1.00 0.00 C ATOM 1316 C ARG B 24 -10.917 -2.143 8.555 1.00 0.00 C ATOM 1317 O ARG B 24 -10.806 -2.437 9.746 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.173 -3.458 6.824 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.531 -4.016 6.413 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.348 -3.008 5.622 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.736 -3.427 5.455 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.630 -2.761 4.722 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.265 -1.679 4.041 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.885 -3.182 4.659 1.00 0.00 N ATOM 0 H ARG B 24 -12.586 -1.073 6.169 1.00 0.00 H new ATOM 0 HA ARG B 24 -13.010 -2.552 8.584 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.650 -3.109 5.934 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.574 -4.263 7.250 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.387 -4.915 5.814 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -14.085 -4.312 7.304 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.321 -2.044 6.129 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.894 -2.865 4.642 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.040 -4.279 5.926 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.298 -1.355 4.078 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.952 -1.173 3.482 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -18.169 -4.017 5.172 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.567 -2.671 4.098 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.912 -1.645 7.849 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.569 -1.548 8.412 1.00 0.00 C ATOM 1340 C LEU B 25 -8.482 -0.528 9.539 1.00 0.00 C ATOM 1341 O LEU B 25 -7.868 -0.796 10.567 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.546 -1.226 7.325 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.802 -2.446 6.772 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.928 -3.072 7.848 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -7.785 -3.478 6.240 1.00 0.00 C ATOM 0 H LEU B 25 -9.998 -1.303 6.892 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.338 -2.523 8.840 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -8.055 -0.723 6.503 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.817 -0.523 7.727 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.166 -2.111 5.952 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.408 -3.937 7.436 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.198 -2.341 8.195 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -6.551 -3.388 8.685 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -7.237 -4.336 5.852 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -8.444 -3.802 7.046 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -8.380 -3.036 5.441 1.00 0.00 H new ATOM 1357 N MET B 26 -9.080 0.638 9.356 1.00 0.00 N ATOM 1358 CA MET B 26 -9.019 1.673 10.381 1.00 0.00 C ATOM 1359 C MET B 26 -9.790 1.278 11.633 1.00 0.00 C ATOM 1360 O MET B 26 -9.488 1.763 12.722 1.00 0.00 O ATOM 1361 CB MET B 26 -9.503 3.017 9.847 1.00 0.00 C ATOM 1362 CG MET B 26 -8.550 3.636 8.842 1.00 0.00 C ATOM 1363 SD MET B 26 -7.054 4.279 9.618 1.00 0.00 S ATOM 1364 CE MET B 26 -7.739 5.543 10.688 1.00 0.00 C ATOM 0 H MET B 26 -9.607 0.892 8.520 1.00 0.00 H new ATOM 0 HA MET B 26 -7.971 1.780 10.661 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.479 2.885 9.380 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.639 3.705 10.681 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.277 2.889 8.097 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.058 4.443 8.314 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.982 6.302 10.886 1.00 0.00 H new ATOM 0 HE2 MET B 26 -8.598 6.006 10.201 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.055 5.092 11.629 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.785 0.409 11.491 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.443 -0.145 12.663 1.00 0.00 C ATOM 1376 C GLU B 27 -10.457 -1.011 13.441 1.00 0.00 C ATOM 1377 O GLU B 27 -10.405 -0.971 14.673 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.670 -0.957 12.264 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.361 -1.615 13.446 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.647 -2.306 13.060 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -14.767 -2.746 11.900 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.549 -2.408 13.917 1.00 0.00 O ATOM 0 H GLU B 27 -11.146 0.080 10.595 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.778 0.675 13.299 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.379 -0.305 11.753 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.373 -1.726 11.551 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -12.685 -2.341 13.898 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.572 -0.861 14.204 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.656 -1.771 12.705 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.602 -2.578 13.303 1.00 0.00 C ATOM 1391 C ILE B 28 -7.556 -1.666 13.940 1.00 0.00 C ATOM 1392 O ILE B 28 -7.024 -1.950 15.016 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.930 -3.486 12.247 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -8.958 -4.459 11.658 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.755 -4.247 12.850 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.413 -5.325 10.541 1.00 0.00 C ATOM 0 H ILE B 28 -9.717 -1.845 11.690 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.049 -3.215 14.067 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.544 -2.855 11.446 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.332 -5.103 12.454 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.808 -3.890 11.282 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.300 -4.878 12.087 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.016 -3.538 13.223 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.108 -4.869 13.672 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.199 -5.986 10.176 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.065 -4.691 9.726 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.582 -5.922 10.916 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.295 -0.552 13.265 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.346 0.447 13.737 1.00 0.00 C ATOM 1410 C ALA B 29 -6.781 1.045 15.071 1.00 0.00 C ATOM 1411 O ALA B 29 -5.953 1.455 15.875 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.172 1.539 12.690 1.00 0.00 C ATOM 0 H ALA B 29 -7.736 -0.317 12.376 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.387 -0.046 13.897 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.461 2.281 13.053 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.798 1.100 11.765 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.132 2.019 12.502 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.080 1.062 15.323 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.592 1.602 16.575 1.00 0.00 C ATOM 1420 C LYS B 30 -8.412 0.592 17.691 1.00 0.00 C ATOM 1421 O LYS B 30 -7.979 0.930 18.792 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.073 1.955 16.439 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.337 3.088 15.471 1.00 0.00 C ATOM 1424 CD LYS B 30 -11.820 3.370 15.322 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.058 4.603 14.467 1.00 0.00 C ATOM 1426 NZ LYS B 30 -11.432 4.479 13.125 1.00 0.00 N ATOM 0 H LYS B 30 -8.794 0.712 14.685 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.032 2.507 16.813 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.620 1.072 16.110 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.465 2.226 17.419 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.829 3.988 15.818 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.915 2.839 14.497 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.314 2.509 14.870 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.267 3.514 16.306 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -13.130 4.764 14.353 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.656 5.480 14.975 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.743 5.268 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.397 4.504 13.