USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 528 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 35 CYS SG : rot 140:sc= 0.292 USER MOD Set 1.2: A 38 CYS SG : rot -55:sc= 0.318 USER MOD Set 1.3: A 58 CYS SG : rot -130:sc= -2.84! USER MOD Set 2.1: A 8 CYS SG : rot 147:sc= 0.403! USER MOD Set 2.2: A 11 CYS SG : rot -43:sc= 0.629 USER MOD Set 2.3: A 29 HIS : no HD1:sc= -0.31! C(o=-3!,f=-11!) USER MOD Set 2.4: A 32 CYS SG : rot 148:sc= -3.74! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 165:sc= -0.546 USER MOD Single : A 24 MET CE :methyl 130:sc= -1.36 (180deg=-2.24!) USER MOD Single : A 26 SER OG : rot 61:sc= 0.26 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 82:sc= 0.142 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 70:sc= 1.25 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.79) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 133:sc= 1.25 USER MOD Single : A 49 SER OG : rot 180:sc= -1.41 USER MOD Single : A 50 TYR OH : rot 85:sc= 1.24 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -126:sc= -1.61! (180deg=-3.94!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -165:sc= -0.389 (180deg=-1.18) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.472 -1.819 -0.299 1.00 0.00 N ATOM 98 CA ARG A 7 -10.061 -2.865 0.622 1.00 0.00 C ATOM 99 C ARG A 7 -8.607 -2.671 1.023 1.00 0.00 C ATOM 100 O ARG A 7 -7.772 -2.297 0.201 1.00 0.00 O ATOM 101 CB ARG A 7 -10.278 -4.254 0.010 1.00 0.00 C ATOM 102 CG ARG A 7 -9.220 -4.664 -1.009 1.00 0.00 C ATOM 103 CD ARG A 7 -8.248 -5.701 -0.449 1.00 0.00 C ATOM 104 NE ARG A 7 -8.660 -6.225 0.859 1.00 0.00 N ATOM 105 CZ ARG A 7 -9.144 -7.456 1.046 1.00 0.00 C ATOM 106 NH1 ARG A 7 -9.310 -8.270 0.011 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.468 -7.868 2.266 1.00 0.00 N ATOM 0 HA ARG A 7 -10.680 -2.797 1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.298 -4.992 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.256 -4.278 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.709 -5.069 -1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.664 -3.782 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.161 -6.527 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.259 -5.253 -0.359 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.572 -5.614 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.068 -7.956 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.680 -9.210 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.348 -7.244 3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.837 -8.809 2.405 1.00 0.00 H new ATOM 121 N CYS A 8 -8.335 -2.858 2.299 1.00 0.00 N ATOM 122 CA CYS A 8 -7.015 -2.648 2.847 1.00 0.00 C ATOM 123 C CYS A 8 -6.150 -3.889 2.700 1.00 0.00 C ATOM 124 O CYS A 8 -6.636 -5.022 2.780 1.00 0.00 O ATOM 125 CB CYS A 8 -7.137 -2.278 4.322 1.00 0.00 C ATOM 126 SG CYS A 8 -5.631 -1.586 5.073 1.00 0.00 S ATOM 0 H CYS A 8 -9.027 -3.161 2.985 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.537 -1.839 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.945 -1.555 4.433 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.427 -3.168 4.881 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.960 -0.720 5.985 1.00 0.00 H new ATOM 131 N ALA A 9 -4.857 -3.660 2.599 1.00 0.00 N ATOM 132 CA ALA A 9 -3.882 -4.731 2.593 1.00 0.00 C ATOM 133 C ALA A 9 -3.001 -4.619 3.830 1.00 0.00 C ATOM 134 O ALA A 9 -2.063 -5.395 4.017 1.00 0.00 O ATOM 135 CB ALA A 9 -3.040 -4.683 1.328 1.00 0.00 C ATOM 0 H ALA A 9 -4.453 -2.727 2.519 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.403 -5.688 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.314 -5.496 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.686 -4.790 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.516 -3.729 1.276 1.00 0.00 H new ATOM 141 N GLY A 10 -3.310 -3.628 4.666 1.00 0.00 N ATOM 142 CA GLY A 10 -2.543 -3.404 5.873 1.00 0.00 C ATOM 143 C GLY A 10 -3.135 -4.124 7.063 1.00 0.00 C ATOM 144 O GLY A 10 -2.450 -4.903 7.724 1.00 0.00 O ATOM 0 H GLY A 10 -4.082 -2.976 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.518 -3.741 5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.499 -2.335 6.081 1.00 0.00 H new ATOM 148 N CYS A 11 -4.431 -3.939 7.286 1.00 0.00 N ATOM 149 CA CYS A 11 -5.109 -4.668 8.347 1.00 0.00 C ATOM 150 C CYS A 11 -5.836 -5.875 7.768 1.00 0.00 C ATOM 151 O CYS A 11 -6.008 -6.894 8.440 1.00 0.00 O ATOM 152 CB CYS A 11 -6.073 -3.766 9.122 1.00 0.00 C ATOM 153 SG CYS A 11 -7.288 -2.864 8.107 1.00 0.00 S ATOM 