USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=23 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: A 22 HIS : no HE2:sc= -4.57! C(o=-4.6!,f=-6!) USER MOD Set 1.2: A 26 MET CE :methyl -160:sc= 0 (180deg=-0.423) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.179 (180deg=-0.63) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.178 F(o=-2!,f=-0.18) USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= -0.555 (180deg=-2.12!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 THR OG1 : rot -73:sc= 1.2 USER MOD Single : A 37 SER OG : rot -110:sc= 1.14 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0701 USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -0.0333 (180deg=-0.232) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.15 K(o=1.2,f=-0.031) USER MOD Single : B 12 LYS NZ :NH3+ -165:sc= -0.026 (180deg=-0.286) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN :FLIP amide:sc= -0.0966 F(o=-2.1!,f=-0.097) USER MOD Single : B 22 HIS : no HE2:sc= -2.67 X(o=-2.7,f=-2.7!) USER MOD Single : B 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.1) USER MOD Single : B 32 LYS NZ :NH3+ 138:sc= -2.18! (180deg=-5.1!) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 THR OG1 : rot -72:sc= 1.38 USER MOD Single : B 37 SER OG : rot -142:sc= 0.835 USER MOD Single : B 40 CYS SG : rot 120:sc= -8.56! USER MOD Single : B 45 LYS NZ :NH3+ -159:sc= -0.0689 (180deg=-0.375) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN :FLIP amide:sc=-0.00985 F(o=-1.7!,f=-0.0099) USER MOD Single : B 51 HIS : no HD1:sc= 0.434 K(o=0.43,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -8.379 8.100 -0.211 1.00 0.00 N ATOM 151 CA ILE A 11 -7.987 9.091 0.781 1.00 0.00 C ATOM 152 C ILE A 11 -6.478 9.018 0.992 1.00 0.00 C ATOM 153 O ILE A 11 -5.863 7.979 0.734 1.00 0.00 O ATOM 154 CB ILE A 11 -8.714 8.855 2.128 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.200 8.561 1.909 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.555 10.053 3.054 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.965 9.718 1.304 1.00 0.00 C ATOM 0 HA ILE A 11 -8.268 10.078 0.415 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.253 7.987 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.298 7.692 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.654 8.296 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.075 9.859 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.497 10.220 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.979 10.938 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.010 9.437 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.899 10.583 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.537 9.969 0.333 1.00 0.00 H new ATOM 169 N LYS A 12 -5.895 10.098 1.497 1.00 0.00 N ATOM 170 CA LYS A 12 -4.450 10.223 1.592 1.00 0.00 C ATOM 171 C LYS A 12 -3.955 9.917 2.999 1.00 0.00 C ATOM 172 O LYS A 12 -4.484 10.424 3.989 1.00 0.00 O ATOM 173 CB LYS A 12 -4.039 11.644 1.201 1.00 0.00 C ATOM 174 CG LYS A 12 -2.564 11.946 1.396 1.00 0.00 C ATOM 175 CD LYS A 12 -1.703 11.229 0.375 1.00 0.00 C ATOM 176 CE LYS A 12 -0.236 11.568 0.557 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.004 13.034 0.626 1.00 0.00 N ATOM 0 H LYS A 12 -6.408 10.906 1.850 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.999 9.500 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.296 11.809 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.623 12.353 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.400 13.021 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.262 11.648 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.844 10.152 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.021 11.506 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.133 11.100 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.337 11.149 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.003 13.234 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.575 13.510 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.277 13.385 1.566 1.00 0.00 H new ATOM 191 N LEU A 13 -2.934 9.079 3.070 1.00 0.00 N ATOM 192 CA LEU A 13 -2.325 8.705 4.332 1.00 0.00 C ATOM 193 C LEU A 13 -0.820 8.935 4.287 1.00 0.00 C ATOM 194 O LEU A 13 -0.160 8.618 3.294 1.00 0.00 O ATOM 195 CB LEU A 13 -2.628 7.240 4.669 1.00 0.00 C ATOM 196 CG LEU A 13 -2.431 6.233 3.528 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.144 4.846 4.085 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.667 6.188 2.635 1.00 0.00 C ATOM 0 H LEU A 13 -2.506 8.640 2.255 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.751 9.333 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.994 6.941 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.660 7.173 5.012 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.578 6.557 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.007 4.145 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.238 4.877 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.981 4.522 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.509 5.469 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.532 5.888 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.844 7.175 2.209 1.00 0.00 H new ATOM 210 N GLY A 14 -0.288 9.497 5.361 1.00 0.00 N ATOM 211 CA GLY A 14 1.127 9.791 5.424 1.00 0.00 C ATOM 212 C GLY A 14 1.873 8.807 6.299 1.00 0.00 C ATOM 213 O GLY A 14 1.599 8.701 7.494 1.00 0.00 O ATOM 0 H GLY A 14 -0.815 9.756 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.546 9.772 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.271 10.800 5.810 1.00 0.00 H new ATOM 217 N VAL A 15 2.808 8.080 5.708 1.00 0.00 N ATOM 218 CA VAL A 15 3.569 7.077 6.439 1.00 0.00 C ATOM 219 C VAL A 15 5.009 7.550 6.653 1.00 0.00 C ATOM 220 O VAL A 15 5.570 8.248 5.805 1.00 0.00 O ATOM 221 CB VAL A 15 3.564 5.717 5.692 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.217 4.628 6.530 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.145 5.319 5.314 1.00 0.00 C ATOM 0 H VAL A 15 3.059 8.165 4.723 1.00 0.00 H new ATOM 0 HA VAL A 15 3.092 6.937 7.409 1.00 0.00 H new ATOM 0 HB VAL A 15 4.147 5.835 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.199 3.686 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.250 4.904 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.671 4.513 7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.162 4.363 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.540 5.228 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.715 6.080 4.664 1.00 0.00 H new ATOM 233 N TYR A 16 5.581 7.201 7.801 1.00 0.00 N ATOM 234 CA TYR A 16 6.984 7.488 8.085 1.00 0.00 C ATOM 235 C TYR A 16 7.757 6.200 8.304 1.00 0.00 C ATOM 236 O TYR A 16 7.424 5.417 9.194 1.00 0.00 O ATOM 237 CB TYR A 16 7.135 8.371 9.323 1.00 0.00 C ATOM 238 CG TYR A 16 7.162 9.846 9.019 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.058 10.343 8.095 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.310 10.737 9.656 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.116 11.685 7.805 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.361 12.090 9.373 1.00 0.00 C ATOM 243 CZ TYR A 16 7.269 12.558 8.446 1.00 0.00 C ATOM 244 OH TYR A 16 7.328 13.901 8.157 1.00 0.00 O ATOM 0 H TYR A 16 5.092 6.716 8.554 1.00 0.00 H new ATOM 0 HA TYR A 16 7.385 8.019 7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.311 8.166 10.007 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.055 8.100 9.841 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.728 9.663 7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.599 10.370 10.381 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.824 12.052 7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.694 12.776 9.875 1.00 0.00 H new ATOM 0 HH TYR A 16 6.663 14.381 8.694 1.00 0.00 H new ATOM 254 N ILE A 17 8.785 5.980 7.496 1.00 0.00 N ATOM 255 CA ILE A 17 9.614 4.789 7.634 1.00 0.00 C ATOM 256 C ILE A 17 11.091 5.129 7.429 1.00 0.00 C ATOM 257 O ILE A 17 11.421 6.086 6.722 1.00 0.00 O ATOM 258 CB ILE A 17 9.190 3.672 6.653 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.372 4.108 5.199 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.746 3.262 6.905 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.974 3.042 4.200 1.00 0.00 C ATOM 0 H ILE A 17 9.065 6.607 6.741 1.00 0.00 H new ATOM 0 HA ILE A 17 9.470 4.417 8.648 1.00 0.00 H new ATOM 0 HB ILE A 17 9.837 2.812 6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.779 5.005 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.415 4.378 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.464 2.475 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.645 2.894 7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.093 4.124 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.128 3.416 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.585 2.152 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.923 2.789 4.337 1.00 0.00 H new ATOM 273 N PRO A 18 11.994 4.346 8.047 1.00 0.00 N ATOM 274 CA PRO A 18 13.443 4.613 8.031 1.00 0.00 C ATOM 275 C PRO A 18 14.059 4.509 6.636 1.00 0.00 C ATOM 276 O PRO A 18 13.438 4.011 5.690 1.00 0.00 O ATOM 277 CB PRO A 18 14.015 3.526 8.946 1.00 0.00 C ATOM 278 CG PRO A 18 12.998 2.441 8.940 1.00 0.00 C ATOM 279 CD PRO A 18 11.671 3.131 8.818 1.00 0.00 C ATOM 0 HA PRO A 18 13.663 5.631 8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.977 3.167 8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.180 3.906 9.954 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.161 1.756 8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.050 1.850 9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.939 2.509 8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.251 3.373 9.794 1.00 0.00 H new ATOM 287 N GLN A 19 15.300 4.975 6.524 1.00 0.00 N ATOM 288 CA GLN A 19 15.998 5.015 5.246 1.00 0.00 C ATOM 289 C GLN A 19 16.419 3.616 4.797 1.00 0.00 C ATOM 290 O GLN A 19 16.560 3.369 3.601 1.00 0.00 O ATOM 291 CB GLN A 19 17.225 5.928 5.315 1.00 0.00 C ATOM 292 CG GLN A 19 18.374 5.360 6.130 1.00 0.00 C ATOM 293 CD GLN A 19 19.680 6.091 5.882 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.846 6.625 4.680 1.00 0.00 O flip ATOM 295 NE2 GLN A 19 20.539 6.166 6.757 1.00 0.00 N flip ATOM 0 H GLN A 19 15.844 5.332 7.309 1.00 0.00 H new ATOM 0 HA GLN A 19 15.300 5.419 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.575 6.126 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.929 6.886 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.126 5.416 7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.500 4.305 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 19 20.375 5.742 7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 19 21.416 6.652 6.570 1.00 0.00 H new ATOM 304 N GLU A 20 