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.717 3.578 12.691 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.737 -0.648 17.383 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.648 -1.738 18.340 1.00 0.00 C ATOM 1442 C GLU B 31 -7.200 -1.970 18.784 1.00 0.00 C ATOM 1443 O GLU B 31 -6.934 -2.221 19.961 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.226 -3.006 17.711 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.350 -4.179 18.666 1.00 0.00 C ATOM 1446 CD GLU B 31 -9.927 -5.400 17.986 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -11.170 -5.501 17.889 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -9.143 -6.255 17.531 1.00 0.00 O ATOM 0 H GLU B 31 -9.071 -0.931 16.462 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.223 -1.475 19.228 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -10.211 -2.779 17.304 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.595 -3.301 16.872 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -8.369 -4.420 19.074 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -9.984 -3.898 19.507 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.271 -1.870 17.838 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.864 -2.171 18.100 1.00 0.00 C ATOM 1457 C LYS B 32 -4.038 -0.922 18.426 1.00 0.00 C ATOM 1458 O LYS B 32 -2.844 -1.023 18.713 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.257 -2.914 16.908 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.709 -4.361 16.810 1.00 0.00 C ATOM 1461 CD LYS B 32 -4.260 -5.009 15.511 1.00 0.00 C ATOM 1462 CE LYS B 32 -4.434 -6.521 15.545 1.00 0.00 C ATOM 1463 NZ LYS B 32 -5.804 -6.935 15.960 1.00 0.00 N ATOM 0 H LYS B 32 -6.466 -1.582 16.879 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.833 -2.806 18.985 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.526 -2.393 15.989 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.170 -2.884 16.985 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.309 -4.924 17.653 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -5.796 -4.407 16.882 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.833 -4.596 14.681 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.213 -4.767 15.327 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.220 -6.929 14.557 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -3.706 -6.951 16.233 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -5.926 -7.954 15.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.935 -6.736 16.972 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.509 -6.405 15.409 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.680 0.247 18.363 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.022 1.535 18.634 1.00 0.00 C ATOM 1479 C ASN B 33 -2.939 1.832 17.600 1.00 0.00 C ATOM 1480 O ASN B 33 -1.814 2.196 17.938 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.419 1.586 20.047 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.460 1.673 21.144 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.561 1.134 21.029 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.117 2.368 22.217 1.00 0.00 N ATOM 0 H ASN B 33 -5.668 0.331 18.124 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.795 2.300 18.566 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.809 0.697 20.206 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.754 2.446 20.119 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -4.776 2.473 22.989 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -3.194 2.799 22.272 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.299 1.689 16.338 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.394 1.939 15.229 1.00 0.00 C ATOM 1493 C LEU B 34 -3.021 2.962 14.291 1.00 0.00 C ATOM 1494 O LEU B 34 -4.205 3.272 14.415 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.123 0.637 14.468 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.517 -0.495 15.298 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.441 -1.777 14.480 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.137 -0.102 15.797 1.00 0.00 C ATOM 0 H LEU B 34 -4.232 1.395 16.051 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.450 2.324 15.614 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.061 0.286 14.037 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.452 0.855 13.637 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.161 -0.675 16.159 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.007 -2.571 15.088 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.443 -2.068 14.165 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.818 -1.611 13.601 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.283 -0.917 16.386 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.513 0.103 14.946 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.215 0.791 16.417 1.00 0.00 H new ATOM 1510 N THR B 35 -2.235 3.519 13.387 1.00 0.00 N ATOM 1511 CA THR B 35 -2.783 4.387 12.359 1.00 0.00 C ATOM 1512 C THR B 35 -2.685 3.699 11.009 1.00 0.00 C ATOM 1513 O THR B 35 -1.936 2.733 10.869 1.00 0.00 O ATOM 1514 CB THR B 35 -2.062 5.750 12.293 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.673 5.567 11.983 1.00 0.00 O ATOM 1516 CG2 THR B 35 -2.204 6.511 13.605 1.00 0.00 C ATOM 0 H THR B 35 -1.224 3.388 13.343 1.00 0.00 H new ATOM 0 HA THR B 35 -3.825 4.579 12.616 1.00 0.00 H new ATOM 0 HB THR B 35 -2.530 6.337 11.503 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.179 5.360 12.804 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.686 7.467 13.529 1.00 0.00 H new ATOM 0 HG22 THR B 35 -3.260 6.686 13.812 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.768 5.926 14.414 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.434 4.175 10.027 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.367 3.617 8.679 1.00 0.00 C ATOM 1526 C LEU B 36 -1.932 3.657 8.154 1.00 0.00 C ATOM 1527 O LEU B 36 -1.472 2.721 7.493 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.321 4.363 7.732 1.00 0.00 C ATOM 1529 CG LEU B 36 -3.990 5.832 7.422 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -4.853 6.322 6.275 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.199 6.729 8.637 1.00 0.00 C ATOM 0 H LEU B 36 -4.095 4.945 10.134 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.685 2.575 8.722 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.357 3.818 6.789 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.322 4.325 8.161 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.937 5.882 7.145 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.615 7.363 6.059 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.661 5.715 5.390 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.905 6.240 6.550 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.954 7.758 8.376 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.240 6.673 8.956 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.553 6.397 9.450 1.00 0.00 H new ATOM 1543 N SER B 37 -1.229 4.736 8.478 1.00 0.00 N ATOM 1544 CA SER B 37 0.181 4.877 8.147 1.00 0.00 C ATOM 1545 C SER B 37 0.986 3.718 8.733 1.00 0.00 C ATOM 1546 O SER B 37 1.783 3.086 8.038 1.00 0.00 O ATOM 1547 CB SER B 37 0.700 6.205 8.698 1.00 0.00 C ATOM 1548 OG SER B 37 -0.211 7.260 8.423 1.00 0.00 O ATOM 0 H SER B 37 -1.621 5.535 8.976 1.00 0.00 H new ATOM 0 HA SER B 37 0.295 4.862 7.063 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.852 6.122 9.774 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.670 6.432 8.256 1.00 0.00 H new ATOM 0 HG SER B 37 0.259 7.985 7.961 1.00 0.00 H new ATOM 1554 N ASP B 38 0.741 3.423 10.009 1.00 0.00 N ATOM 1555 CA ASP B 38 1.449 2.352 10.700 1.00 0.00 C ATOM 1556 C ASP B 38 1.119 1.008 10.081 1.00 0.00 C ATOM 1557 O ASP B 38 2.004 0.193 9.852 1.00 0.00 O ATOM 1558 CB ASP B 38 1.095 2.315 12.194 1.00 0.00 C ATOM 1559 CG ASP B 38 1.548 3.546 12.949 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.742 3.906 12.858 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.710 4.155 13.650 1.00 0.00 O ATOM 0 H ASP B 38 0.056 3.913 10.584 1.00 0.00 H new ATOM 0 HA ASP B 38 2.515 2.553 10.597 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.016 2.208 12.302 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.549 1.433 12.646 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.158 0.793 9.790 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.625 -0.490 9.269 1.00 0.00 C ATOM 1568 C VAL B 39 -0.012 -0.798 7.903 1.00 0.00 C ATOM 1569 O VAL B 39 0.350 -1.941 7.627 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.167 -0.532 9.166 