0 H CYS A 11 -5.024 -3.301 6.755 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.357 -5.018 9.054 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.612 -4.377 9.846 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.489 -3.041 9.689 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.703 -2.392 7.047 1.00 0.00 H new ATOM 158 N GLY A 12 -6.146 -5.788 6.482 1.00 0.00 N ATOM 159 CA GLY A 12 -6.709 -6.919 5.772 1.00 0.00 C ATOM 160 C GLY A 12 -8.212 -6.837 5.598 1.00 0.00 C ATOM 161 O GLY A 12 -8.830 -7.772 5.094 1.00 0.00 O ATOM 0 H GLY A 12 -6.017 -4.950 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.241 -6.991 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.463 -7.834 6.310 1.00 0.00 H new ATOM 165 N GLY A 13 -8.815 -5.733 6.012 1.00 0.00 N ATOM 166 CA GLY A 13 -10.240 -5.611 5.905 1.00 0.00 C ATOM 167 C GLY A 13 -10.671 -4.664 4.814 1.00 0.00 C ATOM 168 O GLY A 13 -9.992 -4.500 3.799 1.00 0.00 O ATOM 0 H GLY A 13 -8.339 -4.927 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.670 -6.595 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.642 -5.266 6.858 1.00 0.00 H new ATOM 172 N LYS A 14 -11.814 -4.061 5.034 1.00 0.00 N ATOM 173 CA LYS A 14 -12.399 -3.116 4.095 1.00 0.00 C ATOM 174 C LYS A 14 -12.185 -1.685 4.573 1.00 0.00 C ATOM 175 O LYS A 14 -12.283 -1.401 5.768 1.00 0.00 O ATOM 176 CB LYS A 14 -13.896 -3.404 3.931 1.00 0.00 C ATOM 177 CG LYS A 14 -14.629 -2.409 3.045 1.00 0.00 C ATOM 178 CD LYS A 14 -16.116 -2.388 3.349 1.00 0.00 C ATOM 179 CE LYS A 14 -16.842 -3.526 2.650 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.774 -4.235 3.562 1.00 0.00 N ATOM 0 H LYS A 14 -12.374 -4.209 5.874 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.907 -3.231 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.019 -4.404 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.363 -3.410 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.212 -1.413 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.474 -2.669 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.270 -2.463 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.540 -1.435 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.397 -3.133 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.112 -4.233 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.248 -5.003 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.242 -4.633 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.486 -3.567 3.919 1.00 0.00 H new ATOM 194 N ILE A 15 -11.928 -0.781 3.640 1.00 0.00 N ATOM 195 CA ILE A 15 -11.767 0.622 3.974 1.00 0.00 C ATOM 196 C ILE A 15 -13.028 1.414 3.650 1.00 0.00 C ATOM 197 O ILE A 15 -13.185 1.920 2.538 1.00 0.00 O ATOM 198 CB ILE A 15 -10.582 1.262 3.230 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.462 0.239 3.031 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.080 2.478 3.993 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.286 0.770 2.244 1.00 0.00 C ATOM 0 H ILE A 15 -11.827 -0.995 2.648 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.572 0.658 5.046 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.918 1.590 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.112 -0.098 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.866 -0.634 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.241 2.923 3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.883 3.209 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.755 2.174 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.533 -0.011 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.621 1.080 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.855 1.625 2.766 1.00 0.00 H new ATOM 212 N ALA A 16 -13.874 1.601 4.646 1.00 0.00 N ATOM 213 CA ALA A 16 -15.046 2.452 4.497 1.00 0.00 C ATOM 214 C ALA A 16 -14.810 3.762 5.231 1.00 0.00 C ATOM 215 O ALA A 16 -15.700 4.607 5.347 1.00 0.00 O ATOM 216 CB ALA A 16 -16.292 1.755 5.021 1.00 0.00 C ATOM 0 H ALA A 16 -13.774 1.176 5.568 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.206 2.658 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.154 2.411 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.455 0.833 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.161 1.521 6.078 1.00 0.00 H new ATOM 222 N ASP A 17 -13.585 3.919 5.709 1.00 0.00 N ATOM 223 CA ASP A 17 -13.179 5.115 6.424 1.00 0.00 C ATOM 224 C ASP A 17 -12.851 6.232 5.442 1.00 0.00 C ATOM 225 O ASP A 17 -12.451 5.974 4.305 1.00 0.00 O ATOM 226 CB ASP A 17 -11.958 4.821 7.303 1.00 0.00 C ATOM 227 CG ASP