16.646 2.715 5.756 1.00 0.00 N ATOM 305 CA GLU A 20 16.948 1.315 5.444 1.00 0.00 C ATOM 306 C GLU A 20 15.820 0.737 4.605 1.00 0.00 C ATOM 307 O GLU A 20 16.036 0.023 3.619 1.00 0.00 O ATOM 308 CB GLU A 20 17.100 0.470 6.718 1.00 0.00 C ATOM 309 CG GLU A 20 17.993 1.080 7.784 1.00 0.00 C ATOM 310 CD GLU A 20 17.268 2.114 8.621 1.00 0.00 C ATOM 311 OE1 GLU A 20 16.637 1.737 9.628 1.00 0.00 O ATOM 312 OE2 GLU A 20 17.333 3.313 8.283 1.00 0.00 O ATOM 0 H GLU A 20 16.627 2.929 6.753 1.00 0.00 H new ATOM 0 HA GLU A 20 17.892 1.287 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.112 0.301 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.500 -0.506 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.371 0.290 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.858 1.543 7.309 1.00 0.00 H new ATOM 319 N TRP A 21 14.614 1.129 4.973 1.00 0.00 N ATOM 320 CA TRP A 21 13.421 0.673 4.300 1.00 0.00 C ATOM 321 C TRP A 21 13.312 1.360 2.959 1.00 0.00 C ATOM 322 O TRP A 21 13.021 0.729 1.958 1.00 0.00 O ATOM 323 CB TRP A 21 12.196 1.037 5.123 1.00 0.00 C ATOM 324 CG TRP A 21 11.764 0.023 6.134 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.533 -0.800 6.907 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.417 -0.233 6.493 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.721 -1.561 7.725 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.413 -1.224 7.485 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.213 0.291 6.057 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.225 -1.699 8.046 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.050 -0.171 6.607 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.054 -1.149 7.590 1.00 0.00 C ATOM 0 H TRP A 21 14.439 1.771 5.746 1.00 0.00 H new ATOM 0 HA TRP A 21 13.476 -0.408 4.172 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.395 1.975 5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.365 1.219 4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.612 -0.848 6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.041 -2.259 8.397 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.192 1.054 5.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.228 -2.466 8.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.108 0.234 6.269 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.115 -1.485 8.005 1.00 0.00 H new ATOM 343 N HIS A 22 13.570 2.662 2.954 1.00 0.00 N ATOM 344 CA HIS A 22 13.514 3.444 1.730 1.00 0.00 C ATOM 345 C HIS A 22 14.475 2.900 0.683 1.00 0.00 C ATOM 346 O HIS A 22 14.116 2.791 -0.479 1.00 0.00 O ATOM 347 CB HIS A 22 13.808 4.920 2.008 1.00 0.00 C ATOM 348 CG HIS A 22 12.572 5.757 2.142 1.00 0.00 C ATOM 349 ND1 HIS A 22 12.260 6.775 1.270 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.562 5.713 3.041 1.00 0.00 C ATOM 351 CE1 HIS A 22 11.115 7.323 1.623 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.668 6.697 2.697 1.00 0.00 N ATOM 0 H HIS A 22 13.820 3.197 3.786 1.00 0.00 H new ATOM 0 HA HIS A 22 12.501 3.363 1.336 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.393 5.000 2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.423 5.319 1.201 1.00 0.00 H new ATOM 0 HD1 HIS A 22 12.828 7.061 0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.475 5.031 3.874 1.00 0.00 H new ATOM 0 HE1 HIS A 22 10.625 8.144 1.120 1.00 0.00 H new ATOM 361 N ASP A 23 15.679 2.534 1.103 1.00 0.00 N ATOM 362 CA ASP A 23 16.683 2.004 0.179 1.00 0.00 C ATOM 363 C ASP A 23 16.178 0.738 -0.509 1.00 0.00 C ATOM 364 O ASP A 23 16.211 0.623 -1.741 1.00 0.00 O ATOM 365 CB ASP A 23 17.990 1.707 0.920 1.00 0.00 C ATOM 366 CG ASP A 23 19.090 1.223 -0.008 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.119 0.016 -0.330 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.942 2.046 -0.410 1.00 0.00 O ATOM 0 H ASP A 23 15.987 2.593 2.074 1.00 0.00 H new ATOM 0 HA ASP A 23 16.870 2.761 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.324 2.608 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.806 0.952 1.685 1.00 0.00 H new ATOM 373 N ARG A 24 15.668 -0.201 0.286 1.00 0.00 N ATOM 374 CA ARG A 24 15.203 -1.474 -0.258 1.00 0.00 C ATOM 375 C ARG A 24 13.911 -1.274 -1.039 1.00 0.00 C ATOM 376 O ARG A 24 13.719 -1.859 -2.101 1.00 0.00 O ATOM 377 CB ARG A 24 14.967 -2.494 0.860 1.00 0.00 C ATOM 378 CG ARG A 24 16.133 -2.660 1.822 1.00 0.00 C ATOM 379 CD ARG A 24 17.398 -3.132 1.121 1.00 0.00 C ATOM 380 NE ARG A 24 18.453 -3.452 2.088 1.00 0.00 N ATOM 381 CZ ARG A 24 19.592 -2.766 2.258 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.892 -1.713 1.506 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.442 -3.137 3.206 1.00 0.00 N ATOM 0 H ARG A 24 15.567 -0.106 1.297 1.00 0.00 H new ATOM 0 HA ARG A 24 15.977 -1.855 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.085 -2.195 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.744 -3.461 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.329 -1.710 2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.862 -3.376 2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.176 -4.012 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.749 -2.358 0.439 1.00 0.00 H new ATOM 0 HE ARG A 24 18.307 -4.268 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.248 -1.407 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.766 -1.210 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.227 -3.939 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.311 -2.621 3.342 1.00 0.00 H new ATOM 397 N LEU A 25 13.050 -0.416 -0.514 1.00 0.00 N ATOM 398 CA LEU A 25 11.767 -0.122 -1.133 1.00 0.00 C ATOM 399 C LEU A 25 11.951 0.519 -2.493 1.00 0.00 C ATOM 400 O LEU A 25 11.340 0.102 -3.464 1.00 0.00 O ATOM 401 CB LEU A 25 10.952 0.816 -0.238 1.00 0.00 C ATOM 402 CG LEU A 25 9.780 0.164 0.502 1.00 0.00 C ATOM 403 CD1 LEU A 25 8.745 -0.349 -0.486 1.00 0.00 C ATOM 404 CD2 LEU A 25 10.272 -0.968 1.396 1.00 0.00 C ATOM 0 H LEU A 25 13.221 0.095 0.352 1.00 0.00 H new ATOM 0 HA LEU A 25 11.234 -1.064 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.622 1.261 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.565 1.630 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 25 9.310 0.919 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.920 -0.809 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.368 0.482 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.204 -1.088 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.424 -1.418 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.768 -1.723 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.976 -0.573 2.129 1.00 0.00 H new ATOM 416 N MET A 26 12.799 1.531 -2.552 1.00 0.00 N ATOM 417 CA MET A 26 13.005 2.288 -3.774 1.00 0.00 C ATOM 418 C MET A 26 13.559 1.431 -4.900 1.00 0.00 C ATOM 419 O MET A 26 13.148 1.586 -6.049 1.00 0.00 O ATOM 420 CB MET A 26 13.916 3.476 -3.507 1.00 0.00 C ATOM 421 CG MET A 26 13.247 4.552 -2.675 1.00 0.00 C ATOM 422 SD MET A 26 11.997 5.462 -3.598 1.00 0.00 S ATOM 423 CE MET A 26 11.480 6.658 -2.369 1.00 0.00 C ATOM 0 H MET A 26 13.360 1.849 -1.762 1.00 0.00 H new ATOM 0 HA MET A 26 12.030 2.649 -4.102 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.814 3.132 -2.994 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.236 3.904 -4.457 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.786 4.095 -1.799 1.00 0.00 H new ATOM 0 HG3 MET A 26 14.003 5.248 -2.311 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.499 7.052 -2.635 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.425 6.176 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.201 7.475 -2.330 1.00 0.00 H new ATOM 433 N GLU A 27 14.485 0.532 -4.593 1.00 0.00 N ATOM 434 CA GLU A 27 15.026 -0.334 -5.632 1.00 0.00 C ATOM 435 C GLU A 27 13.959 -1.305 -6.130 1.00 0.00 C ATOM 436 O GLU A 27 13.781 -1.475 -7.338 1.00 0.00 O ATOM 437 CB GLU A 27 16.262 -1.094 -5.152 1.00 0.00 C ATOM 438 CG GLU A 27 16.910 -1.904 -6.261 1.00 0.00 C ATOM 439 CD GLU A 27 18.227 -2.524 -5.860 1.00 0.00 C ATOM 440 OE1 GLU A 27 19.266 -1.837 -5.967 1.00 0.00 O ATOM 441 OE2 GLU A 27 18.239 -3.705 -5.463 1.00 0.00 O ATOM 0 H GLU A 27 14.869 0.385 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 27 15.335 0.303 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.988 -0.386 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.982 -1.760 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.225 -2.693 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.069 -1.260 -7.126 1.00 0.00 H new ATOM 448 N ILE A 28 13.234 -1.919 -5.201 1.00 0.00 N ATOM 449 CA ILE A 28 12.168 -2.854 -5.558 1.00 0.00 C ATOM 450 C ILE A 28 11.057 -2.138 -6.326 1.00 0.00 C ATOM 451 O ILE A 28 10.495 -2.675 -7.286 1.00 0.00 O ATOM 452 CB ILE A 28 11.576 -3.546 -4.306 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.659 -4.363 -3.593 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.399 -4.439 -4.686 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.187 -5.013 -2.308 1.00 0.00 C ATOM 0 H ILE A 28 13.363 -1.788 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 28 12.609 -3.620 -6.196 1.00 0.00 H new ATOM 0 HB ILE A 28 11.212 -2.776 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.021 -5.137 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.505 -3.712 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.999 -4.915 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.621 -3.836 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.734 -5.205 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.008 -5.574 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.852 -4.243 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.361 -5.690 -2.525 1.00 0.00 H new ATOM 467 N ALA A 29 10.764 -0.917 -5.905 1.00 0.00 N ATOM 468 CA ALA A 29 9.723 -0.108 -6.520 1.00 0.00 C ATOM 469 C ALA A 29 10.041 0.179 -7.980 1.00 0.00 C ATOM 470 O ALA A 29 9.190 0.030 -8.849 1.00 0.00 O ATOM 471 CB ALA A 29 9.537 1.191 -5.751 1.00 0.00 C ATOM 0 H ALA A 29 11.241 -0.459 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 29 8.792 -0.673 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.755 1.785 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.252 0.968 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.471 1.753 -5.754 1.00 0.00 H new ATOM 477 N LYS A 30 11.284 0.541 -8.256 1.00 0.00 N ATOM 478 CA LYS A 30 11.679 0.907 -9.611 1.00 0.00 C ATOM 479 C LYS A 30 11.862 -0.344 -10.457 1.00 0.00 C ATOM 480 O LYS A 30 11.715 -0.317 -11.680 1.00 0.00 O ATOM 481 CB LYS A 30 12.972 1.722 -9.583 1.00 0.00 C ATOM 482 CG LYS A 30 12.847 3.034 -8.820 1.00 0.00 C ATOM 483 CD LYS A 30 14.186 3.735 -8.685 1.00 0.00 C ATOM 484 CE LYS A 30 14.050 5.081 -7.984 1.00 0.00 C ATOM 485 NZ LYS A 30 13.508 4.950 -6.604 1.00 0.00 N ATOM 0 H LYS A 30 12.034 0.590 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 