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.639 -1.867 8.610 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.802 -0.275 10.525 1.00 0.00 C ATOM 0 H VAL B 39 -0.892 1.491 9.906 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.300 -1.252 9.978 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.479 0.255 8.480 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.727 -1.871 8.548 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.218 -2.016 7.616 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.310 -2.672 9.268 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.887 -0.309 10.432 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.475 -1.039 11.230 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.499 0.707 10.888 1.00 0.00 H new ATOM 1582 N CYS B 40 0.121 0.219 7.061 1.00 0.00 N ATOM 1583 CA CYS B 40 0.699 0.034 5.737 1.00 0.00 C ATOM 1584 C CYS B 40 2.164 -0.403 5.878 1.00 0.00 C ATOM 1585 O CYS B 40 2.589 -1.419 5.317 1.00 0.00 O ATOM 1586 CB CYS B 40 0.569 1.339 4.927 1.00 0.00 C ATOM 1587 SG CYS B 40 0.237 1.104 3.170 1.00 0.00 S ATOM 0 H CYS B 40 -0.162 1.176 7.270 1.00 0.00 H new ATOM 0 HA CYS B 40 0.163 -0.747 5.198 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.232 1.940 5.357 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.490 1.912 5.036 1.00 0.00 H new ATOM 0 HG CYS B 40 0.218 -0.167 2.898 1.00 0.00 H new ATOM 1593 N ARG B 41 2.920 0.384 6.629 1.00 0.00 N ATOM 1594 CA ARG B 41 4.286 0.046 7.040 1.00 0.00 C ATOM 1595 C ARG B 41 4.384 -1.370 7.627 1.00 0.00 C ATOM 1596 O ARG B 41 5.227 -2.161 7.206 1.00 0.00 O ATOM 1597 CB ARG B 41 4.747 1.093 8.070 1.00 0.00 C ATOM 1598 CG ARG B 41 6.097 0.829 8.727 1.00 0.00 C ATOM 1599 CD ARG B 41 5.960 0.028 10.011 1.00 0.00 C ATOM 1600 NE ARG B 41 7.181 0.071 10.818 1.00 0.00 N ATOM 1601 CZ ARG B 41 7.772 -1.003 11.340 1.00 0.00 C ATOM 1602 NH1 ARG B 41 7.277 -2.214 11.110 1.00 0.00 N ATOM 1603 NH2 ARG B 41 8.856 -0.864 12.093 1.00 0.00 N ATOM 0 H ARG B 41 2.603 1.289 6.978 1.00 0.00 H new ATOM 0 HA ARG B 41 4.933 0.059 6.163 1.00 0.00 H new ATOM 0 HB2 ARG B 41 4.787 2.065 7.578 1.00 0.00 H new ATOM 0 HB3 ARG B 41 3.991 1.163 8.852 1.00 0.00 H new ATOM 0 HG2 ARG B 41 6.740 0.290 8.031 1.00 0.00 H new ATOM 0 HG3 ARG B 41 6.587 1.779 8.943 1.00 0.00 H new ATOM 0 HD2 ARG B 41 5.126 0.418 10.594 1.00 0.00 H new ATOM 0 HD3 ARG B 41 5.722 -1.008 9.768 1.00 0.00 H new ATOM 0 HE ARG B 41 7.606 0.982 10.992 1.00 0.00 H new ATOM 0 HH11 ARG B 41 6.443 -2.323 10.533 1.00 0.00 H new ATOM 0 HH12 ARG B 41 7.731 -3.035 11.510 1.00 0.00 H new ATOM 0 HH21 ARG B 41 9.237 0.065 12.272 1.00 0.00 H new ATOM 0 HH22 ARG B 41 9.308 -1.686 12.493 1.00 0.00 H new ATOM 1617 N LEU B 42 3.516 -1.696 8.576 1.00 0.00 N ATOM 1618 CA LEU B 42 3.561 -2.999 9.246 1.00 0.00 C ATOM 1619 C LEU B 42 3.267 -4.118 8.259 1.00 0.00 C ATOM 1620 O LEU B 42 3.740 -5.246 8.410 1.00 0.00 O ATOM 1621 CB LEU B 42 2.552 -3.052 10.396 1.00 0.00 C ATOM 1622 CG LEU B 42 2.818 -2.075 11.543 1.00 0.00 C ATOM 1623 CD1 LEU B 42 1.686 -2.125 12.555 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.146 -2.383 12.216 1.00 0.00 C ATOM 0 H LEU B 42 2.771 -1.080 8.902 1.00 0.00 H new ATOM 0 HA LEU B 42 4.565 -3.134 9.649 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.558 -2.854 9.995 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.538 -4.065 10.799 1.00 0.00 H new ATOM 0 HG LEU B 42 2.870 -1.068 11.129 1.00 0.00 H new ATOM 0 HD11 LEU B 42 1.890 -1.424 13.365 1.00 0.00 H new ATOM 0 HD12 LEU B 42 0.750 -1.853 12.067 1.00 0.00 H new ATOM 0 HD13 LEU B 42 1.604 -3.134 12.960 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.315 -1.676 13.028 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.125 -3.397 12.616 1.00 0.00 H new ATOM 0 HD23 LEU B 42 4.952 -2.297 11.487 1.00 0.00 H new ATOM 1636 N ALA B 43 2.501 -3.785 7.235 1.00 0.00 N ATOM 1637 CA ALA B 43 2.149 -4.738 6.208 1.00 0.00 C ATOM 1638 C ALA B 43 3.349 -5.067 5.331 1.00 0.00 C ATOM 1639 O ALA B 43 3.481 -6.194 4.869 1.00 0.00 O ATOM 1640 CB ALA B 43 1.004 -4.205 5.374 1.00 0.00 C ATOM 0 H ALA B 43 2.110 -2.853 7.096 1.00 0.00 H new ATOM 0 HA ALA B 43 1.829 -5.661 6.691 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.747 -4.931 4.603 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.138 -4.032 6.013 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.301 -3.267 4.905 1.00 0.00 H new ATOM 1646 N ILE B 44 4.236 -4.093 5.120 1.00 0.00 N ATOM 1647 CA ILE B 44 5.452 -4.340 4.351 1.00 0.00 C ATOM 1648 C ILE B 44 6.342 -5.303 5.116 1.00 0.00 C ATOM 1649 O ILE B 44 6.969 -6.189 4.537 1.00 0.00 O ATOM 1650 CB ILE B 44 6.259 -3.051 4.052 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.437 -2.067 3.224 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.555 -3.391 3.328 1.00 0.00 C ATOM 1653 CD1 ILE B 44 6.231 -0.857 2.762 1.00 0.00 C ATOM 0 H ILE B 44 4.136 -3.139 5.466 1.00 0.00 H new ATOM 0 HA ILE B 44 5.139 -4.759 3.394 1.00 0.00 H new ATOM 0 HB ILE B 44 6.499 -2.578 5.004 1.00 0.00 H new ATOM 0 HG12 ILE B 44 5.036 -2.584 2.352 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.585 -1.730 3.814 1.00 0.00 H new ATOM 0 HG21 ILE B 44 8.110 -2.475 3.125 1.00 0.00 H new ATOM 0 HG22 ILE B 44 8.158 -4.050 3.952 1.00 0.00 H new ATOM 0 HG23 ILE B 44 7.326 -3.892 2.387 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.586 -0.199 2.179 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.610 -0.317 3.630 1.00 0.00 H new ATOM 0 HD13 ILE B 44 7.068 -1.185 2.145 1.00 0.00 H new ATOM 1665 N LYS B 45 6.371 -5.126 6.427 1.00 0.00 N ATOM 1666 CA LYS B 45 7.156 -5.977 7.299 1.00 0.00 C ATOM 1667 C LYS B 45 6.761 -7.442 7.116 1.00 0.00 C ATOM 1668 O LYS B 45 7.624 -8.307 6.938 1.00 0.00 O ATOM 1669 CB LYS B 45 6.977 -5.540 8.755 1.00 0.00 C ATOM 1670 CG LYS B 45 7.822 -6.322 9.746 1.00 0.00 C ATOM 1671 CD LYS B 45 9.307 -6.197 9.445 1.00 0.00 C ATOM 1672 CE LYS B 45 10.155 -6.733 10.588 1.00 0.00 C ATOM 1673 NZ LYS B 45 9.768 -8.116 10.977 1.00 0.00 N ATOM 0 H LYS B 45 5.854 -4.393 6.912 1.00 0.00 H new ATOM 0 HA LYS B 45 8.209 -5.878 7.035 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.225 -4.482 8.838 1.00 0.00 H new ATOM 0 HB3 LYS B 45 5.927 -5.644 9.028 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.624 -5.962 10.756 1.00 0.00 H new ATOM 0 HG3 LYS B 45 7.533 -7.373 9.720 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.541 -6.742 8.531 1.00 0.00 H new ATOM 0 HD3 LYS B 45 9.556 -5.151 9.265 1.00 0.00 H new ATOM 0 HE2 LYS B 45 11.205 -6.720 10.296 1.00 0.00 H new ATOM 0 HE3 LYS B 45 10.056 -6.074 11.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.483 -8.508 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.844 -8.097 11.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 9.707 -8.711 10.127 1.00 0.00 H new ATOM 1687 N GLU B 46 5.457 -7.711 7.132 1.00 0.00 N ATOM 1688 CA GLU B 46 4.965 -9.066 6.939 1.00 0.00 C ATOM 1689 C GLU B 46 5.124 -9.469 5.480 1.00 0.00 C ATOM 1690 O GLU B 46 5.409 -10.620 5.173 1.00 0.00 O ATOM 1691 CB GLU B 46 3.500 -9.187 7.364 1.00 0.00 C ATOM 1692 CG GLU B 46 3.017 -10.628 7.423 1.00 0.00 C ATOM 1693 CD GLU B 46 1.587 -10.760 7.900 1.00 0.00 C ATOM 1694 OE1 GLU B 46 1.325 -10.504 9.095 1.00 0.00 O ATOM 1695 OE2 GLU B 46 0.720 -11.135 7.091 1.00 0.00 O ATOM 0 H GLU B 46 4.729 -7.011 7.276 1.00 0.00 H new ATOM 0 HA GLU B 46 5.553 -9.737 7.565 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.372 -8.726 8.343 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.877 -8.629 6.665 1.00 0.00 H new ATOM 0 HG2 GLU B 46 3.105 -11.074 6.433 1.00 0.00 H new ATOM 0 HG3 GLU B 46 3.668 -11.196 8.088 1.00 0.00 H new ATOM 1702 N TYR B 47 4.974 -8.495 4.588 1.00 0.00 N ATOM 1703 CA TYR B 47 5.093 -8.732 3.156 1.00 0.00 C ATOM 1704 C TYR B 47 6.473 -9.292 2.832 1.00 0.00 C ATOM 1705 O TYR B 47 6.610 -10.241 2.059 1.00 0.00 O ATOM 1706 CB TYR B 47 4.856 -7.425 2.390 1.00 0.00 C ATOM 1707 CG TYR B 47 4.929 -7.550 0.884 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.798 -7.858 0.140 1.00 0.00 C ATOM 1709 CD2 TYR B 47 6.125 -7.344 0.204 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.857 -7.965 -1.236 1.00 0.00 C ATOM 1711 CE2 TYR B 47 6.190 -7.447 -1.170 1.00 0.00 C ATOM 1712 CZ TYR B 47 5.054 -7.757 -1.885 1.00 0.00 C ATOM 1713 OH TYR B 47 5.117 -7.861 -3.256 1.00 0.00 O ATOM 0 H TYR B 47 4.768 -7.527 4.836 1.00 0.00 H new ATOM 0 HA TYR B 47 4.341 -9.460 