USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 ASN :FLIP amide:sc= -12.6! C(o=-21!,f=-17!) USER MOD Set 2.2: A 42 GLN : amide:sc= -4.69! C(o=-17!,f=-18!) USER MOD Single : A 16 CYS SG : rot -24:sc= -1.9 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0296 (180deg=-0.263) USER MOD Single : A 20 HIS :FLIP no HE2:sc= 0.108 F(o=-1.2,f=0.11) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -140:sc= 0.737 (180deg=0.484) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0821 K(o=-0.082,f=-0.7) USER MOD Single : A 40 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.58) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -170:sc= 0.957 USER MOD Single : A 47 GLN : amide:sc= -0.0128 K(o=-0.013,f=-0.83) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 52 MET CE :methyl -167:sc= -0.476 (180deg=-0.746) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -1:sc= 0.641 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -101:sc= -1.35 USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= -0.165 (180deg=-1.17) USER MOD Single : A 83 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0125) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.753 6.816 5.092 1.00 0.00 N ATOM 121 CA LEU A 11 1.924 5.984 4.839 1.00 0.00 C ATOM 122 C LEU A 11 1.815 4.652 5.575 1.00 0.00 C ATOM 123 O LEU A 11 2.206 3.609 5.052 1.00 0.00 O ATOM 124 CB LEU A 11 3.197 6.715 5.270 1.00 0.00 C ATOM 125 CG LEU A 11 4.466 6.372 4.488 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.943 4.970 4.836 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.220 6.498 2.992 1.00 0.00 C ATOM 0 HA LEU A 11 1.972 5.784 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.022 7.788 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.375 6.502 6.324 1.00 0.00 H new ATOM 0 HG LEU A 11 5.246 7.080 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.847 4.742 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.158 4.913 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.166 4.248 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.133 6.250 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.425 5.814 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.925 7.521 2.757 1.00 0.00 H new ATOM 139 N ARG A 12 1.281 4.696 6.790 1.00 0.00 N ATOM 140 CA ARG A 12 1.120 3.493 7.598 1.00 0.00 C ATOM 141 C ARG A 12 0.513 2.362 6.773 1.00 0.00 C ATOM 142 O ARG A 12 0.710 1.185 7.076 1.00 0.00 O ATOM 143 CB ARG A 12 0.236 3.783 8.813 1.00 0.00 C ATOM 144 CG ARG A 12 0.509 2.870 9.997 1.00 0.00 C ATOM 145 CD ARG A 12 -0.639 2.891 10.994 1.00 0.00 C ATOM 146 NE ARG A 12 -0.443 1.930 12.075 1.00 0.00 N ATOM 147 CZ ARG A 12 0.408 2.116 13.079 1.00 0.00 C ATOM 148 NH1 ARG A 12 1.137 3.222 13.137 1.00 0.00 N ATOM 149 NH2 ARG A 12 0.530 1.195 14.026 1.00 0.00 N ATOM 0 H ARG A 12 0.952 5.552 7.237 1.00 0.00 H new ATOM 0 HA ARG A 12 2.107 3.181 7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.385 4.818 9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.810 3.684 8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.666 1.851 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.429 3.181 10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.737 3.893 11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.572 2.669 10.477 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.989 1.069 12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.045 3.932 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.789 3.363 13.908 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.030 0.343 13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.183 1.339 14.796 1.00 0.00 H new ATOM 163 N GLY A 13 -0.224 2.727 5.729 1.00 0.00 N ATOM 164 CA GLY A 13 -0.849 1.731 4.877 1.00 0.00 C ATOM 165 C GLY A 13 0.057 0.545 4.612 1.00 0.00 C ATOM 166 O GLY A 13 -0.416 -0.556 4.331 1.00 0.00 O ATOM 0 H GLY A 13 -0.400 3.694 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.770 1.383 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.127 2.191 3.929 1.00 0.00 H new ATOM 170 N LEU A 14 1.364 0.769 4.701 1.00 0.00 N ATOM 171 CA LEU A 14 2.340 -0.290 4.466 1.00 0.00 C ATOM 172 C LEU A 14 2.653 -1.037 5.759 1.00 0.00 C ATOM 173 O LEU A 14 2.404 -2.237 5.870 1.00 0.00 O ATOM 174 CB LEU A 14 3.625 0.294 3.877 1.00 0.00 C ATOM 175 CG LEU A 14 3.458 1.149 2.619 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.720 1.954 2.350 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.116 0.274 1.422 1.00 0.00 C ATOM 0 H LEU A 14 1.772 1.674 4.934 1.00 0.00 H new ATOM 0 HA LEU A 14 1.910 -0.995 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.109 0.900 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.302 -0.529 3.646 1.00 0.00 H new ATOM 0 HG LEU A 14 2.635 1.845 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.583 2.556 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.922 2.608 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.561 1.275 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.001 0.898 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.917 -0.446 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.184 -0.258 1.615 1.00 0.00 H new ATOM 189 N GLU A 15 3.198 -0.317 6.735 1.00 0.00 N ATOM 190 CA GLU A 15 3.545 -0.912 8.021 1.00 0.00 C ATOM 191 C GLU A 15 2.388 -1.745 8.563 1.00 0.00 C ATOM 192 O GLU A 15 2.591 -2.838 9.092 1.00 0.00 O ATOM 193 CB GLU A 15 3.918 0.177 9.028 1.00 0.00 C ATOM 194 CG GLU A 15 5.395 0.537 9.015 1.00 0.00 C ATOM 195 CD GLU A 15 6.272 -0.580 9.549 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.778 -1.381 10.370 1.00 0.00 O ATOM 197 OE2 GLU A 15 7.451 -0.651 9.146 1.00 0.00 O ATOM 0 H GLU A 15 3.409 0.678 6.660 1.00 0.00 H new ATOM 0 HA GLU A 15 4.403 -1.566 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.333 1.072 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.642 -0.155 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.698 0.776 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.552 1.435 9.613 1.00 0.00 H new ATOM 204 N CYS A 16 1.174 -1.222 8.427 1.00 0.00 N ATOM 205 CA CYS A 16 -0.017 -1.917 8.905 1.00 0.00 C ATOM 206 C CYS A 16 0.013 -3.387 8.501 1.00 0.00 C ATOM 207 O CYS A 16 -0.078 -4.276 9.348 1.00 0.00 O ATOM 208 CB CYS A 16 -1.276 -1.248 8.353 1.00 0.00 C ATOM 209 SG CYS A 16 -2.813 -1.847 9.095 1.00 0.00 S ATOM 0 H CYS A 16 0.988 -0.319 7.990 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.031 -1.860 9.993 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.203 -0.172 8.512 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.318 -1.409 7.276 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.627 -3.041 9.573 1.00 0.00 H new ATOM 215 N ILE A 17 0.140 -3.635 7.201 1.00 0.00 N ATOM 216 CA ILE A 17 0.181 -4.998 6.685 1.00 0.00 C ATOM 217 C ILE A 17 1.492 -5.685 7.050 1.00 0.00 C ATOM 218 O ILE A 17 2.549 -5.056 7.072 1.00 0.00 O ATOM 219 CB ILE A 17 0.009 -5.026 5.155 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.984 -4.049 4.492 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.426 -4.690 4.777 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.092 -4.228 2.994 1.00 0.00 C ATOM 0 H ILE A 17 0.216 -2.911 6.487 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.648 -5.535 7.146 1.00 0.00 H new ATOM 0 HB ILE A 17 0.232 -6.031 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.665 -3.029 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.971 -4.175 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.532 -4.714 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.100 -5.421 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.675 -3.694 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.799 -3.503 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.440 -5.237 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.114 -4.073 2.538 1.00 0.00 H new ATOM 234 N ASN A 18 1.416 -6.981 7.337 1.00 0.00 N ATOM 235 CA ASN A 18 2.596 -7.755 7.700 1.00 0.00 C ATOM 236 C ASN A 18 3.476 -8.010 6.480 1.00 0.00 C ATOM 237 O ASN A 18 2.993 -8.039 5.348 1.00 0.00 O ATOM 238 CB ASN A 18 2.186 -9.085 8.334 1.00 0.00 C ATOM 239 CG ASN A 18 1.574 -8.905 9.710 1.00 0.00 C ATOM 240 OD1 ASN A 18 2.285 -8.713 10.697 1.00 0.00 O ATOM 241 ND2 ASN A 18 0.249 -8.967 9.782 1.00 0.00 N ATOM 0 H ASN A 18 0.548 -7.517 7.325 1.00 0.00 H new ATOM 0 HA ASN A 18 3.169 -7.177 8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.471 -9.589 7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.059 -9.733 8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.219 -8.854 10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.301 -9.128 8.938 1.00 0.00 H new ATOM 248 N LYS A 19 4.770 -8.198 6.718 1.00 0.00 N ATOM 249 CA LYS A 19 5.717 -8.454 5.641 1.00 0.00 C ATOM 250 C LYS A 19 5.126 -9.413 4.612 1.00 0.00 C ATOM 251 O LYS A 19 5.409 -9.309 3.417 1.00 0.00 O ATOM 252 CB LYS A 19 7.018 -9.031 6.204 1.00 0.00 C ATOM 253 CG LYS A 19 7.802 -8.047 7.054 1.00 0.00 C ATOM 254 CD LYS A 19 8.492 -6.998 6.197 1.00 0.00 C ATOM 255 CE LYS A 19 9.742 -7.555 5.531 1.00 0.00 C ATOM 256 NZ LYS A 19 10.824 -7.822 6.517 1.00 0.00 N ATOM 0 H LYS A 19 5.186 -8.178 7.649 1.00 0.00 H new ATOM 0 HA LYS A 19 5.931 -7.506 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.786 -9.911 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.645 -9.365 5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.130 -7.558 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.546 -8.584 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.802 -6.639 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.759 -6.140 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.493 -8.477 