30 10.893 1.518 -10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.761 1.121 -9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.281 1.934 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.144 3.689 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.436 2.841 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.874 3.101 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.621 3.882 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.025 5.567 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.396 5.728 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.563 5.382 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.441 3.943 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.141 5.433 -5.935 1.00 0.00 H new ATOM 499 N GLU A 31 12.178 -1.441 -9.790 1.00 0.00 N ATOM 500 CA GLU A 31 12.261 -2.739 -10.437 1.00 0.00 C ATOM 501 C GLU A 31 10.895 -3.151 -10.993 1.00 0.00 C ATOM 502 O GLU A 31 10.792 -3.647 -12.114 1.00 0.00 O ATOM 503 CB GLU A 31 12.774 -3.782 -9.438 1.00 0.00 C ATOM 504 CG GLU A 31 12.782 -5.209 -9.965 1.00 0.00 C ATOM 505 CD GLU A 31 13.583 -5.365 -11.240 1.00 0.00 C ATOM 506 OE1 GLU A 31 14.787 -5.045 -11.231 1.00 0.00 O ATOM 507 OE2 GLU A 31 13.005 -5.812 -12.255 1.00 0.00 O ATOM 0 H GLU A 31 12.383 -1.457 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 31 12.959 -2.675 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.787 -3.513 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.156 -3.743 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.192 -5.870 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.756 -5.529 -10.146 1.00 0.00 H new ATOM 514 N LYS A 32 9.852 -2.923 -10.206 1.00 0.00 N ATOM 515 CA LYS A 32 8.498 -3.334 -10.572 1.00 0.00 C ATOM 516 C LYS A 32 7.703 -2.204 -11.235 1.00 0.00 C ATOM 517 O LYS A 32 6.556 -2.400 -11.638 1.00 0.00 O ATOM 518 CB LYS A 32 7.750 -3.845 -9.338 1.00 0.00 C ATOM 519 CG LYS A 32 7.625 -5.363 -9.271 1.00 0.00 C ATOM 520 CD LYS A 32 8.979 -6.064 -9.266 1.00 0.00 C ATOM 521 CE LYS A 32 8.810 -7.578 -9.210 1.00 0.00 C ATOM 522 NZ LYS A 32 10.109 -8.303 -9.251 1.00 0.00 N ATOM 0 H LYS A 32 9.916 -2.452 -9.303 1.00 0.00 H new ATOM 0 HA LYS A 32 8.593 -4.137 -11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.264 -3.494 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.752 -3.408 -9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.074 -5.639 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.042 -5.714 -10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.538 -5.790 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.563 -5.728 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.277 -7.846 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.191 -7.902 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.936 -9.328 -9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.608 -8.071 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.692 -8.018 -8.438 1.00 0.00 H new ATOM 536 N ASN A 33 8.318 -1.025 -11.323 1.00 0.00 N ATOM 537 CA ASN A 33 7.688 0.167 -11.912 1.00 0.00 C ATOM 538 C ASN A 33 6.488 0.619 -11.086 1.00 0.00 C ATOM 539 O ASN A 33 5.453 1.019 -11.619 1.00 0.00 O ATOM 540 CB ASN A 33 7.270 -0.075 -13.368 1.00 0.00 C ATOM 541 CG ASN A 33 8.447 -0.099 -14.324 1.00 0.00 C ATOM 542 OD1 ASN A 33 9.557 -0.490 -13.960 1.00 0.00 O ATOM 543 ND2 ASN A 33 8.213 0.317 -15.554 1.00 0.00 N ATOM 0 H ASN A 33 9.268 -0.864 -10.989 1.00 0.00 H new ATOM 0 HA ASN A 33 8.434 0.961 -11.903 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.735 -1.022 -13.434 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.575 0.706 -13.676 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.966 0.322 -16.242 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.279 0.633 -15.816 1.00 0.00 H new ATOM 550 N LEU A 34 6.659 0.558 -9.783 1.00 0.00 N ATOM 551 CA LEU A 34 5.649 0.960 -8.820 1.00 0.00 C ATOM 552 C LEU A 34 6.265 1.969 -7.868 1.00 0.00 C ATOM 553 O LEU A 34 7.476 2.175 -7.887 1.00 0.00 O ATOM 554 CB LEU A 34 5.145 -0.255 -8.034 1.00 0.00 C ATOM 555 CG LEU A 34 4.465 -1.341 -8.869 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.145 -2.551 -8.007 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.195 -0.803 -9.508 1.00 0.00 C ATOM 0 H LEU A 34 7.520 0.221 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 34 4.802 1.404 -9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.989 -0.701 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.442 0.090 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 34 5.151 -1.646 -9.659 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.661 -3.314 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.067 -2.952 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.477 -2.255 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.724 -1.589 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.508 -0.473 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.442 0.039 -10.155 1.00 0.00 H new ATOM 569 N THR A 35 5.446 2.623 -7.065 1.00 0.00 N ATOM 570 CA THR A 35 5.971 3.516 -6.050 1.00 0.00 C ATOM 571 C THR A 35 5.889 2.835 -4.690 1.00 0.00 C ATOM 572 O THR A 35 5.091 1.913 -4.511 1.00 0.00 O ATOM 573 CB THR A 35 5.213 4.862 -6.005 1.00 0.00 C ATOM 574 OG1 THR A 35 3.829 4.652 -5.684 1.00 0.00 O ATOM 575 CG2 THR A 35 5.326 5.591 -7.337 1.00 0.00 C ATOM 0 H THR A 35 4.429 2.554 -7.095 1.00 0.00 H new ATOM 0 HA THR A 35 7.008 3.736 -6.304 1.00 0.00 H new ATOM 0 HB THR A 35 5.668 5.477 -5.228 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.370 4.261 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.785 6.536 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.376 5.786 -7.557 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.899 4.974 -8.127 1.00 0.00 H new ATOM 583 N LEU A 36 6.716 3.262 -3.743 1.00 0.00 N ATOM 584 CA LEU A 36 6.710 2.671 -2.406 1.00 0.00 C ATOM 585 C LEU A 36 5.320 2.775 -1.779 1.00 0.00 C ATOM 586 O LEU A 36 4.891 1.886 -1.040 1.00 0.00 O ATOM 587 CB LEU A 36 7.771 3.322 -1.501 1.00 0.00 C ATOM 588 CG LEU A 36 7.550 4.790 -1.103 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.570 5.200 -0.051 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.644 5.720 -2.305 1.00 0.00 C ATOM 0 H LEU A 36 7.396 4.011 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 36 6.965 1.616 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.844 2.732 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.735 3.250 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 36 6.544 4.876 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.408 6.241 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.458 4.568 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.576 5.085 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.482 6.749 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.632 5.632 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.885 5.446 -3.038 1.00 0.00 H new ATOM 602 N SER A 37 4.617 3.849 -2.113 1.00 0.00 N ATOM 603 CA SER A 37 3.233 4.033 -1.707 1.00 0.00 C ATOM 604 C SER A 37 2.373 2.856 -2.173 1.00 0.00 C ATOM 605 O SER A 37 1.583 2.302 -1.404 1.00 0.00 O ATOM 606 CB SER A 37 2.709 5.334 -2.307 1.00 0.00 C ATOM 607 OG SER A 37 3.625 6.392 -2.078 1.00 0.00 O ATOM 0 H SER A 37 4.991 4.616 -2.672 1.00 0.00 H new ATOM 0 HA SER A 37 3.181 4.081 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.549 5.209 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.743 5.581 -1.867 1.00 0.00 H new ATOM 0 HG SER A 37 3.245 7.019 -1.428 1.00 0.00 H new ATOM 613 N ASP A 38 2.559 2.466 -3.432 1.00 0.00 N ATOM 614 CA ASP A 38 1.810 1.359 -4.013 1.00 0.00 C ATOM 615 C ASP A 38 2.146 0.068 -3.300 1.00 0.00 C ATOM 616 O ASP A 38 1.261 -0.701 -2.944 1.00 0.00 O ATOM 617 CB ASP A 38 2.117 1.185 -5.505 1.00 0.00 C ATOM 618 CG ASP A 38 1.700 2.368 -6.344 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.513 2.753 -6.290 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.556 2.908 -7.073 1.00 0.00 O ATOM 0 H ASP A 38 3.225 2.903 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 38 0.752 1.593 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.187 1.018 -5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.610 0.292 -5.871 1.00 0.00 H new ATOM 625 N VAL A 39 3.432 -0.145 -3.067 1.00 0.00 N ATOM 626 CA VAL A 39 3.907 -1.385 -2.480 1.00 0.00 C ATOM 627 C VAL A 39 3.307 -1.599 -1.094 1.00 0.00 C ATOM 628 O VAL A 39 2.945 -2.716 -0.740 1.00 0.00 O ATOM 629 CB VAL A 39 5.449 -1.411 -2.382 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.938 -2.737 -1.813 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.077 -1.149 -3.746 1.00 0.00 C ATOM 0 H VAL A 39 4.167 0.530 -3.277 1.00 0.00 H new ATOM 0 HA VAL A 39 3.586 -2.193 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 39 5.757 -0.618 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.026 -2.729 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.522 -2.880 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.616 -3.552 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.163 -1.171 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.755 -1.918 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.763 -0.171 -4.109 1.00 0.00 H new ATOM 641 N CYS A 40 3.183 -0.525 -0.322 1.00 0.00 N ATOM 642 CA CYS A 40 2.655 -0.620 1.034 1.00 0.00 C ATOM 643 C CYS A 40 1.165 -0.973 1.051 1.00 0.00 C ATOM 644 O CYS A 40 0.763 -1.925 1.712 1.00 0.00 O ATOM 645 CB CYS A 40 2.928 0.676 1.805 1.00 0.00 C ATOM 646 SG CYS A 40 4.113 0.502 3.155 1.00 0.00 S ATOM 0 H CYS A 40 3.440 0.419 -0.611 1.00 0.00 H new ATOM 0 HA CYS A 40 3.175 -1.437 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.297 1.429 1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.987 1.050 2.209 1.00 0.00 H new ATOM 0 HG CYS A 40 4.275 1.651 3.741 1.00 0.00 H new ATOM 652 N ARG A 41 0.338 -0.204 0.353 1.00 0.00 N ATOM 653 CA ARG A 41 -1.081 -0.542 0.241 1.00 0.00 C ATOM 654 C ARG A 41 -1.295 -1.912 -0.416 1.00 0.00 C ATOM 655 O ARG A 41 -2.213 -2.643 -0.047 1.00 0.00 O ATOM 656 CB ARG A 41 -1.858 0.559 -0.492 1.00 0.00 C ATOM 657 CG ARG A 41 -1.276 1.001 -1.826 1.00 0.00 C ATOM 658 CD ARG A 41 -1.812 0.185 -2.991 1.00 0.00 C ATOM 659 NE ARG A 41 -1.392 0.752 -4.274 1.00 0.00 N ATOM 660 CZ ARG A 41 -1.960 0.474 -5.447 1.00 0.00 C ATOM 661 NH1 ARG A 41 -2.979 -0.375 -5.519 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.509 1.055 -6.550 1.00 0.00 N ATOM 0 H ARG A 41 0.616 0.646 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.477 -0.610 1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.877 0.209 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.923 1.429 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.505 2.054 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.190 0.912 