A 17 -12.224 3.743 8.339 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.999 3.991 9.290 1.00 0.00 O ATOM 229 OD2 ASP A 17 -11.652 2.638 8.208 1.00 0.00 O ATOM 0 H ASP A 17 -12.847 3.221 5.612 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.005 5.434 7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.126 4.512 6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.651 5.737 7.809 1.00 0.00 H new ATOM 234 N ARG A 18 -13.048 7.466 5.878 1.00 0.00 N ATOM 235 CA ARG A 18 -12.802 8.639 5.044 1.00 0.00 C ATOM 236 C ARG A 18 -11.315 8.808 4.755 1.00 0.00 C ATOM 237 O ARG A 18 -10.922 9.450 3.783 1.00 0.00 O ATOM 238 CB ARG A 18 -13.326 9.884 5.757 1.00 0.00 C ATOM 239 CG ARG A 18 -13.254 11.149 4.921 1.00 0.00 C ATOM 240 CD ARG A 18 -14.546 11.395 4.165 1.00 0.00 C ATOM 241 NE ARG A 18 -14.524 10.785 2.837 1.00 0.00 N ATOM 242 CZ ARG A 18 -14.161 11.423 1.725 1.00 0.00 C ATOM 243 NH1 ARG A 18 -13.805 12.705 1.765 1.00 0.00 N ATOM 244 NH2 ARG A 18 -14.157 10.767 0.572 1.00 0.00 N ATOM 0 H ARG A 18 -13.382 7.686 6.816 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.321 8.502 4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.362 9.713 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.755 10.033 6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.042 12.001 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.428 11.072 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.383 10.993 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.712 12.468 4.069 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.805 9.808 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.808 13.208 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.529 13.185 0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.430 9.785 0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.881 11.245 -0.286 1.00 0.00 H new ATOM 258 N PHE A 19 -10.498 8.296 5.652 1.00 0.00 N ATOM 259 CA PHE A 19 -9.060 8.457 5.558 1.00 0.00 C ATOM 260 C PHE A 19 -8.407 7.151 5.133 1.00 0.00 C ATOM 261 O PHE A 19 -8.452 6.160 5.862 1.00 0.00 O ATOM 262 CB PHE A 19 -8.513 8.929 6.905 1.00 0.00 C ATOM 263 CG PHE A 19 -9.184 10.180 7.398 1.00 0.00 C ATOM 264 CD1 PHE A 19 -10.373 10.118 8.110 1.00 0.00 C ATOM 265 CD2 PHE A 19 -8.641 11.416 7.119 1.00 0.00 C ATOM 266 CE1 PHE A 19 -11.001 11.272 8.536 1.00 0.00 C ATOM 267 CE2 PHE A 19 -9.260 12.572 7.546 1.00 0.00 C ATOM 268 CZ PHE A 19 -10.443 12.502 8.250 1.00 0.00 C ATOM 0 H PHE A 19 -10.808 7.760 6.462 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.828 9.207 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.643 8.137 7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.442 9.108 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.812 9.157 8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.720 11.480 6.559 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.926 11.212 9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.818 13.533 7.329 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.932 13.407 8.577 1.00 0.00 H new ATOM 278 N LEU A 20 -7.857 7.139 3.929 1.00 0.00 N ATOM 279 CA LEU A 20 -7.256 5.932 3.383 1.00 0.00 C ATOM 280 C LEU A 20 -6.041 6.265 2.523 1.00 0.00 C ATOM 281 O LEU A 20 -5.796 7.427 2.187 1.00 0.00 O ATOM 282 CB LEU A 20 -8.293 5.151 2.565 1.00 0.00 C ATOM 283 CG LEU A 20 -8.196 5.307 1.045 1.00 0.00 C ATOM 284 CD1 LEU A 20 -7.879 3.972 0.391 1.00 0.00 C ATOM 285 CD2 LEU A 20 -9.486 5.878 0.483 1.00 0.00 C ATOM 0 H LEU A 20 -7.814 7.950 3.312 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.919 5.312 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.199 4.093 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.288 5.464 2.881 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.386 6.002 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.814 4.102 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.928 3.598 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.668 3.257 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.397 5.981 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.313 5.208 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.675 6.856 0.927 1.00 0.00 H new ATOM 297 N LEU A 21 -5.311 5.229 2.145 1.00 0.00 N ATOM 298 CA LEU A 21 -4.158 5.368 1.278 1.00 0.00 C ATOM 299 C LEU A 21 -4.226 4.346 0.152 1.00 0.00 C ATOM 300 O LEU A 21 -4.727 3.242 0.337 1.00 0.00 O ATOM 301 CB LEU A 21 -2.868 5.167 2.077 1.00 0.00 C ATOM 302 CG LEU A 21 -1.695 6.037 1.632 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.930 