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.100 -6.849 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.734 -7.903 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.871 -7.040 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.624 -8.710 7.020 1.00 0.00 H new ATOM 270 N HIS A 20 4.305 -10.345 5.083 1.00 0.00 N ATOM 271 CA HIS A 20 3.672 -11.322 4.204 1.00 0.00 C ATOM 272 C HIS A 20 3.028 -10.635 3.002 1.00 0.00 C ATOM 273 O HIS A 20 3.398 -10.891 1.856 1.00 0.00 O ATOM 274 CB HIS A 20 2.620 -12.124 4.970 1.00 0.00 C ATOM 275 CG HIS A 20 1.658 -12.852 4.083 1.00 0.00 C ATOM 276 ND1 HIS A 20 0.516 -12.436 3.486 1.00 0.00 N flip ATOM 277 CD2 HIS A 20 1.819 -14.173 3.720 1.00 0.00 C flip ATOM 278 CE1 HIS A 20 0.014 -13.502 2.780 1.00 0.00 C flip ATOM 279 NE2 HIS A 20 0.819 -14.537 2.937 1.00 0.00 N flip ATOM 0 H HIS A 20 4.062 -10.445 6.069 1.00 0.00 H new ATOM 0 HA HIS A 20 4.444 -12.001 3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.123 -12.844 5.615 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.063 -11.449 5.620 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.105 -11.505 3.549 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.635 -14.810 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.892 -13.495 2.192 1.00 0.00 H new ATOM 288 N TYR A 21 2.064 -9.762 3.274 1.00 0.00 N ATOM 289 CA TYR A 21 1.367 -9.041 2.216 1.00 0.00 C ATOM 290 C TYR A 21 2.288 -8.020 1.553 1.00 0.00 C ATOM 291 O TYR A 21 2.339 -7.915 0.328 1.00 0.00 O ATOM 292 CB TYR A 21 0.131 -8.338 2.778 1.00 0.00 C ATOM 293 CG TYR A 21 -1.047 -9.262 2.993 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.510 -10.079 1.969 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.695 -9.319 4.220 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.585 -10.925 2.160 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.770 -10.163 4.421 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.212 -10.963 3.388 1.00 0.00 C ATOM 299 OH TYR A 21 -4.282 -11.804 3.584 1.00 0.00 O ATOM 0 H TYR A 21 1.748 -9.537 4.217 1.00 0.00 H new ATOM 0 HA TYR A 21 1.055 -9.765 1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.391 -7.868 3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.164 -7.540 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.021 -10.052 1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.353 -8.693 5.031 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.932 -11.553 1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.262 -10.196 5.382 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.608 -11.710 4.504 1.00 0.00 H new ATOM 309 N PHE A 22 3.018 -7.271 2.373 1.00 0.00 N ATOM 310 CA PHE A 22 3.938 -6.258 1.869 1.00 0.00 C ATOM 311 C PHE A 22 4.776 -6.810 0.719 1.00 0.00 C ATOM 312 O PHE A 22 4.998 -6.130 -0.284 1.00 0.00 O ATOM 313 CB PHE A 22 4.854 -5.767 2.992 1.00 0.00 C ATOM 314 CG PHE A 22 5.767 -4.650 2.575 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.261 -3.515 1.962 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.133 -4.735 2.793 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.099 -2.485 1.577 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.975 -3.709 2.411 1.00 0.00 C ATOM 319 CZ PHE A 22 7.457 -2.583 1.801 1.00 0.00 C ATOM 0 H PHE A 22 2.990 -7.347 3.390 1.00 0.00 H new ATOM 0 HA PHE A 22 3.349 -5.420 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.242 -5.432 3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.455 -6.602 3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.199 -3.434 1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.544 -5.614 3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.691 -1.605 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.037 -3.787 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.114 -1.780 1.500 1.00 0.00 H new ATOM 329 N SER A 23 5.240 -8.046 0.872 1.00 0.00 N ATOM 330 CA SER A 23 6.057 -8.689 -0.151 1.00 0.00 C ATOM 331 C SER A 23 5.334 -8.701 -1.494 1.00 0.00 C ATOM 332 O SER A 23 5.952 -8.538 -2.547 1.00 0.00 O ATOM 333 CB SER A 23 6.406 -10.118 0.268 1.00 0.00 C ATOM 334 OG SER A 23 7.465 -10.636 -0.518 1.00 0.00 O ATOM 0 H SER A 23 5.064 -8.623 1.695 1.00 0.00 H new ATOM 0 HA SER A 23 6.978 -8.116 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.689 -10.133 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.528 -10.755 0.165 1.00 0.00 H new ATOM 0 HG SER A 23 7.670 -11.550 -0.229 1.00 0.00 H new ATOM 340 N LEU A 24 4.021 -8.897 -1.451 1.00 0.00 N ATOM 341 CA LEU A 24 3.212 -8.932 -2.664 1.00 0.00 C ATOM 342 C LEU A 24 3.162 -7.559 -3.325 1.00 0.00 C ATOM 343 O LEU A 24 3.348 -7.434 -4.535 1.00 0.00 O ATOM 344 CB LEU A 24 1.794 -9.407 -2.341 1.00 0.00 C ATOM 345 CG LEU A 24 1.622 -10.911 -2.127 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.836 -11.271 -0.666 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.245 -11.363 -2.594 1.00 0.00 C ATOM 0 H LEU A 24 3.494 -9.034 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 24 3.674 -9.633 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.456 -8.891 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.135 -9.098 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 24 2.374 -11.431 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.709 -12.346 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.844 -10.985 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.109 -10.741 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.141 -12.436 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.523 -10.835 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.130 -11.142 -3.655 1.00 0.00 H new ATOM 359 N PHE A 25 2.912 -6.530 -2.522 1.00 0.00 N ATOM 360 CA PHE A 25 2.840 -5.165 -3.029 1.00 0.00 C ATOM 361 C PHE A 25 4.095 -4.811 -3.823 1.00 0.00 C ATOM 362 O PHE A 25 4.015 -4.240 -4.910 1.00 0.00 O ATOM 363 CB PHE A 25 2.660 -4.177 -1.873 1.00 0.00 C ATOM 364 CG PHE A 25 2.149 -2.834 -2.306 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.021 -2.731 -3.105 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.797 -1.673 -1.916 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.549 -1.495 -3.506 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.328 -0.435 -2.313 1.00 0.00 C ATOM 369 CZ PHE A 25 1.203 -0.346 -3.109 1.00 0.00 C ATOM 0 H PHE A 25 2.756 -6.616 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 25 1.979 -5.097 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.968 -4.603 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.616 -4.047 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.505 -3.627 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.678 -1.736 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.331 -1.428 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.841 0.463 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.836 0.621 -3.420 1.00 0.00 H new ATOM 379 N LYS A 26 5.253 -5.155 -3.271 1.00 0.00 N ATOM 380 CA LYS A 26 6.526 -4.877 -3.925 1.00 0.00 C ATOM 381 C LYS A 26 6.576 -5.513 -5.310 1.00 0.00 C ATOM 382 O LYS A 26 7.155 -4.953 -6.241 1.00 0.00 O ATOM 383 CB LYS A 26 7.686 -5.394 -3.071 1.00 0.00 C ATOM 384 CG LYS A 26 8.156 -4.405 -2.019 1.00 0.00 C ATOM 385 CD LYS A 26 9.299 -4.971 -1.193 1.00 0.00 C ATOM 386 CE LYS A 26 8.798 -5.958 -0.150 1.00 0.00 C ATOM 387 NZ LYS A 26 9.722 -6.052 1.014 1.00 0.00 N ATOM 0 H LYS A 26 5.336 -5.628 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 26 6.620 -3.797 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.380 -6.317 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.523 -5.643 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.478 -3.483 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.324 -4.148 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.014 -5.466 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.830 -4.157 -0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.810 -5.652 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.686 -6.942 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.799 -7.044 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.662 -5.700 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.352 -5.478 1.798 1.00 0.00 H new ATOM 401 N SER A 27 5.965 -6.686 -5.439 1.00 0.00 N ATOM 402 CA SER A 27 5.942 -7.401 -6.711 1.00 0.00 C ATOM 403 C SER A 27 5.055 -6.681 -7.722 1.00 0.00 C ATOM 404 O SER A 27 5.344 -6.665 -8.920 1.00 0.00 O ATOM 405 CB SER A 27 5.445 -8.833 -6.507 1.00 0.00 C ATOM 406 OG SER A 27 5.504 -9.570 -7.716 1.00 0.00 O ATOM 0 H SER A 27 5.479 -7.162 -4.679 1.00 0.00 H new ATOM 0 HA SER A 27 6.959 -7.430 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.050 -9.327 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.420 -8.816 -6.137 1.00 0.00 H new ATOM 0 HG SER A 27 5.183 -10.482 -7.559 1.00 0.00 H new ATOM 412 N LEU A 28 3.973 -6.087 -7.232 1.00 0.00 N ATOM 413 CA LEU A 28 3.040 -5.364 -8.091 1.00 0.00 C ATOM 414 C LEU A 28 3.626 -4.025 -8.526 1.00 0.00 C ATOM 415 O LEU A 28 3.258 -3.482 -9.568 1.00 0.00 O ATOM 416 CB LEU A 28 1.712 -5.142 -7.365 1.00 0.00 C ATOM 417 CG LEU A 28 1.100 -6.373 -6.696 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.170 -5.959 -5.565 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.354 -7.219 -7.718 1.00 0.00 C ATOM 0 H LEU A 28 3.719 -6.091 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 28 2.862 -5.968 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.860 -4.376 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.991 -4.746 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 28 1.907 -6.973 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.256 -6.848 -5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.731 -5.394 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.632 -5.337 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.075 -8.091 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.443 -6.627 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.046 -7.545 -8.495 1.00 0.00 H new ATOM 431 N LEU A 29 4.540 -3.496 -7.720 1.00 0.00 N ATOM 432 CA LEU A 29 5.180 -2.220 -8.022 1.00 0.00 C ATOM 433 C LEU A 29 6.561 -2.434 -8.635 1.00 0.00 C ATOM 434 O LEU A 29 7.090 -1.558 -9.317 1.00 0.00 O ATOM 435 CB LEU A 29 5.299 -1.374 -6.752 1.00 0.00 C ATOM 436 CG LEU A 29 4.083 -0.516 -6.401 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.731 0.407 -7.556 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.896 -1.397 -6.039 1.00 0.00 C ATOM 0 H LEU A 29 4.855 -3.931 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 29 4.559 -1.693 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.503 -2.040 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.164 -0.718 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 29 4.332 0.098 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.863 1.010 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.576 1.062 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.501 -0.188 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.039 -0.770 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.646 -2.036 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.152 -2.017 -5.180 1.00 0.00 H new ATOM 450 N ALA A 30 7.137 -3.607 -8.388 1.00 0.00 N ATOM 451 CA ALA A 30 8.453 -3.937 -8.920 1.00 0.00 C ATOM 452 C ALA A 30 8.665 -3.309 -10.292 1.00 0.00 C ATOM 453 O ALA A 30 9.668 -2.636 -10.530 1.00 0.00 O ATOM 454 CB ALA A 30 8.627 -5.447 -8.994 1.00 0.00 C ATOM 0 H ALA A 30 6.713 -4.343 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 30 9.204 -3.528 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.614 -5.680 -9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.529 -5.874 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.863 -5.870 -9.646 1.00 0.00 H new ATOM 460 N ARG A 31 7.714 -3.534 -11.193 1.00 0.00 N ATOM 461 CA ARG A 31 7.798 -2.991 -12.544 1.00 0.00 C ATOM 462 C ARG A 31 7.830 -1.466 -12.516 1.00 0.00 C ATOM 463 O ARG A 31 8.703 -0.842 -13.119 1.00 0.00 O ATOM 464 CB ARG A 31 6.613 -3.471 -13.385 1.00 0.00 C ATOM 465 CG ARG A 31 5.356 -3.735 -12.570 1.00 0.00 C ATOM 466 CD ARG A 31 5.290 -5.179 -12.101 1.00 0.00 C ATOM 467 NE ARG A 31 4.600 -6.036 -13.061 1.00 0.00 N ATOM 468 CZ ARG A 31 3.280 -6.179 -13.104 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.511 -5.526 -12.245 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.727 -6.978 -14.008 1.00 0.00 N ATOM 0 H ARG A 31 6.877 -4.088 -11.012 1.00 0.00 H new ATOM 0 HA ARG A 31 8.724 -3.349 -12.995 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.392 -2.723 -14.147 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.896 -4.385 -13.908 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.334 -3.070 -11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.476 -3.506 -13.171 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.301 -5.555 -11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.777 -5.225 -11.140 1.00 0.00 H new ATOM 0 HE ARG A 31 5.163 -6.554 -13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.932 -4.912 -11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.498 -5.638 -12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.316 -7.483 -14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.713 -7.087 -14.040 1.00 0.00 H new ATOM 484 N ASP A 32 6.872 -0.872 -11.813 1.00 0.00 N ATOM 485 CA ASP A 32 6.791 0.580 -11.706 1.00 0.00 C ATOM 486 C ASP A 32 8.040 1.147 -11.039 1.00 0.00 C ATOM 487 O ASP A 32 8.790 1.911 -11.650 1.00 0.00 O ATOM 488 CB ASP A 32 5.546 0.985 -10.913 1.00 0.00 C ATOM 489 CG ASP A 32 4.292 0.982 -11.765 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.179 0.111 -12.651 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.423 1.852 -11.544 1.00 0.00 O ATOM 0 H ASP A 32 6.141 -1.374 -11.309 1.00 0.00 H new ATOM 0 HA ASP A 32 6.721 0.990 -12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.414 0.301 -10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.694 1.980 -10.493 1.00 0.00 H new ATOM 496 N LEU A 33 8.259 0.768 -9.785 1.00 0.00 N ATOM 497 CA LEU A 33 9.418 1.239 -9.034 1.00 0.00 C ATOM 498 C LEU A 33 10.692 0.551 -9.513 1.00 0.00 C ATOM 499 O LEU A 33 11.769 0.761 -8.956 1.00 0.00 O ATOM 500 CB LEU A 33 9.218 0.987 -7.540 1.00 0.00 C ATOM 501 CG LEU A 33 7.901 1.485 -6.944 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.690 0.905 -5.554 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.879 3.006 -6.899 1.00 0.00 C ATOM 0 H LEU A 33 7.649 0.136 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 33 9.521 2.311 -9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.292 -0.085 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.039 1.458 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 33 7.084 1.148 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.748 1.271 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.661 -0.183 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.510 1.211 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.935 3.344 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.704 3.364 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.982 3.401 -7.909 1.00 0.00 H new ATOM 515 N ASN A 34 10.562 -0.270 -10.550 1.00 0.00 N ATOM 516 CA ASN A 34 11.704 -0.988 -11.104 1.00 0.00 C ATOM 517 C ASN A 34 12.574 -1.568 -9.993 1.00 0.00 C ATOM 518 O ASN A 34 13.802 -1.468 -10.033 1.00 0.00 O ATOM 519 CB ASN A 34 12.538 -0.057 -11.987 1.00 0.00 C ATOM 520 CG ASN A 34 13.251 -0.801 -13.099 1.00 0.00 C ATOM 521 OD1 ASN A 34 12.680 -1.691 -13.732 1.00 0.00 O ATOM 522 ND2 ASN A 34 14.505 -0.441 -13.344 1.00 0.00 N ATOM 0 H ASN A 34 9.678 -0.455 -11.023 1.00 0.00 H new ATOM 0 HA ASN A 34 11.325 -1.811 -11.710 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.890 0.705 -12.420 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.273 0.462 -11.371 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.035 -0.907 -14.081 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.939 0.301 -12.795 1.00 0.00 H new ATOM 529 N LEU A 35 11.931 -2.174 -9.001 1.00 0.00 N ATOM 530 CA LEU A 35 12.646 -2.770 -7.878 1.00 0.00 C ATOM 531 C LEU A 35 13.492 -3.953 -8.337 1.00 0.00 C ATOM 532 O LEU A 35 13.425 -4.364 -9.495 1.00 0.00 O ATOM 533 CB LEU A 35 11.658 -3.224 -6.802 1.00 0.00 C ATOM 534 CG LEU A 35 10.551 -2.231 -6.446 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.520 -2.883 -5.537 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.137 -0.990 -5.789 1.00 0.00 C ATOM 0 H LEU A 35 10.916 -2.266 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 35 13.309 -2.013 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.193 -4.153 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.218 -3.453 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 35 10.052 -1.928 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.740 -2.161 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.076 -3.739 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.004 -3.217 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.334 -0.295 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.663 -1.275 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.835 -0.510 -6.475 1.00 0.00 H new ATOM 548 N GLU A 36 14.287 -4.498 -7.421 1.00 0.00 N ATOM 549 CA GLU A 36 15.145 -5.634 -7.733 1.00 0.00 C ATOM 550 C GLU A 36 14.674 -6.888 -7.002 1.00 0.00 C ATOM 551 O GLU A 36 14.821 -7.002 -5.785 1.00 0.00 O ATOM 552 CB GLU A 36 16.595 -5.326 -7.357 1.00 0.00 C ATOM 553 CG GLU A 36 17.400 -4.710 -8.489 1.00 0.00 C ATOM 554 CD GLU A 36 18.117 -5.751 -9.328 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.951 -6.493 -8.768 1.00 0.00 O ATOM 556 OE2 GLU A 36 17.843 -5.824 -10.544 1.00 0.00 O ATOM 0 H GLU A 36 14.354 -4.171 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 36 15.087 -5.816 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.604 -4.647 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.082 -6.247 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.735 -4.128 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.131 -4.016 -8.074 1.00 0.00 H new ATOM 563 N ARG A 37 14.106 -7.827 -7.754 1.00 0.00 N ATOM 564 CA ARG A 37 13.612 -9.071 -7.178 1.00 0.00 C ATOM 565 C ARG A 37 14.513 -9.539 -6.039 1.00 0.00 C ATOM 566 O ARG A 37 14.032 -10.003 -5.005 1.00 0.00 O ATOM 567 CB ARG A 37 13.526 -10.157 -8.253 1.00 0.00 C ATOM 568 CG ARG A 37 12.321 -10.013 -9.168 1.00 0.00 C ATOM 569 CD ARG A 37 12.179 -11.211 -10.094 1.00 0.00 C ATOM 570 NE ARG A 37 11.091 -11.037 -11.052 1.00 0.00 N ATOM 571 CZ ARG A 37 10.549 -12.037 -11.738 1.00 0.00 C ATOM 572 NH1 ARG A 37 10.990 -13.276 -11.572 1.00 0.00 N ATOM 573 NH2 ARG A 37 9.561 -11.798 -12.592 1.00 0.00 N ATOM 0 H ARG A 37 13.977 -7.749 -8.763 1.00 0.00 H new ATOM 0 HA ARG A 37 12.615 -8.885 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.434 -10.133 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.490 -11.133 -7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.417 -9.907 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.419 -9.103 -9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.114 -11.366 -10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.000 -12.108 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 37 10.727 -10.096 -11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.748 -13.464 -10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.571 -14.041 -12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.218 -10.846 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.145 -12.566 -13.119 1.00 0.00 H new ATOM 587 N ASP A 38 15.820 -9.414 -6.236 1.00 0.00 N ATOM 588 CA ASP A 38 16.789 -9.823 -5.225 1.00 0.00 C ATOM 589 C ASP A 38 16.763 -8.874 -4.031 1.00 0.00 C ATOM 590 O ASP A 38 16.806 -9.306 -2.881 1.00 0.00 O ATOM 591 CB ASP A 38 18.195 -9.870 -5.825 1.00 0.00 C ATOM 592 CG ASP A 38 18.518 -11.218 -6.439 1.00 0.00 C ATOM 593 OD1 ASP A 38 18.083 -11.469 -7.581 1.00 0.00 O ATOM 594 OD2 ASP A 38 19.206 -12.023 -5.776 1.00 0.00 O ATOM 0 H ASP A 38 16.234 -9.033 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 38 16.517 -10.820 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.288 -9.096 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.926 -9.643 -5.049 1.00 0.00 H new ATOM 599 N ASN A 39 16.692 -7.578 -4.315 1.00 0.00 N ATOM 600 CA ASN A 39 16.662 -6.566 -3.265 1.00 0.00 C ATOM 601 C ASN A 39 15.226 -6.237 -2.868 1.00 0.00 C ATOM 602 O ASN A 39 14.983 -5.317 -2.087 1.00 0.00 O ATOM 603 CB ASN A 39 17.378 -5.296 -3.729 1.00 0.00 C ATOM 604 CG ASN A 39 17.491 -4.261 -2.627 1.00 0.00 C ATOM 605 OD1 ASN A 39 18.655 -4.200 -1.991 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 16.545 -3.524 -2.352 1.00 0.00 N flip ATOM 0 H ASN A 39 16.654 -7.204 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 39 17.179 -6.968 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.375 -5.554 -4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 39 16.839 -4.866 -4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 39 15.668 -3.606 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 39 16.637 -2.831 -1.609 1.00 0.00 H new ATOM 613 N GLN A 40 14.279 -6.995 -3.411 1.00 0.00 N ATOM 614 CA GLN A 40 12.867 -6.783 -3.113 1.00 0.00 C ATOM 615 C GLN A 40 12.523 -7.288 -1.716 1.00 0.00 C ATOM 616 O GLN A 40 11.475 -6.954 -1.166 1.00 0.00 O ATOM 617 CB GLN A 40 11.993 -7.488 -4.153 1.00 0.00 C ATOM 618 CG GLN A 40 11.690 -6.634 -5.373 1.00 0.00 C ATOM 619 CD GLN A 40 10.518 -7.161 -6.177 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.458 -7.464 -5.626 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.702 -7.275 -7.487 1.00 0.00 N ATOM 0 H GLN A 40 14.463 -7.761 -4.059 1.00 0.00 H new ATOM 0 HA GLN A 40 12.671 -5.711 -3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.492 -8.402 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.054 -7.785 -3.685 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.477 -5.614 -5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.573 -6.591 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.596 -7.012 -7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.949 -7.625 -8.079 1.00 0.00 H new ATOM 630 N GLU A 41 13.414 -8.095 -1.148 1.00 0.00 N ATOM 631 CA GLU A 41 13.204 -8.647 0.185 1.00 0.00 C ATOM 632 C GLU A 41 13.881 -7.783 1.245 1.00 0.00 C ATOM 633 O GLU A 41 13.238 -7.328 2.191 1.00 0.00 O ATOM 634 CB GLU A 41 13.740 -10.078 0.260 1.00 0.00 C ATOM 635 CG GLU A 41 15.228 -10.186 -0.026 1.00 0.00 C ATOM 636 CD GLU A 41 15.639 -11.577 -0.467 1.00 0.00 C ATOM 637 OE1 GLU A 41 15.268 -11.975 -1.592 1.00 0.00 O ATOM 638 OE2 GLU A 41 16.331 -12.267 0.309 1.00 0.00 O ATOM 0 H GLU A 41 14.288 -8.381 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 41 12.132 -8.658 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.539 -10.481 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.196 -10.699 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.498 -9.469 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.787 -9.913 0.869 1.00 0.00 H new ATOM 645 N GLN A 42 15.180 -7.561 1.078 1.00 0.00 N ATOM 646 CA GLN A 42 15.944 -6.752 2.021 1.00 0.00 C ATOM 647 C GLN A 42 15.302 -5.383 2.208 1.00 0.00 C ATOM 648 O GLN A 42 15.246 -4.859 3.320 1.00 0.00 O ATOM 649 CB GLN A 42 17.386 -6.591 1.536 1.00 0.00 C ATOM 650 CG GLN A 42 17.494 -6.135 0.089 1.00 0.00 C ATOM 651 CD GLN A 42 18.844 -6.451 -0.523 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.789 -5.670 -0.408 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.942 -7.602 -1.179 1.00 0.00 N ATOM 0 H GLN A 42 15.726 -7.929 0.299 1.00 0.00 H new ATOM 0 HA GLN A 42 15.947 -7.266 2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.897 -5.870 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.907 -7.542 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.712 -6.615 -0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.318 -5.061 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.133 -8.219 -1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.826 -7.869 -1.612 1.00 0.00 H new ATOM 662 N TYR A 43 14.819 -4.807 1.112 1.00 0.00 N ATOM 663 CA TYR A 43 14.182 -3.496 1.156 1.00 0.00 C ATOM 664 C TYR A 43 13.329 -3.344 2.410 1.00 0.00 C ATOM 665 O TYR A 43 12.928 -4.333 3.026 1.00 0.00 O ATOM 666 CB TYR A 43 13.320 -3.283 -0.089 1.00 0.00 C ATOM 667 CG TYR A 43 14.052 -2.601 -1.224 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.873 -1.505 -0.989 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.923 -3.054 -2.532 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.543 -0.880 -2.022 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.591 -2.435 -3.571 1.00 0.00 C ATOM 672 CZ TYR A 43 15.399 -1.348 -3.310 1.00 0.00 C ATOM 673 OH TYR A 43 16.065 -0.728 -4.343 1.00 0.00 O ATOM 0 H TYR A 43 14.857 -5.227 0.183 1.00 0.00 H new ATOM 0 HA TYR A 43 14.968 -2.741 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.951 -4.249 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.449 -2.686 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.989 -1.135 0.019 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.290 -3.904 -2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.177 -0.029 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.481 -2.800 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 43 15.856 -1.182 -5.186 1.00 0.00 H new ATOM 683 N THR A 44 13.054 -2.099 2.786 1.00 0.00 N ATOM 684 CA THR A 44 12.249 -1.816 3.967 1.00 0.00 C ATOM 685 C THR A 44 11.003 -1.016 3.604 1.00 0.00 C ATOM 686 O THR A 44 10.995 -0.267 2.627 1.00 0.00 O ATOM 687 CB THR A 44 13.055 -1.040 5.024 1.00 0.00 C ATOM 688 OG1 THR A 44 13.622 0.138 4.439 1.00 0.00 O ATOM 689 CG2 THR A 44 14.161 -1.906 5.605 1.00 0.00 C ATOM 0 H THR A 44 13.378 -1.270 2.288 1.00 0.00 H new ATOM 0 HA THR A 44 11.951 -2.778 4.384 1.00 0.00 H new ATOM 0 HB THR A 44 12.378 -0.756 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.132 0.627 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.717 -1.336 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.724 -2.787 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.836 -2.217 4.808 1.00 0.00 H new ATOM 697 N THR A 45 9.949 -1.177 4.399 1.00 0.00 N ATOM 698 CA THR A 45 8.697 -0.470 4.162 1.00 0.00 C ATOM 699 C THR A 45 8.948 1.002 3.850 1.00 0.00 C ATOM 700 O THR A 45 8.175 1.633 3.128 1.00 0.00 O ATOM 701 CB THR A 45 7.756 -0.571 5.376 1.00 0.00 C ATOM 702 OG1 THR A 45 8.470 -0.260 6.578 1.00 0.00 O ATOM 703 CG2 THR A 45 7.158 -1.966 5.483 1.00 0.00 C ATOM 0 H THR A 45 9.938 -1.791 5.213 1.00 0.00 H new ATOM 0 HA THR A 45 8.223 -0.946 3.304 1.00 0.00 H new ATOM 0 HB THR A 45 6.946 0.145 5.239 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.914 -0.479 7.355 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.497 -2.013 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.590 -2.189 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.958 -2.697 5.598 1.00 0.00 H new ATOM 711 N ILE A 46 10.033 1.542 4.396 1.00 0.00 N ATOM 712 CA ILE A 46 10.385 2.938 4.173 1.00 0.00 C ATOM 713 C ILE A 46 10.885 3.158 2.750 1.00 0.00 C ATOM 714 O ILE A 46 10.249 3.855 1.960 1.00 0.00 O ATOM 715 CB ILE A 46 11.466 3.411 5.164 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.868 3.575 6.563 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.084 4.717 4.690 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.675 4.505 6.605 1.00 0.00 C ATOM 0 H ILE A 46 10.683 1.033 4.996 1.00 0.00 H new ATOM 0 HA ILE A 46 9.478 3.522 4.331 1.00 0.00 H new ATOM 0 HB ILE A 46 12.251 2.656 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.569 2.596 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.637 3.953 7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.846 5.038 5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.540 4.570 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.310 5.481 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.303 4.574 7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.973 5.495 6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.888 4.117 5.958 1.00 0.00 H new ATOM 730 N GLN A 47 12.027 2.557 2.431 1.00 0.00 N ATOM 731 CA GLN A 47 12.613 2.688 1.101 1.00 0.00 C ATOM 732 C GLN A 47 11.536 2.610 0.023 1.00 0.00 C ATOM 733 O GLN A 47 11.432 3.495 -0.828 1.00 0.00 O ATOM 734 CB GLN A 47 13.659 1.596 0.873 1.00 0.00 C ATOM 735 CG GLN A 47 14.897 1.749 1.742 1.00 0.00 C ATOM 736 CD GLN A 47 15.973 2.589 1.082 1.00 0.00 C ATOM 737 OE1 GLN A 47 15.701 3.347 0.150 1.00 0.00 O ATOM 738 NE2 GLN A 47 17.203 2.462 1.565 1.00 0.00 N ATOM 0 H GLN A 47 12.564 1.975 3.074 1.00 0.00 H new ATOM 0 HA GLN A 47 13.096 3.663 1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.206 0.624 1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.958 1.604 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.616 2.206 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.300 0.762 1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.384 1.822 