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.458 -0.843 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.900 0.152 -2.944 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.609 1.406 -4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.333 -0.820 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.408 -0.582 -6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.730 1.712 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.941 0.845 -7.450 1.00 0.00 H new ATOM 676 N LEU A 42 -0.440 -2.282 -1.365 1.00 0.00 N ATOM 677 CA LEU A 42 -0.515 -3.614 -1.959 1.00 0.00 C ATOM 678 C LEU A 42 -0.121 -4.655 -0.925 1.00 0.00 C ATOM 679 O LEU A 42 -0.608 -5.787 -0.938 1.00 0.00 O ATOM 680 CB LEU A 42 0.391 -3.728 -3.187 1.00 0.00 C ATOM 681 CG LEU A 42 -0.048 -2.905 -4.397 1.00 0.00 C ATOM 682 CD1 LEU A 42 0.968 -3.026 -5.522 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.424 -3.352 -4.871 1.00 0.00 C ATOM 0 H LEU A 42 0.303 -1.689 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.541 -3.787 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.398 -3.422 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.447 -4.776 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.107 -1.858 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.638 -2.433 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.936 -2.661 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.059 -4.071 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.723 -2.756 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.388 -4.405 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.148 -3.216 -4.067 1.00 0.00 H new ATOM 695 N ALA A 43 0.745 -4.247 -0.012 1.00 0.00 N ATOM 696 CA ALA A 43 1.186 -5.112 1.058 1.00 0.00 C ATOM 697 C ALA A 43 0.073 -5.313 2.077 1.00 0.00 C ATOM 698 O ALA A 43 0.009 -6.343 2.742 1.00 0.00 O ATOM 699 CB ALA A 43 2.422 -4.547 1.724 1.00 0.00 C ATOM 0 H ALA A 43 1.156 -3.314 0.005 1.00 0.00 H new ATOM 0 HA ALA A 43 1.440 -6.083 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.739 -5.212 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.222 -4.458 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.196 -3.563 2.136 1.00 0.00 H new ATOM 705 N ILE A 44 -0.809 -4.321 2.192 1.00 0.00 N ATOM 706 CA ILE A 44 -1.961 -4.425 3.074 1.00 0.00 C ATOM 707 C ILE A 44 -2.900 -5.492 2.539 1.00 0.00 C ATOM 708 O ILE A 44 -3.499 -6.253 3.296 1.00 0.00 O ATOM 709 CB ILE A 44 -2.720 -3.083 3.209 1.00 0.00 C ATOM 710 CG1 ILE A 44 -1.796 -2.008 3.785 1.00 0.00 C ATOM 711 CG2 ILE A 44 -3.949 -3.248 4.092 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.461 -0.654 3.947 1.00 0.00 C ATOM 0 H ILE A 44 -0.744 -3.439 1.684 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.600 -4.694 4.067 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.047 -2.772 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.428 -2.340 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.928 -1.901 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.469 -2.293 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.617 -3.988 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.643 -3.581 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.745 0.056 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.805 -0.299 2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.312 -0.745 4.622 1.00 0.00 H new ATOM 724 N LYS A 45 -3.009 -5.546 1.220 1.00 0.00 N ATOM 725 CA LYS A 45 -3.766 -6.595 0.565 1.00 0.00 C ATOM 726 C LYS A 45 -3.182 -7.967 0.909 1.00 0.00 C ATOM 727 O LYS A 45 -3.919 -8.928 1.137 1.00 0.00 O ATOM 728 CB LYS A 45 -3.784 -6.370 -0.948 1.00 0.00 C ATOM 729 CG LYS A 45 -4.452 -7.489 -1.729 1.00 0.00 C ATOM 730 CD LYS A 45 -4.712 -7.086 -3.169 1.00 0.00 C ATOM 731 CE LYS A 45 -5.806 -6.032 -3.260 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.133 -6.568 -2.845 1.00 0.00 N ATOM 0 H LYS A 45 -2.581 -4.873 0.584 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.794 -6.565 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.300 -5.434 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.759 -6.256 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.820 -8.377 -1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.394 -7.757 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.794 -6.699 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.000 -7.963 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.545 -5.183 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.868 -5.662 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.885 -5.935 -3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.268 -7.515 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.174 -6.628 -1.808 1.00 0.00 H new ATOM 746 N GLU A 46 -1.853 -8.041 0.975 1.00 0.00 N ATOM 747 CA GLU A 46 -1.169 -9.273 1.356 1.00 0.00 C ATOM 748 C GLU A 46 -1.433 -9.562 2.825 1.00 0.00 C ATOM 749 O GLU A 46 -1.577 -10.713 3.239 1.00 0.00 O ATOM 750 CB GLU A 46 0.340 -9.143 1.134 1.00 0.00 C ATOM 751 CG GLU A 46 0.734 -8.792 -0.288 1.00 0.00 C ATOM 752 CD GLU A 46 0.549 -9.939 -1.253 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.474 -10.773 -1.371 1.00 0.00 O ATOM 754 OE2 GLU A 46 -0.512 -9.998 -1.911 1.00 0.00 O ATOM 0 H GLU A 46 -1.229 -7.261 0.769 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.548 -10.087 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.730 -8.378 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.818 -10.083 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.140 -7.942 -0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.777 -8.477 -0.303 1.00 0.00 H new ATOM 761 N TYR A 47 -1.506 -8.493 3.606 1.00 0.00 N ATOM 762 CA TYR A 47 -1.759 -8.590 5.028 1.00 0.00 C ATOM 763 C TYR A 47 -3.141 -9.188 5.267 1.00 0.00 C ATOM 764 O TYR A 47 -3.309 -10.091 6.087 1.00 0.00 O ATOM 765 CB TYR A 47 -1.660 -7.202 5.671 1.00 0.00 C ATOM 766 CG TYR A 47 -1.536 -7.226 7.177 1.00 0.00 C ATOM 767 CD1 TYR A 47 -2.660 -7.270 7.993 1.00 0.00 C ATOM 768 CD2 TYR A 47 -0.289 -7.210 7.782 1.00 0.00 C ATOM 769 CE1 TYR A 47 -2.542 -7.294 9.369 1.00 0.00 C ATOM 770 CE2 TYR A 47 -0.160 -7.236 9.157 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.288 -7.279 9.946 1.00 0.00 C ATOM 772 OH TYR A 47 -1.165 -7.307 11.315 1.00 0.00 O ATOM 0 H TYR A 47 -1.391 -7.538 3.268 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.012 -9.240 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.798 -6.681 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.543 -6.624 5.399 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.642 -7.286 7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.598 -7.177 7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.425 -7.324 9.990 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.820 -7.223 9.611 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.216 -7.292 11.559 1.00 0.00 H new ATOM 782 N LEU A 48 -4.118 -8.689 4.521 1.00 0.00 N ATOM 783 CA LEU A 48 -5.490 -9.168 4.622 1.00 0.00 C ATOM 784 C LEU A 48 -5.603 -10.602 4.123 1.00 0.00 C ATOM 785 O LEU A 48 -6.331 -11.410 4.687 1.00 0.00 O ATOM 786 CB LEU A 48 -6.431 -8.257 3.824 1.00 0.00 C ATOM 787 CG LEU A 48 -6.435 -6.786 4.248 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.394 -5.986 3.379 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.810 -6.655 5.715 1.00 0.00 C ATOM 0 H LEU A 48 -3.984 -7.947 3.834 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.781 -9.146 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.157 -8.313 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.446 -8.646 3.911 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.430 -6.385 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.385 -4.942 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.083 -6.054 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.402 -6.388 3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.808 -5.603 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.804 -7.072 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.087 -7.197 6.325 1.00 0.00 H new ATOM 801 N ASP A 49 -4.880 -10.905 3.060 1.00 0.00 N ATOM 802 CA ASP A 49 -4.887 -12.243 2.476 1.00 0.00 C ATOM 803 C ASP A 49 -4.349 -13.293 3.452 1.00 0.00 C ATOM 804 O ASP A 49 -4.952 -14.351 3.640 1.00 0.00 O ATOM 805 CB ASP A 49 -4.054 -12.250 1.195 1.00 0.00 C ATOM 806 CG ASP A 49 -3.943 -13.627 0.567 1.00 0.00 C ATOM 807 OD1 ASP A 49 -4.991 -14.226 0.248 1.00 0.00 O ATOM 808 OD2 ASP A 49 -2.808 -14.113 0.378 1.00 0.00 O ATOM 0 H ASP A 49 -4.275 -10.240 2.577 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.921 -12.502 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.499 -11.563 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.054 -11.876 1.416 1.00 0.00 H new ATOM 813 N ASN A 50 -3.217 -12.992 4.073 1.00 0.00 N ATOM 814 CA ASN A 50 -2.533 -13.958 4.927 1.00 0.00 C ATOM 815 C ASN A 50 -3.092 -13.998 6.346 1.00 0.00 C ATOM 816 O ASN A 50 -3.160 -15.062 6.959 1.00 0.00 O ATOM 817 CB ASN A 50 -1.034 -13.665 4.964 1.00 0.00 C ATOM 818 CG ASN A 50 -0.348 -14.024 3.661 1.00 0.00 C ATOM 819 OD1 ASN A 50 0.093 -15.158 3.473 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.251 -13.067 2.749 1.00 0.00 N ATOM 0 H ASN A 50 -2.751 -12.087 4.003 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.707 -14.941 4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.877 -12.607 5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.576 -14.224 5.780 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.201 -13.258 1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.629 -12.139 2.941 1.00 0.00 H new ATOM 1084 N GLY B 10 13.016 8.517 9.694 1.00 0.00 N ATOM 1085 CA GLY B 10 11.692 8.480 9.130 1.00 0.00 C ATOM 1086 C GLY B 10 11.546 9.420 7.954 1.00 0.00 C ATOM 1087 O GLY B 10 11.606 10.640 8.107 1.00 0.00 O ATOM 0 HA2 GLY B 10 11.463 7.463 8.811 1.00 0.00 H new ATOM 0 HA3 GLY B 10 10.964 8.745 9.897 1.00 0.00 H new ATOM 1091 N ILE B 11 11.364 8.841 6.780 1.00 0.00 N ATOM 1092 CA ILE B 11 11.175 9.606 5.555 1.00 0.00 C ATOM 1093 C ILE B 11 9.701 9.544 5.172 1.00 0.00 C ATOM 1094 O ILE B 11 9.014 8.582 5.525 1.00 0.00 O ATOM 1095 CB ILE B 11 12.049 9.052 4.401 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.481 8.796 4.879 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.056 10.011 3.214 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.204 10.040 5.348 1.00 0.00 C ATOM 0 H ILE B 11 11.343 7.830 6.647 1.00 0.00 H new ATOM 0 HA ILE B 11 11.481 10.638 5.728 1.00 0.00 H new ATOM 0 HB ILE B 11 11.614 8.106 4.079 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.457 8.073 5.694 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.049 8.342 4.067 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.676 9.600 2.418 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.038 