6.552 2.836 1.00 0.00 C ATOM 304 CD2 LEU A 21 -0.776 5.255 0.709 1.00 0.00 C ATOM 0 H LEU A 21 -5.503 4.269 2.432 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.161 6.372 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.073 5.369 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.573 4.120 2.006 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.087 6.893 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.097 7.170 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.595 7.147 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.547 5.709 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.055 5.889 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.390 4.381 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.333 4.933 -0.171 1.00 0.00 H new ATOM 316 N TYR A 22 -3.640 4.684 -0.976 1.00 0.00 N ATOM 317 CA TYR A 22 -3.514 3.745 -2.082 1.00 0.00 C ATOM 318 C TYR A 22 -2.043 3.609 -2.439 1.00 0.00 C ATOM 319 O TYR A 22 -1.389 4.602 -2.758 1.00 0.00 O ATOM 320 CB TYR A 22 -4.305 4.193 -3.322 1.00 0.00 C ATOM 321 CG TYR A 22 -5.560 5.006 -3.053 1.00 0.00 C ATOM 322 CD1 TYR A 22 -5.491 6.365 -2.784 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.818 4.419 -3.113 1.00 0.00 C ATOM 324 CE1 TYR A 22 -6.631 7.117 -2.584 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.965 5.164 -2.906 1.00 0.00 C ATOM 326 CZ TYR A 22 -7.865 6.512 -2.645 1.00 0.00 C ATOM 327 OH TYR A 22 -9.002 7.263 -2.453 1.00 0.00 O ATOM 0 H TYR A 22 -3.240 5.605 -1.157 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.928 2.789 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.644 4.782 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.585 3.306 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.525 6.845 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.902 3.363 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.555 8.175 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.935 4.690 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.784 6.757 -2.759 1.00 0.00 H new ATOM 337 N ALA A 23 -1.503 2.407 -2.303 1.00 0.00 N ATOM 338 CA ALA A 23 -0.086 2.180 -2.542 1.00 0.00 C ATOM 339 C ALA A 23 0.179 0.771 -3.054 1.00 0.00 C ATOM 340 O ALA A 23 -0.492 -0.181 -2.656 1.00 0.00 O ATOM 341 CB ALA A 23 0.710 2.426 -1.267 1.00 0.00 C ATOM 0 H ALA A 23 -2.024 1.574 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 23 0.235 2.883 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.769 2.253 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.565 3.456 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.367 1.746 -0.487 1.00 0.00 H new ATOM 347 N MET A 24 1.198 0.649 -3.901 1.00 0.00 N ATOM 348 CA MET A 24 1.637 -0.643 -4.439 1.00 0.00 C ATOM 349 C MET A 24 0.501 -1.403 -5.117 1.00 0.00 C ATOM 350 O MET A 24 0.410 -2.626 -4.998 1.00 0.00 O ATOM 351 CB MET A 24 2.257 -1.510 -3.336 1.00 0.00 C ATOM 352 CG MET A 24 3.777 -1.512 -3.350 1.00 0.00 C ATOM 353 SD MET A 24 4.492 -3.081 -2.811 1.00 0.00 S ATOM 354 CE MET A 24 3.611 -4.244 -3.851 1.00 0.00 C ATOM 0 H MET A 24 1.745 1.442 -4.236 1.00 0.00 H new ATOM 0 HA MET A 24 2.391 -0.428 -5.196 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.911 -1.153 -2.366 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.899 -2.534 -3.445 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.125 -1.289 -4.359 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.141 -0.713 -2.704 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.324 -4.913 -4.334 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.921 -4.828 -3.241 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.051 -3.700 -4.612 1.00 0.00 H new ATOM 364 N ASP A 25 -0.351 -0.671 -5.834 1.00 0.00 N ATOM 365 CA ASP A 25 -1.465 -1.268 -6.574 1.00 0.00 C ATOM 366 C ASP A 25 -2.464 -1.912 -5.621 1.00 0.00 C ATOM 367 O ASP A 25 -3.146 -2.879 -5.967 1.00 0.00 O ATOM 368 CB ASP A 25 -0.962 -2.303 -7.588 1.00 0.00 C ATOM 369 CG ASP A 25 -0.721 -1.705 -8.955 1.00 0.00 C ATOM 370 OD1 ASP A 25 -1.707 -1.421 -9.669 1.00 0.00 O ATOM 371 OD2 ASP A 25 0.457 -1.514 -9.329 1.00 0.00 O ATOM 0 H ASP A 25 -0.291 0.344 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.967 -0.468 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.036 -2.746 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.691 -3.109 -7.671 1.00 0.00 H new ATOM 376 N SER A 26 -2.567 -1.346 -4.429 1.00 0.00 N ATOM 377 CA SER A 26 -3.508 -1.814 -3.428 1.00 0.00 C ATOM 378 C SER A 26 -3.958 -0.647 -2.568 1.00 0.00 C ATOM 379 O SER A 26 -3.375 