2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.967 3.004 1.163 1.00 0.00 H new ATOM 747 N ILE A 48 10.740 1.547 0.064 1.00 0.00 N ATOM 748 CA ILE A 48 9.672 1.356 -0.909 1.00 0.00 C ATOM 749 C ILE A 48 8.702 2.533 -0.900 1.00 0.00 C ATOM 750 O ILE A 48 8.238 2.977 -1.949 1.00 0.00 O ATOM 751 CB ILE A 48 8.889 0.059 -0.637 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.845 -1.134 -0.563 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.839 -0.163 -1.716 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.539 -1.433 -1.873 1.00 0.00 C ATOM 0 H ILE A 48 10.814 0.805 0.760 1.00 0.00 H new ATOM 0 HA ILE A 48 10.146 1.287 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 48 8.381 0.154 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.597 -0.940 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.289 -2.016 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.294 -1.084 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.143 0.676 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.327 -0.240 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.201 -2.290 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.794 -1.659 -2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.123 -0.566 -2.182 1.00 0.00 H new ATOM 766 N ALA A 49 8.401 3.036 0.293 1.00 0.00 N ATOM 767 CA ALA A 49 7.490 4.164 0.439 1.00 0.00 C ATOM 768 C ALA A 49 7.995 5.381 -0.327 1.00 0.00 C ATOM 769 O ALA A 49 7.346 5.853 -1.259 1.00 0.00 O ATOM 770 CB ALA A 49 7.303 4.504 1.911 1.00 0.00 C ATOM 0 H ALA A 49 8.775 2.680 1.172 1.00 0.00 H new ATOM 0 HA ALA A 49 6.526 3.878 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.620 5.348 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.889 3.642 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.266 4.765 2.349 1.00 0.00 H new ATOM 776 N ASN A 50 9.159 5.885 0.072 1.00 0.00 N ATOM 777 CA ASN A 50 9.752 7.048 -0.578 1.00 0.00 C ATOM 778 C ASN A 50 9.650 6.934 -2.096 1.00 0.00 C ATOM 779 O ASN A 50 8.933 7.699 -2.739 1.00 0.00 O ATOM 780 CB ASN A 50 11.216 7.199 -0.162 1.00 0.00 C ATOM 781 CG ASN A 50 11.365 7.749 1.244 1.00 0.00 C ATOM 782 OD1 ASN A 50 10.909 8.853 1.542 1.00 0.00 O ATOM 783 ND2 ASN A 50 12.007 6.979 2.115 1.00 0.00 N ATOM 0 H ASN A 50 9.710 5.506 0.842 1.00 0.00 H new ATOM 0 HA ASN A 50 9.199 7.932 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.710 6.229 -0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.724 7.861 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.139 7.296 3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.368 6.071 1.823 1.00 0.00 H new ATOM 790 N MET A 51 10.374 5.973 -2.660 1.00 0.00 N ATOM 791 CA MET A 51 10.364 5.757 -4.103 1.00 0.00 C ATOM 792 C MET A 51 8.972 5.996 -4.679 1.00 0.00 C ATOM 793 O MET A 51 8.826 6.593 -5.745 1.00 0.00 O ATOM 794 CB MET A 51 10.829 4.338 -4.431 1.00 0.00 C ATOM 795 CG MET A 51 12.337 4.160 -4.362 1.00 0.00 C ATOM 796 SD MET A 51 12.922 2.783 -5.369 1.00 0.00 S ATOM 797 CE MET A 51 13.224 1.547 -4.109 1.00 0.00 C ATOM 0 H MET A 51 10.974 5.332 -2.141 1.00 0.00 H new ATOM 0 HA MET A 51 11.052 6.470 -4.557 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.357 3.641 -3.738 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.486 4.074 -5.431 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.823 5.078 -4.692 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.633 3.998 -3.325 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.591 0.633 -4.576 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.968 1.919 -3.405 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.296 1.335 -3.578 1.00 0.00 H new ATOM 807 N MET A 52 7.954 5.524 -3.967 1.00 0.00 N ATOM 808 CA MET A 52 6.574 5.687 -4.408 1.00 0.00 C ATOM 809 C MET A 52 6.119 7.134 -4.248 1.00 0.00 C ATOM 810 O MET A 52 5.709 7.776 -5.214 1.00 0.00 O ATOM 811 CB MET A 52 5.650 4.759 -3.617 1.00 0.00 C ATOM 812 CG MET A 52 5.810 3.291 -3.977 1.00 0.00 C ATOM 813 SD MET A 52 4.479 2.266 -3.320 1.00 0.00 S ATOM 814 CE MET A 52 3.161 2.640 -4.473 1.00 0.00 C ATOM 0 H MET A 52 8.059 5.026 -3.083 1.00 0.00 H new ATOM 0 HA MET A 52 6.523 5.424 -5.465 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.845 4.887 -2.552 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.616 5.056 -3.790 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.841 3.188 -5.062 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.765 2.929 -3.595 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.215 2.271 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.098 3.719 -4.617 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.366 2.158 -5.429 1.00 0.00 H new ATOM 824 N GLU A 53 6.193 7.641 -3.021 1.00 0.00 N ATOM 825 CA GLU A 53 5.788 9.012 -2.736 1.00 0.00 C ATOM 826 C GLU A 53 6.197 9.948 -3.869 1.00 0.00 C ATOM 827 O GLU A 53 5.482 10.896 -4.193 1.00 0.00 O ATOM 828 CB GLU A 53 6.407 9.487 -1.419 1.00 0.00 C ATOM 829 CG GLU A 53 5.560 9.168 -0.199 1.00 0.00 C ATOM 830 CD GLU A 53 4.575 10.272 0.133 1.00 0.00 C ATOM 831 OE1 GLU A 53 4.740 11.391 -0.395 1.00 0.00 O ATOM 832 OE2 GLU A 53 3.639 10.017 0.920 1.00 0.00 O ATOM 0 H GLU A 53 6.529 7.123 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 53 4.702 9.031 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.388 9.026 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.565 10.564 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.015 8.240 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.213 8.999 0.658 1.00 0.00 H new ATOM 839 N GLU A 54 7.351 9.672 -4.469 1.00 0.00 N ATOM 840 CA GLU A 54 7.856 10.490 -5.565 1.00 0.00 C ATOM 841 C GLU A 54 7.297 10.012 -6.902 1.00 0.00 C ATOM 842 O GLU A 54 6.853 10.813 -7.726 1.00 0.00 O ATOM 843 CB GLU A 54 9.385 10.453 -5.597 1.00 0.00 C ATOM 844 CG GLU A 54 10.034 11.053 -4.361 1.00 0.00 C ATOM 845 CD GLU A 54 11.446 11.539 -4.620 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.215 10.807 -5.279 1.00 0.00 O ATOM 847 OE2 GLU A 54 11.784 12.651 -4.165 1.00 0.00 O ATOM 0 H GLU A 54 7.953 8.889 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 54 7.528 11.516 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.713 9.419 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.735 10.991 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.427 11.885 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.051 10.307 -3.566 1.00 0.00 H new ATOM 854 N LYS A 55 7.323 8.701 -7.112 1.00 0.00 N ATOM 855 CA LYS A 55 6.819 8.113 -8.349 1.00 0.00 C ATOM 856 C LYS A 55 5.400 8.588 -8.638 1.00 0.00 C ATOM 857 O LYS A 55 5.062 8.909 -9.778 1.00 0.00 O ATOM 858 CB LYS A 55 6.849 6.586 -8.260 1.00 0.00 C ATOM 859 CG LYS A 55 6.361 5.894 -9.521 1.00 0.00 C ATOM 860 CD LYS A 55 7.392 5.973 -10.635 1.00 0.00 C ATOM 861 CE LYS A 55 7.267 4.800 -11.595 1.00 0.00 C ATOM 862 NZ LYS A 55 8.190 4.932 -12.756 1.00 0.00 N ATOM 0 H LYS A 55 7.688 8.024 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 55 7.465 8.436 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.868 6.263 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.233 6.267 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.140 4.849 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.430 6.354 -9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.267 6.907 -11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.393 5.987 -10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.481 3.872 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.240 4.732 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.074 4.113 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.969 5.804 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.172 4.971 -12.416 1.00 0.00 H new ATOM 876 N PHE A 56 4.572 8.633 -7.599 1.00 0.00 N ATOM 877 CA PHE A 56 3.188 9.070 -7.742 1.00 0.00 C ATOM 878 C PHE A 56 2.859 10.170 -6.736 1.00 0.00 C ATOM 879 O PHE A 56 2.323 9.918 -5.658 1.00 0.00 O ATOM 880 CB PHE A 56 2.236 7.888 -7.553 1.00 0.00 C ATOM 881 CG PHE A 56 2.826 6.570 -7.963 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.753 6.143 -9.280 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.456 5.758 -7.034 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.295 4.930 -9.660 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.000 4.544 -7.409 1.00 0.00 C ATOM 886 CZ PHE A 56 3.921 4.130 -8.725 1.00 0.00 C ATOM 0 H PHE A 56 4.836 8.372 -6.649 1.00 0.00 H new ATOM 0 HA PHE A 56 3.061 9.472 -8.747 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.941 7.834 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.329 8.066 -8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.267 6.765 -10.017 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.523 6.077 -6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.229 4.608 -10.689 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.486 3.920 -6.674 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.348 3.183 -9.021 1.00 0.00 H new ATOM 896 N PRO A 57 3.188 11.419 -7.098 1.00 0.00 N ATOM 897 CA PRO A 57 2.937 12.583 -6.242 1.00 0.00 C ATOM 898 C PRO A 57 1.450 12.903 -6.122 1.00 0.00 C ATOM 899 O PRO A 57 1.063 13.842 -5.426 1.00 0.00 O ATOM 900 CB PRO A 57 3.672 13.717 -6.961 1.00 0.00 C ATOM 901 CG PRO A 57 3.722 13.292 -8.388 1.00 0.00 C ATOM 902 CD PRO A 57 3.830 11.792 -8.370 1.00 0.00 C ATOM 0 HA PRO A 57 3.276 12.418 -5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.145 14.664 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.674 13.859 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.828 13.612 -8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.575 13.739 -8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.322 