10.145 2.849 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.459 10.974 3.527 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.211 9.776 5.670 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.261 10.758 4.530 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.661 10.484 6.182 1.00 0.00 H new ATOM 1110 N LYS B 12 9.220 10.533 4.433 1.00 0.00 N ATOM 1111 CA LYS B 12 7.787 10.688 4.228 1.00 0.00 C ATOM 1112 C LYS B 12 7.345 10.095 2.904 1.00 0.00 C ATOM 1113 O LYS B 12 7.849 10.448 1.839 1.00 0.00 O ATOM 1114 CB LYS B 12 7.408 12.173 4.269 1.00 0.00 C ATOM 1115 CG LYS B 12 5.923 12.439 4.087 1.00 0.00 C ATOM 1116 CD LYS B 12 5.099 11.794 5.189 1.00 0.00 C ATOM 1117 CE LYS B 12 3.617 12.102 5.035 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.339 13.562 5.083 1.00 0.00 N ATOM 0 H LYS B 12 9.796 11.235 3.968 1.00 0.00 H new ATOM 0 HA LYS B 12 7.280 10.152 5.030 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.727 12.592 5.223 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.959 12.699 3.489 1.00 0.00 H new ATOM 0 HG2 LYS B 12 5.744 13.514 4.080 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.600 12.056 3.119 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.250 10.715 5.173 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.446 12.150 6.159 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.260 11.697 4.088 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.059 11.601 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.321 13.717 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.871 13.991 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.630 14.000 4.186 1.00 0.00 H new ATOM 1132 N LEU B 13 6.400 9.179 2.998 1.00 0.00 N ATOM 1133 CA LEU B 13 5.796 8.563 1.838 1.00 0.00 C ATOM 1134 C LEU B 13 4.285 8.624 1.954 1.00 0.00 C ATOM 1135 O LEU B 13 3.725 8.359 3.021 1.00 0.00 O ATOM 1136 CB LEU B 13 6.250 7.107 1.683 1.00 0.00 C ATOM 1137 CG LEU B 13 6.119 6.226 2.935 1.00 0.00 C ATOM 1138 CD1 LEU B 13 6.007 4.760 2.545 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.313 6.430 3.862 1.00 0.00 C ATOM 0 H LEU B 13 6.030 8.842 3.887 1.00 0.00 H new ATOM 0 HA LEU B 13 6.117 9.113 0.953 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.673 6.650 0.879 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.293 7.104 1.368 1.00 0.00 H new ATOM 0 HG LEU B 13 5.212 6.519 3.464 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.915 4.150 3.444 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.127 4.617 1.918 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.898 4.461 1.994 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.202 5.798 4.743 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.231 6.164 3.337 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.361 7.475 4.169 1.00 0.00 H new ATOM 1151 N GLY B 14 3.629 8.995 0.871 1.00 0.00 N ATOM 1152 CA GLY B 14 2.192 9.077 0.883 1.00 0.00 C ATOM 1153 C GLY B 14 1.550 7.914 0.163 1.00 0.00 C ATOM 1154 O GLY B 14 1.814 7.691 -1.016 1.00 0.00 O ATOM 0 H GLY B 14 4.068 9.241 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.840 9.104 1.914 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.879 10.010 0.415 1.00 0.00 H new ATOM 1158 N VAL B 15 0.713 7.173 0.867 1.00 0.00 N ATOM 1159 CA VAL B 15 0.030 6.029 0.285 1.00 0.00 C ATOM 1160 C VAL B 15 -1.431 6.391 0.007 1.00 0.00 C ATOM 1161 O VAL B 15 -1.980 7.303 0.630 1.00 0.00 O ATOM 1162 CB VAL B 15 0.128 4.782 1.215 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.534 3.565 0.587 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.584 4.481 1.541 1.00 0.00 C ATOM 0 H VAL B 15 0.488 7.343 1.847 1.00 0.00 H new ATOM 0 HA VAL B 15 0.517 5.771 -0.656 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.404 5.012 2.138 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.447 2.714 1.263 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.588 3.777 0.405 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.043 3.330 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.638 3.608 2.191 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.130 4.281 0.619 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.028 5.338 2.047 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.039 5.707 -0.954 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.437 5.932 -1.304 1.00 0.00 C ATOM 1176 C TYR B 16 -4.212 4.628 -1.264 1.00 0.00 C ATOM 1177 O TYR B 16 -3.812 3.647 -1.890 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.555 6.548 -2.699 1.00 0.00 C ATOM 1179 CG TYR B 16 -3.716 8.045 -2.677 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.815 8.620 -2.060 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -2.776 8.880 -3.262 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -4.979 9.987 -2.024 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -2.932 10.251 -3.232 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.034 10.802 -2.611 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.190 12.169 -2.585 1.00 0.00 O ATOM 0 H TYR B 16 -1.581 4.985 -1.510 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.856 6.623 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.667 6.293 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.408 6.105 -3.213 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.557 7.985 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.911 8.452 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.842 10.418 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.194 10.890 -3.693 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.434 12.593 -3.042 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.314 4.611 -0.518 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.138 3.415 -0.422 1.00 0.00 C ATOM 1197 C ILE B 17 -7.622 3.772 -0.357 1.00 0.00 C ATOM 1198 O ILE B 17 -7.981 4.881 0.052 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.769 2.532 0.796 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -6.070 3.237 2.117 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.305 2.126 0.746 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.731 2.398 3.333 1.00 0.00 C ATOM 0 H ILE B 17 -5.653 5.406 0.024 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.940 2.840 -1.326 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.388 1.636 0.742 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.508 4.170 2.159 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.127 3.500 2.148 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.069 1.507 1.611 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -4.115 1.561 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.679 3.018 0.758 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.969 2.957 4.238 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.312 1.476 3.313 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.668 2.157 3.324 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.495 2.831 -0.764 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.957 3.032 -0.803 1.00 0.00 C ATOM 1216 C PRO B 18 -10.542 3.517 0.525 1.00 0.00 C ATOM 1217 O PRO B 18 -9.947 3.342 1.594 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.493 1.635 -1.125 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.379 0.947 -1.832 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.110 1.487 -1.238 1.00 0.00 C ATOM 0 HA PRO B 18 -10.229 3.803 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.773 1.101 -0.217 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.384 1.689 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.442 -0.133 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.420 1.140 -2.904 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.751 0.861 -0.421 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.310 1.536 -1.977 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.727 4.125 0.458 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.396 4.617 1.654 1.00 0.00 C ATOM 1230 C GLN B 19 -13.013 3.457 2.424 1.00 0.00 C ATOM 1231 O GLN B 19 -13.120 3.511 3.642 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.456 5.678 1.313 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.675 5.149 0.567 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.917 5.033 1.439 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -15.738 4.767 2.724 1.00 0.00 O flip ATOM 1236 NE2 GLN B 19 -17.038 5.176 0.953 1.00 0.00 N flip ATOM 0 H GLN B 19 -12.238 4.286 -0.410 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.650 5.099 2.286 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.790 6.148 2.238 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -12.989 6.457 0.710 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.891 5.808 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.440 4.169 0.151 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -17.141 5.380 -0.041 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -17.865 5.090 1.544 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.441 2.422 1.702 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.880 1.172 2.329 1.00 0.00 C ATOM 1247 C GLU B 20 -12.736 0.546 3.118 1.00 0.00 C ATOM 1248 O GLU B 20 -12.951 -0.197 4.074 1.00 0.00 O ATOM 1249 CB GLU B 20 -14.415 0.171 1.295 1.00 0.00 C ATOM 1250 CG GLU B 20 -13.852 0.340 -0.109 1.00 0.00 C ATOM 1251 CD GLU B 20 -14.565 1.425 -0.885 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -15.687 1.171 -1.369 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -14.019 2.544 -0.994 1.00 0.00 O ATOM 0 H GLU B 20 -13.494 2.423 0.683 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.697 1.416 3.008 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -14.195 -0.839 1.640 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -15.500 0.263 1.249 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -12.790 0.579 -0.046 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -13.935 -0.604 -0.648 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.516 0.890 2.732 1.00 0.00 N ATOM 1261 CA TRP B 21 -10.337 0.420 3.435 1.00 0.00 C ATOM 1262 C TRP B 21 -10.113 1.270 4.666 1.00 0.00 C ATOM 1263 O TRP B 21 -9.822 0.756 5.732 1.00 0.00 O ATOM 1264 CB TRP B 21 -9.109 0.500 2.537 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.682 -0.805 1.946 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.470 -1.841 1.536 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.340 -1.198 1.694 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.686 -2.851 1.028 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.371 -2.477 1.119 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -6.114 -0.581 1.903 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.205 -3.144 0.744 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.967 -1.235 1.534 