0.435 -2.630 1.00 0.00 O ATOM 380 CB SER A 26 -2.870 -2.900 -2.556 1.00 0.00 C ATOM 381 OG SER A 26 -1.500 -3.073 -2.876 1.00 0.00 O ATOM 0 H SER A 26 -2.002 -0.551 -4.130 1.00 0.00 H new ATOM 0 HA SER A 26 -4.374 -2.245 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.970 -2.631 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.401 -3.842 -2.696 1.00 0.00 H new ATOM 0 HG SER A 26 -1.019 -2.233 -2.721 1.00 0.00 H new ATOM 387 N TYR A 27 -4.978 -0.863 -1.761 1.00 0.00 N ATOM 388 CA TYR A 27 -5.463 0.176 -0.873 1.00 0.00 C ATOM 389 C TYR A 27 -5.140 -0.186 0.573 1.00 0.00 C ATOM 390 O TYR A 27 -4.929 -1.357 0.895 1.00 0.00 O ATOM 391 CB TYR A 27 -6.964 0.406 -1.067 1.00 0.00 C ATOM 392 CG TYR A 27 -7.395 0.545 -2.518 1.00 0.00 C ATOM 393 CD1 TYR A 27 -6.591 1.182 -3.469 1.00 0.00 C ATOM 394 CD2 TYR A 27 -8.617 0.037 -2.937 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.001 1.300 -4.784 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.028 0.153 -4.250 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.219 0.785 -5.167 1.00 0.00 C ATOM 398 OH TYR A 27 -8.632 0.902 -6.477 1.00 0.00 O ATOM 0 H TYR A 27 -5.486 -1.746 -1.701 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.958 1.111 -1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.508 -0.425 -0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.254 1.307 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.635 1.588 -3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.258 -0.458 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.369 1.794 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.981 -0.251 -4.557 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.513 0.485 -6.581 1.00 0.00 H new ATOM 408 N TRP A 28 -4.939 0.838 1.386 1.00 0.00 N ATOM 409 CA TRP A 28 -4.461 0.685 2.753 1.00 0.00 C ATOM 410 C TRP A 28 -5.108 1.736 3.645 1.00 0.00 C ATOM 411 O TRP A 28 -5.705 2.695 3.151 1.00 0.00 O ATOM 412 CB TRP A 28 -2.929 0.874 2.827 1.00 0.00 C ATOM 413 CG TRP A 28 -2.135 0.067 1.839 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.053 0.268 0.491 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.280 -1.046 2.128 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.238 -0.677 -0.078 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.746 -1.489 0.905 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.923 -1.717 3.300 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.125 -2.570 0.821 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.055 -2.789 3.215 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.458 -3.208 1.983 1.00 0.00 C ATOM 0 H TRP A 28 -5.104 1.807 1.115 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.722 -0.319 3.087 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.702 1.929 2.676 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.596 0.617 3.833 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.557 1.056 -0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.032 -0.760 -1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.318 -1.404 4.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.524 -2.894 -0.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.232 -3.312 4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.131 -4.052 1.949 1.00 0.00 H new ATOM 432 N HIS A 29 -4.787 1.684 4.926 1.00 0.00 N ATOM 433 CA HIS A 29 -5.126 2.770 5.830 1.00 0.00 C ATOM 434 C HIS A 29 -3.884 3.624 6.046 1.00 0.00 C ATOM 435 O HIS A 29 -2.802 3.274 5.576 1.00 0.00 O ATOM 436 CB HIS A 29 -5.639 2.236 7.169 1.00 0.00 C ATOM 437 CG HIS A 29 -7.078 1.816 7.151 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.439 0.496 7.171 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.201 2.574 7.138 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.757 0.466 7.175 1.00 0.00 C ATOM 441 NE2 HIS A 29 -9.271 1.709 7.156 1.00 0.00 N ATOM 0 H HIS A 29 -4.294 0.905 5.363 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.923 3.368 5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.027 1.384 7.467 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.506 3.005 7.930 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.248 3.653 7.117 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.347 -0.438 7.191 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.259 1.961 7.155 1.00 0.00 H new ATOM 449 N SER A 30 -4.038 4.735 6.748 1.00 0.00 N ATOM 450 CA SER A 30 -2.927 5.644 6.996 1.00 0.00 C ATOM 451 C SER A 30 -1.800 4.952 7.764 1.00 0.00 C ATOM 452 O SER A 30 -0.626 5.086 7.414 1.00 0.00 O