2.851 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.875 -7.034 2.661 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.593 -6.691 2.716 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.857 -8.017 0.645 1.00 0.00 H new ATOM 0 HD2 TYR B 47 7.017 -7.099 0.761 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.969 -8.210 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR B 47 7.127 -7.285 -1.683 1.00 0.00 H new ATOM 0 HH TYR B 47 6.033 -7.684 -3.556 1.00 0.00 H new ATOM 1723 N LEU B 48 7.493 -8.710 3.448 1.00 0.00 N ATOM 1724 CA LEU B 48 8.851 -9.200 3.292 1.00 0.00 C ATOM 1725 C LEU B 48 8.970 -10.598 3.880 1.00 0.00 C ATOM 1726 O LEU B 48 9.596 -11.478 3.297 1.00 0.00 O ATOM 1727 CB LEU B 48 9.846 -8.262 3.984 1.00 0.00 C ATOM 1728 CG LEU B 48 9.807 -6.801 3.526 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.837 -5.976 4.282 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.033 -6.698 2.025 1.00 0.00 C ATOM 0 H LEU B 48 7.403 -7.899 4.060 1.00 0.00 H new ATOM 0 HA LEU B 48 9.085 -9.234 2.228 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.660 -8.293 5.058 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.853 -8.647 3.824 1.00 0.00 H new ATOM 0 HG LEU B 48 8.817 -6.401 3.747 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.794 -4.941 3.943 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.623 -6.017 5.350 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.833 -6.378 4.096 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.001 -5.651 1.723 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.007 -7.118 1.774 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.253 -7.251 1.501 1.00 0.00 H new ATOM 1742 N ASP B 49 8.342 -10.788 5.028 1.00 0.00 N ATOM 1743 CA ASP B 49 8.364 -12.064 5.735 1.00 0.00 C ATOM 1744 C ASP B 49 7.729 -13.192 4.915 1.00 0.00 C ATOM 1745 O ASP B 49 8.202 -14.324 4.943 1.00 0.00 O ATOM 1746 CB ASP B 49 7.649 -11.912 7.075 1.00 0.00 C ATOM 1747 CG ASP B 49 7.394 -13.237 7.767 1.00 0.00 C ATOM 1748 OD1 ASP B 49 8.368 -13.938 8.115 1.00 0.00 O ATOM 1749 OD2 ASP B 49 6.213 -13.582 7.970 1.00 0.00 O ATOM 0 H ASP B 49 7.801 -10.063 5.499 1.00 0.00 H new ATOM 0 HA ASP B 49 9.406 -12.340 5.900 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.246 -11.277 7.729 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.698 -11.403 6.917 1.00 0.00 H new ATOM 1754 N ASN B 50 6.666 -12.888 4.177 1.00 0.00 N ATOM 1755 CA ASN B 50 5.986 -13.902 3.380 1.00 0.00 C ATOM 1756 C ASN B 50 6.806 -14.283 2.155 1.00 0.00 C ATOM 1757 O ASN B 50 6.764 -15.425 1.703 1.00 0.00 O ATOM 1758 CB ASN B 50 4.631 -13.376 2.930 1.00 0.00 C ATOM 1759 CG ASN B 50 3.750 -12.972 4.089 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.659 -13.670 5.100 1.00 0.00 O ATOM 1761 ND2 ASN B 50 3.140 -11.809 3.970 1.00 0.00 N ATOM 0 H ASN B 50 6.259 -11.955 4.114 1.00 0.00 H new ATOM 0 HA ASN B 50 5.858 -14.789 4.001 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.778 -12.518 2.274 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.124 -14.142 2.343 1.00 0.00 H new ATOM 0 HD21 ASN B 50 2.565 -11.454 4.734 1.00 0.00 H new ATOM 0 HD22 ASN B 50 3.244 -11.264 3.114 1.00 0.00 H new ATOM 1768 N HIS B 51 7.558 -13.330 1.626 1.00 0.00 N ATOM 1769 CA HIS B 51 8.323 -13.562 0.403 1.00 0.00 C ATOM 1770 C HIS B 51 9.719 -14.084 0.728 1.00 0.00 C ATOM 1771 O HIS B 51 10.278 -14.900 -0.007 1.00 0.00 O ATOM 1772 CB HIS B 51 8.411 -12.281 -0.437 1.00 0.00 C ATOM 1773 CG HIS B 51 7.103 -11.871 -1.044 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.934 -11.622 -2.389 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.893 -11.661 -0.476 1.00 0.00 C ATOM 1776 CE1 HIS B 51 5.680 -11.280 -2.620 1.00 0.00 C ATOM 1777 NE2 HIS B 51 5.029 -11.298 -1.475 1.00 0.00 N ATOM 0 H HIS B 51 7.657 -12.394 2.018 1.00 0.00 H new ATOM 0 HA HIS B 51 7.801 -14.320 -0.182 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.781 -11.470 0.190 1.00 0.00 H new ATOM 0 HB3 HIS B 51 9.141 -12.428 -1.233 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.653 -11.761 0.572 1.00 0.00 H new ATOM 0 HE1 HIS B 51 5.260 -11.029 -3.583 1.00 0.00 H new ATOM 0 HE2 HIS B 51 4.041 -11.077 -1.352 1.00 0.00 H new