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -5.014 -2.502 0.961 1.00 0.00 C ATOM 0 H TRP B 21 -11.319 1.494 1.934 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.494 -0.619 3.723 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -9.313 1.201 1.727 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -8.280 0.911 3.113 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.548 -1.865 1.601 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -9.028 -3.733 0.646 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -6.065 0.401 2.350 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.239 -4.128 0.300 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -4.011 -0.759 1.691 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.092 -2.990 0.681 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.272 2.577 4.521 1.00 0.00 N ATOM 1285 CA HIS B 22 -10.204 3.468 5.674 1.00 0.00 C ATOM 1286 C HIS B 22 -11.276 3.089 6.683 1.00 0.00 C ATOM 1287 O HIS B 22 -11.066 3.157 7.881 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.359 4.931 5.255 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.088 5.545 4.756 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.419 6.541 5.432 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.364 5.301 3.639 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.337 6.882 4.759 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.279 6.143 3.667 1.00 0.00 N ATOM 0 H HIS B 22 -10.447 3.041 3.630 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.222 3.357 6.135 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.117 4.999 4.475 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.723 5.508 6.105 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -8.715 6.952 6.317 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.596 4.579 2.870 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.621 7.636 5.051 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.417 2.667 6.174 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.520 2.207 7.005 1.00 0.00 C ATOM 1304 C ASP B 23 -13.096 1.023 7.885 1.00 0.00 C ATOM 1305 O ASP B 23 -13.008 1.141 9.116 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.684 1.814 6.095 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.907 1.359 6.852 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.964 0.175 7.228 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.833 2.177 7.037 1.00 0.00 O ATOM 0 H ASP B 23 -12.609 2.632 5.173 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.828 3.011 7.674 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.949 2.665 5.468 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.360 1.015 5.428 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.766 -0.096 7.243 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.479 -1.338 7.962 1.00 0.00 C ATOM 1316 C ARG B 24 -11.126 -1.264 8.656 1.00 0.00 C ATOM 1317 O ARG B 24 -11.012 -1.514 9.855 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.442 -2.529 6.998 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.584 -2.595 6.001 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.927 -2.851 6.661 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.907 -3.302 5.674 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.537 -2.509 4.807 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.448 -1.185 4.902 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.281 -3.053 3.854 1.00 0.00 N ATOM 0 H ARG B 24 -12.691 -0.169 6.228 1.00 0.00 H new ATOM 0 HA ARG B 24 -13.272 -1.471 8.697 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.502 -2.499 6.447 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -12.439 -3.449 7.583 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.630 -1.658 5.446 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.383 -3.385 5.277 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.817 -3.603 7.442 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -15.281 -1.940 7.143 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.125 -4.298 5.647 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.892 -0.763 5.646 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.936 -0.592 4.231 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.366 -4.067 3.790 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.768 -2.457 3.185 1.00 0.00 H new ATOM 1338 N LEU B 25 -10.108 -0.903 7.892 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.731 -0.951 8.361 1.00 0.00 C ATOM 1340 C LEU B 25 -8.493 0.045 9.489 1.00 0.00 C ATOM 1341 O LEU B 25 -7.794 -0.269 10.445 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.751 -0.697 7.204 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.509 -1.879 6.245 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.836 -3.026 6.979 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -8.804 -2.355 5.602 1.00 0.00 C ATOM 0 H LEU B 25 -10.211 -0.570 6.933 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.552 -1.952 8.754 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -8.120 0.147 6.621 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.792 -0.397 7.627 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.851 -1.529 5.450 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -6.672 -3.853 6.289 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.879 -2.691 7.378 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -7.474 -3.358 7.798 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -8.593 -3.189 4.933 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -9.498 -2.679 6.378 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -9.250 -1.538 5.034 1.00 0.00 H new ATOM 1357 N MET B 26 -9.063 1.244 9.387 1.00 0.00 N ATOM 1358 CA MET B 26 -8.904 2.225 10.454 1.00 0.00 C ATOM 1359 C MET B 26 -9.647 1.770 11.705 1.00 0.00 C ATOM 1360 O MET B 26 -9.250 2.101 12.817 1.00 0.00 O ATOM 1361 CB MET B 26 -9.370 3.619 10.023 1.00 0.00 C ATOM 1362 CG MET B 26 -8.530 4.763 10.581 1.00 0.00 C ATOM 1363 SD MET B 26 -8.697 4.976 12.365 1.00 0.00 S ATOM 1364 CE MET B 26 -7.617 6.377 12.640 1.00 0.00 C ATOM 0 H MET B 26 -9.626 1.554 8.595 1.00 0.00 H new ATOM 0 HA MET B 26 -7.840 2.297 10.681 1.00 0.00 H new ATOM 0 HB2 MET B 26 -9.358 3.673 8.934 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.405 3.757 10.338 1.00 0.00 H new ATOM 0 HG2 MET B 26 -7.482 4.584 10.341 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.817 5.690 10.084 1.00 0.00 H new ATOM 0 HE1 MET B 26 -7.613 6.631 13.700 1.00 0.00 H new ATOM 0 HE2 MET B 26 -6.605 6.124 12.324 1.00 0.00 H new ATOM 0 HE3 MET B 26 -7.974 7.230 12.064 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.733 1.011 11.539 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.410 0.445 12.698 1.00 0.00 C ATOM 1376 C GLU B 27 -10.504 -0.582 13.369 1.00 0.00 C ATOM 1377 O GLU B 27 -10.448 -0.677 14.596 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.753 -0.186 12.322 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.577 -0.582 13.536 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.926 -1.164 13.179 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.858 -0.384 12.888 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.072 -2.402 13.222 1.00 0.00 O ATOM 0 H GLU B 27 -11.150 0.781 10.637 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.621 1.255 13.396 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.323 0.518 11.715 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.576 -1.067 11.706 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.019 -1.311 14.124 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.723 0.293 14.169 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.776 -1.332 12.550 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.776 -2.266 13.054 1.00 0.00 C ATOM 1391 C ILE B 28 -7.651 -1.485 13.725 1.00 0.00 C ATOM 1392 O ILE B 28 -7.075 -1.916 14.721 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.200 -3.149 11.920 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.325 -3.925 11.230 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -7.146 -4.107 12.463 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.868 -4.728 10.030 1.00 0.00 C ATOM 0 H ILE B 28 -9.859 -1.312 11.534 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.256 -2.926 13.777 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.722 -2.499 11.187 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.785 -4.599 11.953 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.096 -3.223 10.913 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.755 -4.717 11.649 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.333 -3.537 12.912 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.595 -4.753 13.217 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.721 -5.250 9.595 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.435 -4.058 9.287 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -8.119 -5.455 10.343 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.363 -0.320 13.162 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.363 0.587 13.702 1.00 0.00 C ATOM 1410 C ALA B 29 -6.778 1.098 15.080 1.00 0.00 C ATOM 1411 O ALA B 29 -5.937 1.379 15.929 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.132 1.742 12.739 1.00 0.00 C ATOM 0 H ALA B 29 -7.818 0.023 12.316 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.426 0.042 13.820 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.381 2.416 13.152 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.783 1.354 11.782 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.065 2.285 12.592 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.080 1.185 15.311 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.596 1.602 16.609 1.00 0.00 C ATOM 1420 C LYS B 30 -8.513 0.430 17.565 1.00 0.00 C ATOM 1421 O LYS B 30 -8.167 0.574 18.738 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.056 2.046 16.495 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.300 3.159 15.486 1.00 0.00 C ATOM 1424 CD LYS B 30 -11.787 3.443 15.330 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.052 4.621 14.406 1.00 0.00 C ATOM 1426 NZ LYS B 30 -11.571 4.375 13.022 1.00 0.00 N ATOM 0 H LYS B 30 -8.798 0.973 14.619 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.002 2.440 16.973 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.664 1.184 16.221 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.399 2.379 17.475 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.786 4.065 15.808 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.877 2.878 14.521 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.285 2.556 14.938 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.221 3.646 16.309 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -13.122 4.829 14.384 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.563 5.510 14.