ATOM 453 CB SER A 30 -3.428 6.859 7.770 1.00 0.00 C ATOM 454 OG SER A 30 -4.844 6.833 7.879 1.00 0.00 O ATOM 0 H SER A 30 -4.924 5.031 7.158 1.00 0.00 H new ATOM 0 HA SER A 30 -2.522 5.964 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.981 6.873 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.113 7.773 7.266 1.00 0.00 H new ATOM 0 HG SER A 30 -5.104 6.246 8.619 1.00 0.00 H new ATOM 460 N ARG A 31 -2.163 4.227 8.814 1.00 0.00 N ATOM 461 CA ARG A 31 -1.174 3.535 9.635 1.00 0.00 C ATOM 462 C ARG A 31 -0.994 2.088 9.184 1.00 0.00 C ATOM 463 O ARG A 31 -0.060 1.410 9.613 1.00 0.00 O ATOM 464 CB ARG A 31 -1.574 3.582 11.108 1.00 0.00 C ATOM 465 CG ARG A 31 -0.437 3.245 12.063 1.00 0.00 C ATOM 466 CD ARG A 31 -0.919 3.151 13.503 1.00 0.00 C ATOM 467 NE ARG A 31 -2.314 2.719 13.599 1.00 0.00 N ATOM 468 CZ ARG A 31 -2.688 1.467 13.848 1.00 0.00 C ATOM 469 NH1 ARG A 31 -1.769 0.514 13.984 1.00 0.00 N ATOM 470 NH2 ARG A 31 -3.978 1.165 13.944 1.00 0.00 N ATOM 0 H ARG A 31 -3.129 4.102 9.117 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.221 4.049 9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.949 4.578 11.342 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.395 2.885 11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.017 2.299 11.769 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.339 4.007 11.988 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.287 2.451 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.809 4.123 13.984 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.043 3.420 13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.779 0.744 13.897 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.055 -0.446 14.175 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.682 1.893 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.264 0.205 14.135 1.00 0.00 H new ATOM 484 N CYS A 32 -1.856 1.634 8.285 1.00 0.00 N ATOM 485 CA CYS A 32 -1.736 0.291 7.741 1.00 0.00 C ATOM 486 C CYS A 32 -0.655 0.258 6.672 1.00 0.00 C ATOM 487 O CYS A 32 0.087 -0.721 6.553 1.00 0.00 O ATOM 488 CB CYS A 32 -3.061 -0.170 7.150 1.00 0.00 C ATOM 489 SG CYS A 32 -4.341 -0.552 8.386 1.00 0.00 S ATOM 0 H CYS A 32 -2.641 2.173 7.919 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.463 -0.386 8.551 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.437 0.606 6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.885 -1.057 6.541 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.514 -0.281 7.894 1.00 0.00 H new ATOM 494 N LEU A 33 -0.507 1.376 5.975 1.00 0.00 N ATOM 495 CA LEU A 33 0.561 1.531 5.005 1.00 0.00 C ATOM 496 C LEU A 33 1.852 1.893 5.725 1.00 0.00 C ATOM 497 O LEU A 33 2.285 3.048 5.730 1.00 0.00 O ATOM 498 CB LEU A 33 0.208 2.602 3.967 1.00 0.00 C ATOM 499 CG LEU A 33 0.894 2.453 2.597 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.953 3.523 2.412 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.515 1.074 2.435 1.00 0.00 C ATOM 0 H LEU A 33 -1.116 2.189 6.066 1.00 0.00 H new ATOM 0 HA LEU A 33 0.695 0.587 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.871 2.594 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.465 3.579 4.377 1.00 0.00 H new ATOM 0 HG LEU A 33 0.128 2.574 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.427 3.401 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.489 4.508 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.705 3.430 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.991 1.002 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.261 0.917 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.739 0.313 2.518 1.00 0.00 H new ATOM 513 N LYS A 34 2.434 0.901 6.371 1.00 0.00 N ATOM 514 CA LYS A 34 3.667 1.086 7.106 1.00 0.00 C ATOM 515 C LYS A 34 4.797 0.340 6.416 1.00 0.00 C ATOM 516 O LYS A 34 4.560 -0.544 5.590 1.00 0.00 O ATOM 517 CB LYS A 34 3.522 0.605 8.559 1.00 0.00 C ATOM 518 CG LYS A 34 2.521 -0.528 8.741 1.00 0.00 C ATOM 519 CD LYS A 34 3.199 -1.888 8.701 1.00 0.00 C ATOM 520 CE LYS A 34 2.851 -2.643 7.429 1.00 0.00 C ATOM 521 NZ LYS A 34 2.065 -3.870 7.711 1.00 0.00 N ATOM 0 H LYS A 34 2.067 -0.050 6.400 1.00 0.00 H new ATOM 0 HA LYS A 34 3.899 2.151 7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.496 0.276 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.219 1.447 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.003 -0.407 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.765 -0.475 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.279 -1.760 