11.342 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.869 11.463 -8.407 1.00 0.00 H new ATOM 910 N ALA A 58 0.623 12.118 -6.805 1.00 0.00 N ATOM 911 CA ALA A 58 -0.820 12.318 -6.771 1.00 0.00 C ATOM 912 C ALA A 58 -1.473 11.431 -5.718 1.00 0.00 C ATOM 913 O ALA A 58 -2.239 11.906 -4.879 1.00 0.00 O ATOM 914 CB ALA A 58 -1.423 12.045 -8.142 1.00 0.00 C ATOM 0 H ALA A 58 0.928 11.338 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.011 13.357 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.501 12.198 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.987 12.725 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.213 11.016 -8.433 1.00 0.00 H new ATOM 920 N ASP A 59 -1.167 10.139 -5.768 1.00 0.00 N ATOM 921 CA ASP A 59 -1.725 9.185 -4.817 1.00 0.00 C ATOM 922 C ASP A 59 -0.711 8.846 -3.728 1.00 0.00 C ATOM 923 O ASP A 59 -1.055 8.246 -2.710 1.00 0.00 O ATOM 924 CB ASP A 59 -2.162 7.908 -5.538 1.00 0.00 C ATOM 925 CG ASP A 59 -1.184 7.492 -6.620 1.00 0.00 C ATOM 926 OD1 ASP A 59 -1.211 8.103 -7.709 1.00 0.00 O ATOM 927 OD2 ASP A 59 -0.394 6.555 -6.378 1.00 0.00 O ATOM 0 H ASP A 59 -0.536 9.729 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.595 9.645 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.262 7.101 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.146 8.063 -5.981 1.00 0.00 H new ATOM 932 N SER A 60 0.541 9.235 -3.951 1.00 0.00 N ATOM 933 CA SER A 60 1.606 8.969 -2.992 1.00 0.00 C ATOM 934 C SER A 60 1.573 7.514 -2.533 1.00 0.00 C ATOM 935 O SER A 60 1.975 7.195 -1.415 1.00 0.00 O ATOM 936 CB SER A 60 1.478 9.899 -1.784 1.00 0.00 C ATOM 937 OG SER A 60 0.386 9.521 -0.963 1.00 0.00 O ATOM 0 H SER A 60 0.842 9.735 -4.787 1.00 0.00 H new ATOM 0 HA SER A 60 2.560 9.155 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.400 9.874 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.343 10.926 -2.124 1.00 0.00 H new ATOM 0 HG SER A 60 -0.063 8.743 -1.354 1.00 0.00 H new ATOM 943 N GLY A 61 1.092 6.635 -3.408 1.00 0.00 N ATOM 944 CA GLY A 61 1.016 5.225 -3.075 1.00 0.00 C ATOM 945 C GLY A 61 -0.310 4.850 -2.443 1.00 0.00 C ATOM 946 O GLY A 61 -0.723 3.690 -2.490 1.00 0.00 O ATOM 0 H GLY A 61 0.754 6.875 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.165 4.633 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.826 4.972 -2.391 1.00 0.00 H new ATOM 950 N LEU A 62 -0.977 5.830 -1.845 1.00 0.00 N ATOM 951 CA LEU A 62 -2.263 5.598 -1.197 1.00 0.00 C ATOM 952 C LEU A 62 -3.171 4.746 -2.079 1.00 0.00 C ATOM 953 O LEU A 62 -3.512 3.616 -1.729 1.00 0.00 O ATOM 954 CB LEU A 62 -2.945 6.929 -0.879 1.00 0.00 C ATOM 955 CG LEU A 62 -4.366 6.839 -0.321 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.357 6.206 1.061 1.00 0.00 C ATOM 957 CD2 LEU A 62 -5.008 8.217 -0.274 1.00 0.00 C ATOM 0 H LEU A 62 -0.648 6.794 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.081 5.060 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.328 7.468 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.971 7.528 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.957 6.207 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.377 6.150 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.937 5.202 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.750 6.811 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.019 8.134 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.417 8.872 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.049 8.634 -1.280 1.00 0.00 H new ATOM 969 N GLY A 63 -3.557 5.295 -3.227 1.00 0.00 N ATOM 970 CA GLY A 63 -4.420 4.571 -4.142 1.00 0.00 C ATOM 971 C GLY A 63 -3.866 3.207 -4.505 1.00 0.00 C ATOM 972 O GLY A 63 -4.495 2.182 -4.241 1.00 0.00 O ATOM 0 H GLY A 63 -3.288 6.228 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.405 4.451 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.555 5.158 -5.050 1.00 0.00 H new ATOM 976 N LYS A 64 -2.685 3.192 -5.113 1.00 0.00 N ATOM 977 CA LYS A 64 -2.045 1.945 -5.513 1.00 0.00 C ATOM 978 C LYS A 64 -2.133 0.907 -4.400 1.00 0.00 C ATOM 979 O LYS A 64 -2.379 -0.273 -4.656 1.00 0.00 O ATOM 980 CB LYS A 64 -0.580 2.194 -5.879 1.00 0.00 C ATOM 981 CG LYS A 64 0.069 1.035 -6.615 1.00 0.00 C ATOM 982 CD LYS A 64 -0.336 1.008 -8.080 1.00 0.00 C ATOM 983 CE LYS A 64 0.620 1.823 -8.938 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.052 2.374 -10.147 1.00 0.00 N ATOM 0 H LYS A 64 -2.151 4.031 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.571 1.560 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.516 3.088 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.016 2.396 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.153 1.115 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.216 0.096 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.356 -0.023 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.347 1.401 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.031 2.641 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.459 1.197 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.633 2.923 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.422 1.593 -10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.836 2.992 -9.857 1.00 0.00 H new ATOM 998 N LEU A 65 -1.933 1.351 -3.165 1.00 0.00 N ATOM 999 CA LEU A 65 -1.991 0.461 -2.012 1.00 0.00 C ATOM 1000 C LEU A 65 -3.428 0.041 -1.720 1.00 0.00 C ATOM 1001 O LEU A 65 -3.695 -1.120 -1.409 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.388 1.144 -0.783 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.151 0.249 0.435 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.470 -0.288 0.967 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.211 -0.894 0.080 1.00 0.00 C ATOM 0 H LEU A 65 -1.729 2.324 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.411 -0.432 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.436 1.591 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.047 1.960 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.685 0.847 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.282 -0.922 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.110 0.544 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.965 -0.871 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.053 -1.521 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.650 -1.492 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.745 -0.489 -0.253 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.350 0.992 -1.825 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.760 0.719 -1.577 1.00 0.00 C ATOM 1019 C ILE A 66 -6.226 -0.513 -2.344 1.00 0.00 C ATOM 1020 O ILE A 66 -6.751 -1.459 -1.757 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.643 1.919 -1.969 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.501 3.043 -0.941 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.096 1.489 -2.093 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.058 4.368 -1.412 1.00 0.00 C ATOM 0 H ILE A 66 -4.146 1.958 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.862 0.537 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.311 2.294 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.010 2.750 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.446 3.168 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.707 2.348 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.183 0.719 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.441 1.092 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.923 5.117 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.533 4.684 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.120 4.259 -1.630 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.028 -0.494 -3.658 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.427 -1.611 -4.506 1.00 0.00 C ATOM 1038 C GLU A 67 -5.832 -2.921 -3.996 1.00 0.00 C ATOM 1039 O GLU A 67 -6.517 -3.942 -3.928 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.988 -1.367 -5.951 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.745 -0.242 -6.636 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.475 -0.178 -8.126 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -6.915 -1.097 -8.849 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -5.822 0.790 -8.569 1.00 0.00 O ATOM 0 H GLU A 67 -5.594 0.282 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.514 -1.688 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.923 -1.137 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.123 -2.285 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.814 -0.375 -6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.467 0.708 -6.179 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.552 -2.884 -3.640 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.863 -4.066 -3.138 1.00 0.00 C ATOM 1053 C PHE A 68 -4.641 -4.703 -1.991 1.00 0.00 C ATOM 1054 O PHE A 68 -4.653 -5.925 -1.837 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.452 -3.701 -2.672 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.722 -4.841 -2.021 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.318 -5.937 -2.766 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.441 -4.818 -0.665 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.645 -6.988 -2.171 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.769 -5.865 -0.064 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.371 -6.952 -0.817 1.00 0.00 C ATOM 0 H PHE A 68 -3.971 -2.047 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.794 -4.788 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.874 -3.352 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.514 -2.871 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.531 -5.971 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.751 -3.971 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.334 -7.836 -2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.555 -5.833 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.153 -7.772 -0.349 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.290 -3.867 -1.188 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.070 -4.347 -0.052 1.00 0.00 C ATOM 1073 C CYS A 69 -7.403 -4.925 -0.515 1.00 0.00 C ATOM 1074 O CYS A 69 -7.847 -5.959 -0.019 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.309 -3.212 0.944 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.925 -2.912 2.068 1.00 0.00 S ATOM 0 H CYS A 69 -5.292 -2.853 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.504 -5.138 0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.519 -2.296 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.198 -3.440 1.532 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.180 -3.451 3.223 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.038 -4.248 -1.467 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.323 -4.693 -1.993 1.00 0.00 C ATOM 1084 C GLU A 70 -9.242 -6.140 -2.470 1.00 0.00 C ATOM 1085 O GLU A 70 -9.958 -7.008 -1.972 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.767 -3.789 -3.146 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.305 -2.443 -2.690 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.794 -2.475 -2.405 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.224 -3.320 -1.592 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.529 -1.656 -2.995 1.00 0.00 O ATOM 0 H GLU A 70 -7.684 -3.390 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.057 -4.633 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.922 -3.626 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.536 -4.302 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.774 -2.129 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.102 -1.696 -3.457 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.367 -6.390 -3.438 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.195 -7.733 -3.983 1.00 0.00 C ATOM 1099 C GLU A 71 -8.254 -8.781 -2.875 1.00 0.00 C ATOM 1100 O GLU A 71 -8.864 -9.838 -3.038 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.863 -7.838 -4.728 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.702 -8.260 -3.844 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.420 -8.472 -4.626 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.271 -9.551 -5.238 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.566 -7.561 -4.625 1.00 0.00 O ATOM 0 H GLU A 71 -7.767 -5.682 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.010 -7.921 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.968 -8.555 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.632 -6.873 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.536 -7.499 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.963 -9.182 -3.324 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.615 -8.480 -1.749 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.595 -9.396 -0.615 1.00 0.00 C ATOM 1114 C VAL A 72 -8.787 -9.158 0.306 1.00 0.00 C ATOM 1115 O VAL A 72 -9.076 -8.030 0.708 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.296 -9.252 0.200 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.037 -10.506 1.020 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.121 -8.955 -0.720 1.00 0.00 C ATOM 0 H VAL A 72 -7.105 -7.610 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.650 -10.405 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.411 -8.415 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.115 -10.385 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.868 -10.670 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.942 -11.363 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.211 -8.856 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.003 -9.770 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.306 -8.025 -1.258 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.498 -10.242 0.646 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.671 -10.177 1.523 1.00 0.00 C ATOM 1130 C PRO A 73 -10.298 -9.847 2.965 1.00 0.00 C ATOM 1131 O PRO A 73 -11.129 -9.371 3.737 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.261 -11.587 1.433 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.108 -12.456 1.069 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.211 -11.616 0.201 1.00 0.00 C ATOM 0 HA PRO A 73 -11.363 -9.391 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.703 -11.893 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.049 -11.639 0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.580 -12.797 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.443 -13.346 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.161 -11.873 0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.434 -11.751 -0.857 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.043 -10.104 3.321 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.561 -9.831 4.669 1.00 0.00 C ATOM 1144 C ALA A 74 -7.982 -8.425 4.770 1.00 0.00 C ATOM 1145 O ALA A 74 -7.620 -7.968 5.856 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.521 -10.864 5.076 1.00 0.00 C ATOM 0 H ALA A 74 -8.343 -10.501 2.695 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.408 -9.896 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.169 -10.648 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.967 -11.858 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.680 -10.827 4.383 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.894 -7.742 3.635 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.357 -6.386 3.596 1.00 0.00 C ATOM 1154 C LEU A 75 -8.433 -5.386 3.187 1.00 0.00 C ATOM 1155 O LEU A 75 -8.284 -4.181 3.392 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.178 -6.311 2.623 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.990 -7.221 2.937 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.915 -7.082 1.870 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.424 -6.904 4.312 1.00 0.00 C ATOM 0 H LEU A 75 -8.188 -8.105 2.728 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.011 -6.130 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.541 -6.553 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.823 -5.281 2.592 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.339 -8.254 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.077 -7.737 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.327 -7.360 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.569 -6.049 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.579 -7.561 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.091 -5.866 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.195 -7.057 5.067 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.518 -5.893 2.610 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.619 -5.043 2.174 1.00 0.00 C ATOM 1173 C ARG A 76 -11.073 -4.120 3.300 1.00 0.00 C ATOM 1174 O ARG A 76 -11.621 -3.046 3.055 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.793 -5.900 1.697 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.713 -6.281 0.228 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.883 -7.161 -0.184 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.146 -6.430 -0.180 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.336 -7.020 -0.138 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.424 -8.341 -0.095 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.441 -6.285 -0.138 1.00 0.00 N ATOM 0 H ARG A 76 -9.658 -6.888 2.434 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.265 -4.429 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.836 -6.809 2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.722 -5.358 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.702 -5.378 -0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.777 -6.806 0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.700 -7.563 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.954 -8.011 0.495 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.114 -5.411 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.577 -8.909 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.339 -8.790 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.377 -5.268 -0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.355 -6.738 -0.106 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.841 -4.547 4.537 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.225 -3.760 5.703 1.00 0.00 C ATOM 1197 C LYS A 77 -10.481 -2.429 5.730 1.00 0.00 C ATOM 1198 O LYS A 77 -11.040 -1.402 6.120 1.00 0.00 O ATOM 1199 CB LYS A 77 -10.940 -4.541 6.988 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.727 -4.045 8.189 1.00 0.00 C ATOM 1201 CD LYS A 77 -11.056 -2.849 8.841 1.00 0.00 C ATOM 1202 CE LYS A 77 -10.062 -3.282 9.908 1.00 0.00 C ATOM 1203 NZ LYS A 77 -8.714 -3.551 9.334 1.00 0.00 N ATOM 0 H LYS A 77 -10.389 -5.434 4.758 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.294 -3.558 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.171 -5.593 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.875 -4.480 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.735 -3.772 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.826 -4.850 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.543 -2.259 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.813 -2.204 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.984 -2.505 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.431 -4.179 10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.988 -3.377 10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.661 -4.542 9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.551 -2.923 8.521 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.221 -2.452 5.311 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.400 -1.246 5.287 1.00 0.00 C ATOM 1219 C ARG A 78 -8.748 -0.377 4.081 1.00 0.00 C ATOM 1220 O ARG A 78 -8.963 0.827 4.214 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.916 -1.614 5.252 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.427 -2.289 6.523 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.465 -1.339 7.710 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.900 -1.943 8.913 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.816 -1.314 10.081 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.256 -0.069 10.200 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.288 -1.931 11.131 1.00 0.00 N ATOM 0 H ARG A 78 -8.745 -3.292 4.983 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.605 -0.678 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.734 -2.276 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.330 -0.711 5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.046 -3.161 6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.409 -2.649 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.912 -0.432 7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.496 -1.042 7.903 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.551 -2.900 8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.660 0.408 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.190 0.411 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.947 -2.888 11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.224 -1.448 12.027 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.801 -0.996 2.907 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.124 -0.280 1.678 1.00 0.00 C ATOM 1243 C ALA A 79 -10.233 0.740 1.914 1.00 0.00 C ATOM 1244 O ALA A 79 -10.010 1.946 1.807 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.528 -1.261 0.587 1.00 0.00 C ATOM 0 H ALA A 79 -8.624 -1.993 2.780 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.234 0.259 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.766 -0.713 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.705 -1.948 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.403 -1.825 0.911 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.425 0.248 2.233 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.568 1.119 2.481 1.00 0.00 C ATOM 1253 C GLU A 80 -12.170 2.303 3.357 1.00 0.00 C ATOM 1254 O GLU A 80 -12.431 3.458 3.016 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.700 0.335 3.148 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.449 0.035 4.616 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.515 -0.859 5.220 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.100 -1.672 4.475 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.764 -0.745 6.439 1.00 0.00 O ATOM 0 H GLU A 80 -11.625 -0.748 2.326 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.916 1.500 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.627 0.901 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.845 -0.604 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.475 -0.443 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.408 0.971 5.172 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.537 2.009 4.489 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.103 3.048 5.413 1.00 0.00 C ATOM 1268 C ILE A 81 -10.217 4.073 4.711 1.00 0.00 C ATOM 1269 O ILE A 81 -10.439 5.279 4.819 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.333 2.453 6.607 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.210 1.447 7.356 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.870 3.561 7.543 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.487 0.732 8.475 1.00 0.00 C ATOM 0 H ILE A 81 -11.314 1.059 4.787 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.003 3.540 5.780 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.453 1.931 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.075 1.967 7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.588 0.709 6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.327 3.125 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.215 4.244 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.736 4.108 7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.169 0.035 8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.638 0.184 8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.133 1.461 9.204 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.213 3.584 3.992 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.293 4.458 3.270 1.00 0.00 C ATOM 1287 C LEU A 82 -9.044 5.327 2.266 1.00 0.00 C ATOM 1288 O LEU A 82 -9.015 6.555 2.349 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.231 3.626 2.548 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.327 2.773 3.439 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.743 1.611 2.650 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.217 3.622 4.042 1.00 0.00 C ATOM 0 H LEU A 82 -9.015 2.588 3.893 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.805 5.111 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.734 2.968 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.603 4.301 1.967 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.929 2.367 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.102 1.015 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.552 0.988 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.156 1.996 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.584 2.998 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.617 4.057 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.654 4.420 4.643 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.716 4.682 1.319 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.477 5.395 0.299 1.00 0.00 C ATOM 1306 C LYS A 83 -11.323 6.499 0.927 1.00 0.00 C ATOM 1307 O LYS A 83 -11.392 7.613 0.407 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.376 4.423 -0.468 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.624 3.251 -1.075 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.492 2.006 -1.141 1.00 0.00 C ATOM 1311 CE LYS A 83 -12.398 2.020 -2.363 1.00 0.00 C ATOM 1312 NZ LYS A 83 -13.712 2.656 -2.072 1.00 0.00 N ATOM 0 H LYS A 83 -9.749 3.666 1.236 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.771 5.851 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.143 4.042 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.889 4.965 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.287 3.514 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.733 3.043 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.857 1.120 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.099 1.936 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.906 2.558 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.558 0.999 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.479 1.999 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.770 2.886 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.807 3.528 -2.631 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.965 6.183 2.046 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.805 7.149 2.745 1.00 0.00 C ATOM 1328 C LYS A 84 -12.082 8.481 2.908 1.00 0.00 C ATOM 1329 O LYS A 84 -12.636 9.539 2.611 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.208 6.604 4.117 1.00 0.00 C ATOM 1331 CG LYS A 84 -14.276 7.432 4.810 1.00 0.00 C ATOM 1332 CD LYS A 84 -13.669 8.588 5.588 1.00 0.00 C ATOM 1333 CE LYS A 84 -14.739 9.417 6.281 1.00 0.00 C ATOM 1334 NZ LYS A 84 -14.152 10.559 7.037 1.00 0.00 N ATOM 0 H LYS A 84 -11.920 5.265 2.489 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.702 7.314 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.570 5.583 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.325 6.558 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.976 7.819 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.847 6.797 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.970 8.201 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.097 9.223 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.442 9.795 5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.305 8.783 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.913 11.100 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.500 10.197 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.633 11.178 6.382 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.841 8.422 3.382 1.00 0.00 N ATOM 1349 CA GLU A 85 -10.043 9.626 3.584 1.00 0.00 C ATOM 1350 C GLU A 85 -9.408 10.084 2.273 1.00 0.00 C ATOM 1351 O GLU A 85 -9.074 11.257 2.110 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.953 9.373 4.629 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.019 8.230 4.271 1.00 0.00 C ATOM 1354 CD GLU A 85 -6.732 8.256 5.073 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -5.780 8.941 4.644 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -6.678 7.591 6.128 1.00 0.00 O ATOM 0 H GLU A 85 -10.367 7.554 3.633 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.705 10.414 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.367 10.283 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.424 9.159 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.529 7.282 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.782 8.279 3.208 1.00 0.00 H new