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.935 5.117 12.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.531 4.388 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.910 3.447 12.697 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.825 -0.734 17.025 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.797 -1.982 17.762 1.00 0.00 C ATOM 1442 C GLU B 31 -7.384 -2.292 18.269 1.00 0.00 C ATOM 1443 O GLU B 31 -7.198 -2.702 19.413 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.309 -3.101 16.845 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.317 -4.484 17.467 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.144 -4.555 18.729 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -11.372 -4.367 18.650 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -9.561 -4.798 19.803 1.00 0.00 O ATOM 0 H GLU B 31 -9.108 -0.839 16.051 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.440 -1.902 18.638 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -10.323 -2.855 16.528 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.691 -3.126 15.947 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -9.705 -5.200 16.743 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -8.293 -4.782 17.692 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.394 -2.097 17.406 1.00 0.00 N ATOM 1456 CA LYS B 32 -5.005 -2.431 17.727 1.00 0.00 C ATOM 1457 C LYS B 32 -4.206 -1.234 18.240 1.00 0.00 C ATOM 1458 O LYS B 32 -3.033 -1.374 18.585 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.319 -3.052 16.508 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.290 -4.581 16.505 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.607 -5.202 16.967 1.00 0.00 C ATOM 1462 CE LYS B 32 -5.627 -5.414 18.478 1.00 0.00 C ATOM 1463 NZ LYS B 32 -6.925 -5.957 18.954 1.00 0.00 N ATOM 0 H LYS B 32 -6.525 -1.707 16.473 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.032 -3.156 18.541 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.828 -2.709 15.607 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.295 -2.682 16.456 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.061 -4.933 15.499 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.485 -4.925 17.154 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.436 -4.556 16.678 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.757 -6.157 16.463 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.825 -6.098 18.757 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.427 -4.467 18.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.752 -6.695 19.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.487 -5.191 19.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.445 -6.366 18.152 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.845 -0.064 18.267 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.216 1.170 18.764 1.00 0.00 C ATOM 1479 C ASN B 33 -3.048 1.587 17.877 1.00 0.00 C ATOM 1480 O ASN B 33 -1.978 1.967 18.357 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.744 1.004 20.214 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.889 0.785 21.185 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.282 -0.351 21.459 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -5.439 1.869 21.704 1.00 0.00 N ATOM 0 H ASN B 33 -5.806 0.060 17.949 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.971 1.956 18.734 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -3.057 0.160 20.273 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -3.185 1.891 20.513 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -6.218 1.783 22.357 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -5.084 2.792 21.452 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.282 1.524 16.580 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.281 1.840 15.573 1.00 0.00 C ATOM 1493 C LEU B 34 -2.902 2.759 14.531 1.00 0.00 C ATOM 1494 O LEU B 34 -4.110 2.986 14.549 1.00 0.00 O ATOM 1495 CB LEU B 34 -1.772 0.559 14.900 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.042 -0.424 15.820 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -0.684 -1.692 15.063 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.208 0.215 16.408 1.00 0.00 C ATOM 0 H LEU B 34 -4.183 1.249 16.189 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.436 2.336 16.050 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.620 0.045 14.448 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.100 0.838 14.089 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.710 -0.686 16.641 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.166 -2.380 15.731 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.594 -2.163 14.691 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.035 -1.443 14.223 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.711 -0.501 17.058 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.881 0.508 15.602 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.071 1.096 16.986 1.00 0.00 H new ATOM 1510 N THR B 35 -2.093 3.326 13.658 1.00 0.00 N ATOM 1511 CA THR B 35 -2.633 4.084 12.544 1.00 0.00 C ATOM 1512 C THR B 35 -2.539 3.248 11.275 1.00 0.00 C ATOM 1513 O THR B 35 -1.773 2.285 11.227 1.00 0.00 O ATOM 1514 CB THR B 35 -1.892 5.420 12.328 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.538 5.175 11.931 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.904 6.262 13.594 1.00 0.00 C ATOM 0 H THR B 35 -1.075 3.279 13.695 1.00 0.00 H new ATOM 0 HA THR B 35 -3.672 4.317 12.778 1.00 0.00 H new ATOM 0 HB THR B 35 -2.410 5.967 11.540 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.028 4.841 12.698 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.375 7.198 13.414 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.934 6.476 13.879 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.411 5.716 14.399 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.322 3.587 10.261 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.263 2.864 8.995 1.00 0.00 C ATOM 1526 C LEU B 36 -1.867 2.966 8.390 1.00 0.00 C ATOM 1527 O LEU B 36 -1.391 2.035 7.747 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.328 3.361 8.006 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.155 4.782 7.456 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.112 5.000 6.298 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.397 5.835 8.529 1.00 0.00 C ATOM 0 H LEU B 36 -3.999 4.349 10.287 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.478 1.815 9.200 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.355 2.672 7.162 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.300 3.303 8.496 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.126 4.886 7.113 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.988 6.010 5.908 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.899 4.278 5.509 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.137 4.868 6.644 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.265 6.828 8.100 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.413 5.737 8.912 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.687 5.694 9.344 1.00 0.00 H new ATOM 1543 N SER B 37 -1.212 4.096 8.622 1.00 0.00 N ATOM 1544 CA SER B 37 0.176 4.279 8.232 1.00 0.00 C ATOM 1545 C SER B 37 1.061 3.217 8.890 1.00 0.00 C ATOM 1546 O SER B 37 1.951 2.657 8.249 1.00 0.00 O ATOM 1547 CB SER B 37 0.635 5.680 8.629 1.00 0.00 C ATOM 1548 OG SER B 37 -0.276 6.661 8.159 1.00 0.00 O ATOM 0 H SER B 37 -1.627 4.906 9.083 1.00 0.00 H new ATOM 0 HA SER B 37 0.262 4.168 7.151 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.720 5.746 9.714 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.627 5.872 8.219 1.00 0.00 H new ATOM 0 HG SER B 37 0.220 7.454 7.865 1.00 0.00 H new ATOM 1554 N ASP B 38 0.796 2.933 10.167 1.00 0.00 N ATOM 1555 CA ASP B 38 1.523 1.885 10.882 1.00 0.00 C ATOM 1556 C ASP B 38 1.257 0.537 10.240 1.00 0.00 C ATOM 1557 O ASP B 38 2.182 -0.206 9.934 1.00 0.00 O ATOM 1558 CB ASP B 38 1.116 1.813 12.359 1.00 0.00 C ATOM 1559 CG ASP B 38 1.601 2.988 13.178 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.825 3.110 13.385 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.754 3.778 13.643 1.00 0.00 O ATOM 0 H ASP B 38 0.088 3.411 10.723 1.00 0.00 H new ATOM 0 HA ASP B 38 2.583 2.133 10.825 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.029 1.758 12.426 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.509 0.893 12.791 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.015 0.249 10.007 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.427 -1.032 9.447 1.00 0.00 C ATOM 1568 C VAL B 39 0.165 -1.229 8.054 1.00 0.00 C ATOM 1569 O VAL B 39 0.539 -2.336 7.685 1.00 0.00 O ATOM 1570 CB VAL B 39 -1.969 -1.139 9.374 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.397 -2.495 8.833 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.588 -0.892 10.743 1.00 0.00 C ATOM 0 H VAL B 39 -0.785 0.890 10.198 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.053 -1.814 10.108 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.328 -0.372 8.688 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.485 -2.543 8.792 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -1.990 -2.632 7.831 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.023 -3.282 9.488 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.673 -0.971 10.672 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.216 -1.634 11.450 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.319 0.106 11.089 1.00 0.00 H new ATOM 1582 N CYS B 40 0.279 -0.144 7.306 1.00 0.00 N ATOM 1583 CA CYS B 40 0.785 -0.197 5.943 1.00 0.00 C ATOM 1584 C CYS B 40 2.264 -0.629 5.927 1.00 0.00 C ATOM 1585 O CYS B 40 2.632 -1.610 5.275 1.00 0.00 O ATOM 1586 CB CYS B 40 0.583 1.174 5.277 1.00 0.00 C ATOM 1587 SG CYS B 40 0.359 1.119 3.489 1.00 0.00 S ATOM 0 H CYS B 40 0.026 0.792 7.623 1.00 0.00 H new ATOM 0 HA CYS B 40 0.231 -0.944 5.374 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.287 1.655 5.724 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.445 1.802 5.502 1.00 0.00 H new ATOM 0 HG CYS B 40 -0.798 1.625 3.181 1.00 0.00 H new ATOM 1593 N ARG B 41 3.108 0.101 6.646 1.00 0.00 N ATOM 1594 CA ARG B 41 4.512 -0.255 6.780 1.00 0.00 C ATOM 1595 C ARG B 41 4.707 -1.596 7.504 1.00 0.00 C ATOM 1596 O ARG B 41 5.575 -2.383 7.138 1.00 0.00 O ATOM 1597 CB ARG B 41 5.280 0.886 7.469 1.00 0.00 C ATOM 1598 CG ARG B 41 4.708 1.358 8.798 1.00 0.00 C ATOM 1599 CD ARG B 41 5.348 0.650 9.982 1.00 0.00 C ATOM 1600 NE ARG B 41 4.858 1.183 11.257 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.476 1.025 12.430 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.653 0.420 12.496 1.00 0.00 N ATOM 1603 NH2 ARG B 41 4.927 1.510 