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.895 -2.474 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.282 -1.992 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.768 -2.912 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.848 -4.356 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.617 -4.503 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.178 -3.612 8.189 1.00 0.00 H new ATOM 535 N CYS A 35 6.013 0.728 6.741 1.00 0.00 N ATOM 536 CA CYS A 35 7.202 0.141 6.156 1.00 0.00 C ATOM 537 C CYS A 35 7.340 -1.336 6.517 1.00 0.00 C ATOM 538 O CYS A 35 6.771 -1.811 7.505 1.00 0.00 O ATOM 539 CB CYS A 35 8.405 0.902 6.676 1.00 0.00 C ATOM 540 SG CYS A 35 9.919 0.762 5.688 1.00 0.00 S ATOM 0 H CYS A 35 6.206 1.463 7.422 1.00 0.00 H new ATOM 0 HA CYS A 35 7.132 0.208 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.139 1.956 6.750 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.621 0.556 7.687 1.00 0.00 H new ATOM 0 HG CYS A 35 10.507 1.920 5.628 1.00 0.00 H new ATOM 545 N SER A 36 8.196 -2.023 5.784 1.00 0.00 N ATOM 546 CA SER A 36 8.505 -3.411 6.077 1.00 0.00 C ATOM 547 C SER A 36 9.720 -3.508 6.994 1.00 0.00 C ATOM 548 O SER A 36 9.972 -4.553 7.592 1.00 0.00 O ATOM 549 CB SER A 36 8.753 -4.186 4.784 1.00 0.00 C ATOM 550 OG SER A 36 7.666 -4.035 3.884 1.00 0.00 O ATOM 0 H SER A 36 8.692 -1.641 4.978 1.00 0.00 H new ATOM 0 HA SER A 36 7.650 -3.852 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.671 -3.832 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.898 -5.242 5.011 1.00 0.00 H new ATOM 0 HG SER A 36 7.649 -3.117 3.542 1.00 0.00 H new ATOM 556 N SER A 37 10.462 -2.414 7.117 1.00 0.00 N ATOM 557 CA SER A 37 11.635 -2.397 7.976 1.00 0.00 C ATOM 558 C SER A 37 11.393 -1.559 9.230 1.00 0.00 C ATOM 559 O SER A 37 11.333 -2.094 10.336 1.00 0.00 O ATOM 560 CB SER A 37 12.850 -1.869 7.209 1.00 0.00 C ATOM 561 OG SER A 37 12.901 -2.400 5.895 1.00 0.00 O ATOM 0 H SER A 37 10.273 -1.535 6.636 1.00 0.00 H new ATOM 0 HA SER A 37 11.834 -3.421 8.291 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.808 -0.781 7.162 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.763 -2.130 7.745 1.00 0.00 H new ATOM 0 HG SER A 37 13.686 -2.044 5.429 1.00 0.00 H new ATOM 567 N CYS A 38 11.341 -0.241 9.070 1.00 0.00 N ATOM 568 CA CYS A 38 11.233 0.659 10.211 1.00 0.00 C ATOM 569 C CYS A 38 9.791 0.761 10.724 1.00 0.00 C ATOM 570 O CYS A 38 9.558 1.162 11.866 1.00 0.00 O ATOM 571 CB CYS A 38 11.766 2.046 9.829 1.00 0.00 C ATOM 572 SG CYS A 38 10.704 2.980 8.675 1.00 0.00 S ATOM 0 H CYS A 38 11.372 0.226 8.164 1.00 0.00 H new ATOM 0 HA CYS A 38 11.836 0.249 11.021 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.896 2.633 10.738 1.00 0.00 H new ATOM 0 HB3 CYS A 38 12.753 1.930 9.381 1.00 0.00 H new ATOM 0 HG CYS A 38 10.495 2.270 7.606 1.00 0.00 H new ATOM 577 N GLN A 39 8.838 0.437 9.851 1.00 0.00 N ATOM 578 CA GLN A 39 7.403 0.519 10.154 1.00 0.00 C ATOM 579 C GLN A 39 6.955 1.959 10.394 1.00 0.00 C ATOM 580 O GLN A 39 5.876 2.194 10.942 1.00 0.00 O ATOM 581 CB GLN A 39 7.026 -0.347 11.360 1.00 0.00 C ATOM 582 CG GLN A 39 6.458 -1.704 10.981 1.00 0.00 C ATOM 583 CD GLN A 39 7.506 -2.796 11.007 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.950 -3.221 12.071 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.905 -3.257 9.835 1.00 0.00 N ATOM 0 H GLN A 39 9.037 0.108 8.906 1.00 0.00 H new ATOM 0 HA GLN A 39 6.883 0.136 9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.909 -0.493 11.982 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.294 0.187 11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.651 -1.962 11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.022 -1.647 9.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.510 -2.876 8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.608 -3.994 9.790 1.00 0.00 H new ATOM 594 N ALA A 40 7.748 2.917 9.931 1.00 0.00 N ATOM 595 CA ALA A 40 7.391 4.311 10.047 1.00 0.00 C ATOM 596 C ALA A 40 6.223 4.621 9.136 1.00 0.00 C ATOM 597 O ALA A 40 6.227 4.272 7.956 1.00 0.00 O ATOM 598 CB ALA A 40 8.571 5.214 9.725 1.00 0.00 C ATOM 0 H ALA A 40 8.643 2.746 9.472 1.00 0.00 H new ATOM 0 HA ALA A 40 7.100 4.504 11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.268 6.257 9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.387 5.007 10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.905 5.026 8.705 1.00 0.00 H new ATOM 604 N GLN A 41 5.191 5.159 9.743 1.00 0.00 N ATOM 605 CA GLN A 41 3.940 5.469 9.060 1.00 0.00 C ATOM 606 C GLN A 41 4.199 