13.536 1.00 0.00 N ATOM 0 H ARG B 41 2.841 0.948 7.147 1.00 0.00 H new ATOM 0 HA ARG B 41 4.922 -0.392 5.780 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.308 0.561 7.632 1.00 0.00 H new ATOM 0 HB3 ARG B 41 5.318 1.736 6.788 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.858 2.433 8.895 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.632 1.184 8.811 1.00 0.00 H new ATOM 0 HD2 ARG B 41 5.135 -0.418 9.927 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.431 0.762 9.932 1.00 0.00 H new ATOM 0 HE ARG B 41 3.985 1.711 11.247 1.00 0.00 H new ATOM 0 HH11 ARG B 41 7.095 0.070 11.646 1.00 0.00 H new ATOM 0 HH12 ARG B 41 7.117 0.304 13.397 1.00 0.00 H new ATOM 0 HH21 ARG B 41 4.035 2.002 13.489 1.00 0.00 H new ATOM 0 HH22 ARG B 41 5.397 1.391 14.433 1.00 0.00 H new ATOM 1617 N LEU B 42 3.888 -1.883 8.506 1.00 0.00 N ATOM 1618 CA LEU B 42 3.990 -3.162 9.206 1.00 0.00 C ATOM 1619 C LEU B 42 3.591 -4.294 8.276 1.00 0.00 C ATOM 1620 O LEU B 42 4.011 -5.444 8.446 1.00 0.00 O ATOM 1621 CB LEU B 42 3.107 -3.183 10.457 1.00 0.00 C ATOM 1622 CG LEU B 42 3.525 -2.216 11.564 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.526 -2.250 12.712 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.918 -2.558 12.066 1.00 0.00 C ATOM 0 H LEU B 42 3.156 -1.261 8.850 1.00 0.00 H new ATOM 0 HA LEU B 42 5.026 -3.294 9.519 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.083 -2.953 10.163 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.103 -4.195 10.863 1.00 0.00 H new ATOM 0 HG LEU B 42 3.540 -1.207 11.151 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.842 -1.555 13.490 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.541 -1.962 12.346 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.479 -3.258 13.124 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.202 -1.861 12.854 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.923 -3.574 12.461 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.629 -2.485 11.243 1.00 0.00 H new ATOM 1636 N ALA B 43 2.797 -3.953 7.277 1.00 0.00 N ATOM 1637 CA ALA B 43 2.346 -4.918 6.303 1.00 0.00 C ATOM 1638 C ALA B 43 3.479 -5.332 5.376 1.00 0.00 C ATOM 1639 O ALA B 43 3.584 -6.502 5.027 1.00 0.00 O ATOM 1640 CB ALA B 43 1.178 -4.367 5.510 1.00 0.00 C ATOM 0 H ALA B 43 2.451 -3.006 7.122 1.00 0.00 H new ATOM 0 HA ALA B 43 2.011 -5.807 6.838 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.851 -5.108 4.781 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.355 -4.137 6.187 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.486 -3.459 4.992 1.00 0.00 H new ATOM 1646 N ILE B 44 4.336 -4.387 4.969 1.00 0.00 N ATOM 1647 CA ILE B 44 5.464 -4.747 4.111 1.00 0.00 C ATOM 1648 C ILE B 44 6.487 -5.549 4.891 1.00 0.00 C ATOM 1649 O ILE B 44 7.235 -6.328 4.316 1.00 0.00 O ATOM 1650 CB ILE B 44 6.162 -3.551 3.421 1.00 0.00 C ATOM 1651 CG1 ILE B 44 6.720 -2.554 4.431 1.00 0.00 C ATOM 1652 CG2 ILE B 44 5.209 -2.860 2.473 1.00 0.00 C ATOM 1653 CD1 ILE B 44 7.449 -1.396 3.781 1.00 0.00 C ATOM 0 H ILE B 44 4.272 -3.398 5.212 1.00 0.00 H new ATOM 0 HA ILE B 44 5.031 -5.346 3.310 1.00 0.00 H new ATOM 0 HB ILE B 44 7.004 -3.949 2.855 1.00 0.00 H new ATOM 0 HG12 ILE B 44 5.903 -2.166 5.039 1.00 0.00 H new ATOM 0 HG13 ILE B 44 7.401 -3.072 5.106 1.00 0.00 H new ATOM 0 HG21 ILE B 44 5.715 -2.021 1.996 1.00 0.00 H new ATOM 0 HG22 ILE B 44 4.878 -3.566 1.711 1.00 0.00 H new ATOM 0 HG23 ILE B 44 4.345 -2.494 3.028 1.00 0.00 H new ATOM 0 HD11 ILE B 44 7.822 -0.722 4.552 1.00 0.00 H new ATOM 0 HD12 ILE B 44 8.286 -1.776 3.195 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.764 -0.856 3.127 1.00 0.00 H new ATOM 1665 N LYS B 45 6.527 -5.354 6.201 1.00 0.00 N ATOM 1666 CA LYS B 45 7.350 -6.195 7.053 1.00 0.00 C ATOM 1667 C LYS B 45 6.899 -7.653 6.943 1.00 0.00 C ATOM 1668 O LYS B 45 7.724 -8.560 6.825 1.00 0.00 O ATOM 1669 CB LYS B 45 7.307 -5.711 8.506 1.00 0.00 C ATOM 1670 CG LYS B 45 7.960 -6.669 9.493 1.00 0.00 C ATOM 1671 CD LYS B 45 8.194 -6.014 10.845 1.00 0.00 C ATOM 1672 CE LYS B 45 9.396 -5.079 10.810 1.00 0.00 C ATOM 1673 NZ LYS B 45 10.672 -5.822 10.599 1.00 0.00 N ATOM 0 H LYS B 45 6.005 -4.628 6.692 1.00 0.00 H new ATOM 0 HA LYS B 45 8.384 -6.127 6.716 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.803 -4.743 8.571 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.268 -5.557 8.797 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.327 -7.548 9.619 1.00 0.00 H new ATOM 0 HG3 LYS B 45 8.911 -7.016 9.088 1.00 0.00 H new ATOM 0 HD2 LYS B 45 7.305 -5.455 11.139 1.00 0.00 H new ATOM 0 HD3 LYS B 45 8.352 -6.783 11.601 1.00 0.00 H new ATOM 0 HE2 LYS B 45 9.265 -4.349 10.012 1.00 0.00 H new ATOM 0 HE3 LYS B 45 9.450 -4.522 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 11.470 -5.241 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 10.648 -6.712 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 10.789 -6.031 9.587 1.00 0.00 H new ATOM 1687 N GLU B 46 5.584 -7.863 6.944 1.00 0.00 N ATOM 1688 CA GLU B 46 5.020 -9.195 6.759 1.00 0.00 C ATOM 1689 C GLU B 46 5.253 -9.636 5.321 1.00 0.00 C ATOM 1690 O GLU B 46 5.517 -10.801 5.038 1.00 0.00 O ATOM 1691 CB GLU B 46 3.514 -9.181 7.044 1.00 0.00 C ATOM 1692 CG GLU B 46 3.139 -8.653 8.419 1.00 0.00 C ATOM 1693 CD GLU B 46 3.491 -9.606 9.540 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.835 -10.661 9.652 1.00 0.00 O ATOM 1695 OE2 GLU B 46 4.395 -9.286 10.338 1.00 0.00 O ATOM 0 H GLU B 46 4.890 -7.126 7.071 1.00 0.00 H new ATOM 0 HA GLU B 46 5.504 -9.886 7.449 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.019 -8.572 6.287 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.128 -10.195 6.940 1.00 0.00 H new ATOM 0 HG2 GLU B 46 3.645 -7.702 8.587 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.068 -8.452 8.444 1.00 0.00 H new ATOM 1702 N TYR B 47 5.182 -8.665 4.424 1.00 0.00 N ATOM 1703 CA TYR B 47 5.331 -8.896 2.999 1.00 0.00 C ATOM 1704 C TYR B 47 6.718 -9.450 2.694 1.00 0.00 C ATOM 1705 O TYR B 47 6.864 -10.421 1.947 1.00 0.00 O ATOM 1706 CB TYR B 47 5.104 -7.578 2.250 1.00 0.00 C ATOM 1707 CG TYR B 47 5.046 -7.701 0.746 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.988 -8.350 0.135 1.00 0.00 C ATOM 1709 CD2 TYR B 47 6.028 -7.140 -0.062 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.904 -8.444 -1.237 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.953 -7.235 -1.441 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.885 -7.888 -2.021 1.00 0.00 C ATOM 1713 OH TYR B 47 4.791 -7.975 -3.389 1.00 0.00 O ATOM 0 H TYR B 47 5.018 -7.688 4.668 1.00 0.00 H new ATOM 0 HA TYR B 47 4.594 -9.629 2.671 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.172 -7.135 2.600 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.904 -6.886 2.512 1.00 0.00 H new ATOM 0 HD1 TYR B 47 3.213 -8.791 0.745 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.861 -6.623 0.392 1.00 0.00 H new ATOM 0 HE1 TYR B 47 3.069 -8.954 -1.695 1.00 0.00 H new ATOM 0 HE2 TYR B 47 6.725 -6.801 -2.059 1.00 0.00 H new ATOM 0 HH TYR B 47 5.563 -7.531 -3.799 1.00 0.00 H new ATOM 1723 N LEU B 48 7.724 -8.837 3.296 1.00 0.00 N ATOM 1724 CA LEU B 48 9.102 -9.269 3.131 1.00 0.00 C ATOM 1725 C LEU B 48 9.306 -10.648 3.735 1.00 0.00 C ATOM 1726 O LEU B 48 9.875 -11.527 3.104 1.00 0.00 O ATOM 1727 CB LEU B 48 10.061 -8.270 3.784 1.00 0.00 C ATOM 1728 CG LEU B 48 10.014 -6.845 3.225 1.00 0.00 C ATOM 1729 CD1 LEU B 48 11.010 -5.955 3.951 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.297 -6.846 1.731 1.00 0.00 C ATOM 0 H LEU B 48 7.610 -8.030 3.910 1.00 0.00 H new ATOM 0 HA LEU B 48 9.315 -9.317 2.063 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.844 -8.230 4.851 1.00 0.00 H new ATOM 0 HB3 LEU B 48 11.078 -8.649 3.680 1.00 0.00 H new ATOM 0 HG LEU B 48 9.012 -6.448 3.386 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.963 -4.946 3.541 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.766 -5.927 5.013 1.00 0.00 H new ATOM 0 HD13 LEU B 48 12.016 -6.353 3.820 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.259 -5.824 1.353 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.287 -7.264 1.548 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.548 -7.450 1.219 1.00 0.00 H new ATOM 1742 N ASP B 49 8.824 -10.824 4.954 1.00 0.00 N ATOM 1743 CA ASP B 49 8.993 -12.079 5.681 1.00 0.00 C ATOM 1744 C ASP B 49 8.301 -13.251 4.983 1.00 0.00 C ATOM 1745 O ASP B 49 8.826 -14.363 4.948 1.00 0.00 O ATOM 1746 CB ASP B 49 8.449 -11.924 7.097 1.00 0.00 C ATOM 1747 CG ASP B 49 8.655 -13.165 7.943 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.753 -13.320 8.519 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.718 -13.986 8.041 1.00 0.00 O ATOM 0 H ASP B 49 8.308 -10.110 5.467 1.00 0.00 H new ATOM 0 HA ASP B 49 10.059 -12.304 5.710 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.937 -11.076 7.578 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.385 -11.694 7.050 1.00 0.00 H new ATOM 1754 N ASN B 50 7.126 -12.996 4.421 1.00 0.00 N ATOM 1755 CA ASN B 50 6.309 -14.063 3.837 1.00 0.00 C ATOM 1756 C ASN B 50 6.823 -14.489 2.466 1.00 0.00 C ATOM 1757 O ASN B 50 6.743 -15.664 2.106 1.00 0.00 O ATOM 1758 CB ASN B 50 4.845 -13.627 3.726 1.00 0.00 C ATOM 1759 CG ASN B 50 4.107 -13.647 5.055 1.00 0.00 C ATOM 1760 OD1 ASN B 50 4.820 -13.420 6.147 1.00 0.00 O flip ATOM 1761 ND2 ASN B 50 2.900 -13.870 5.098 1.00 0.00 N flip ATOM 0 H ASN B 50 6.715 -12.065 4.355 1.00 0.00 H new ATOM 0 HA ASN B 50 6.381 -14.920 4.507 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.804 -12.620 3.311 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.331 -14.282 3.023 1.00 0.00 H new ATOM 0 HD21 ASN B 50 2.382 -14.041 4.236 1.00 0.00 H new ATOM 0 HD22 ASN B 50 2.416 -13.884 5.996 1.00 0.00 H new ATOM 1768 N HIS B 51 7.353 -13.543 1.706 1.00 0.00 N ATOM 1769 CA HIS B 51 7.902 -13.858 0.390 1.00 0.00 C ATOM 1770 C HIS B 51 9.368 -14.250 0.536 1.00 0.00 C ATOM 1771 O HIS B 51 9.782 -15.308 0.064 1.00 0.00 O ATOM 1772 CB HIS B 51 7.752 -12.668 -0.569 1.00 0.00 C ATOM 1773 CG HIS B 51 6.333 -12.385 -0.986 1.00 0.00 C ATOM 1774 ND1 HIS B 51 5.935 -12.334 -2.307 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.219 -12.123 -0.255 1.00 0.00 C ATOM 1776 CE1 HIS B 51 4.647 -12.051 -2.369 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.189 -11.917 -1.140 1.00 0.00 N ATOM 0 H HIS B 51 7.416 -12.560 1.971 1.00 0.00 H new ATOM 0 HA HIS B 51 7.346 -14.694 -0.034 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.163 -11.778 -0.092 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.350 -12.857 -1.461 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.155 -12.084 0.822 1.00 0.00 H new ATOM 0 HE1 HIS B 51 4.067 -11.947 -3.274 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.226 -11.696 -0.887 1.00 0.00 H new