6.288 7.800 1.00 0.00 C ATOM 607 O GLN A 41 4.532 7.473 7.875 1.00 0.00 O ATOM 608 CB GLN A 41 3.017 6.243 10.003 1.00 0.00 C ATOM 609 CG GLN A 41 1.563 5.821 9.921 1.00 0.00 C ATOM 610 CD GLN A 41 0.623 6.892 10.440 1.00 0.00 C ATOM 611 OE1 GLN A 41 -0.016 7.604 9.665 1.00 0.00 O ATOM 612 NE2 GLN A 41 0.530 7.017 11.757 1.00 0.00 N ATOM 0 H GLN A 41 5.188 5.399 10.734 1.00 0.00 H new ATOM 0 HA GLN A 41 3.462 4.534 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.366 6.111 11.027 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.090 7.307 9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.312 5.591 8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.420 4.906 10.495 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.076 6.408 12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.087 7.722 12.160 1.00 0.00 H new ATOM 621 N LEU A 42 4.115 5.630 6.651 1.00 0.00 N ATOM 622 CA LEU A 42 4.422 6.264 5.379 1.00 0.00 C ATOM 623 C LEU A 42 3.352 7.286 5.006 1.00 0.00 C ATOM 624 O LEU A 42 3.606 8.225 4.251 1.00 0.00 O ATOM 625 CB LEU A 42 4.553 5.205 4.286 1.00 0.00 C ATOM 626 CG LEU A 42 5.930 4.542 4.182 1.00 0.00 C ATOM 627 CD1 LEU A 42 5.793 3.067 3.832 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.789 5.256 3.149 1.00 0.00 C ATOM 0 H LEU A 42 3.835 4.652 6.576 1.00 0.00 H new ATOM 0 HA LEU A 42 5.371 6.792 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.807 4.430 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.315 5.665 3.327 1.00 0.00 H new ATOM 0 HG LEU A 42 6.420 4.619 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.783 2.616 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.217 2.561 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.281 2.966 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.764 4.771 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.300 5.211 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.919 6.298 3.442 1.00 0.00 H new ATOM 640 N GLY A 43 2.181 7.150 5.607 1.00 0.00 N ATOM 641 CA GLY A 43 1.130 8.117 5.386 1.00 0.00 C ATOM 642 C GLY A 43 1.379 9.401 6.149 1.00 0.00 C ATOM 643 O GLY A 43 1.031 10.487 5.683 1.00 0.00 O ATOM 0 H GLY A 43 1.941 6.389 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.055 8.336 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.174 7.692 5.692 1.00 0.00 H new ATOM 647 N ASP A 44 1.989 9.275 7.320 1.00 0.00 N ATOM 648 CA ASP A 44 2.255 10.424 8.182 1.00 0.00 C ATOM 649 C ASP A 44 3.440 11.243 7.680 1.00 0.00 C ATOM 650 O ASP A 44 3.538 12.434 7.961 1.00 0.00 O ATOM 651 CB ASP A 44 2.516 9.967 9.618 1.00 0.00 C ATOM 652 CG ASP A 44 2.665 11.127 10.585 1.00 0.00 C ATOM 653 OD1 ASP A 44 1.701 11.904 10.750 1.00 0.00 O ATOM 654 OD2 ASP A 44 3.745 11.261 11.196 1.00 0.00 O ATOM 0 H ASP A 44 2.311 8.384 7.698 1.00 0.00 H new ATOM 0 HA ASP A 44 1.369 11.059 8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.696 9.329 9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.421 9.360 9.643 1.00 0.00 H new ATOM 659 N ILE A 45 4.349 10.605 6.951 1.00 0.00 N ATOM 660 CA ILE A 45 5.525 11.304 6.442 1.00 0.00 C ATOM 661 C ILE A 45 5.181 12.114 5.193 1.00 0.00 C ATOM 662 O ILE A 45 5.895 13.050 4.834 1.00 0.00 O ATOM 663 CB ILE A 45 6.696 10.345 6.130 1.00 0.00 C ATOM 664 CG1 ILE A 45 6.311 9.342 5.041 1.00 0.00 C ATOM 665 CG2 ILE A 45 7.139 9.616 7.391 1.00 0.00 C ATOM 666 CD1 ILE A 45 7.495 8.636 4.415 1.00 0.00 C ATOM 0 H ILE A 45 4.297 9.617 6.701 1.00 0.00 H new ATOM 0 HA ILE A 45 5.848 11.978 7.236 1.00 0.00 H new ATOM 0 HB ILE A 45 7.530 10.942 5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.639 8.597 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.756 9.862 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.964 8.945 7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.465 10.342 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.305 9.038 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.143 7.941 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.157 9.371 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.039 8.086 5.183 1.00 0.00 H new ATOM 677 N GLY A 46 4.046 11.791 4.580 1.00 0.00 N ATOM 678 CA GLY A 46 3.581 12.539 3.425 1.00 0.00 C ATOM 679 C GLY A 46 4.537 12.452 2.254 1.00 0.00 C ATOM 680 O GLY A 46 4.877 13.462 1.638 1.00 0.00 O ATOM 0 H GLY A 46 3.438 11.022 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.604 12.162 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.447 13.584 3.703 1.00 0.00 H new ATOM 684 N THR A 47 4.998 11.248 1.966 1.00 0.00 N ATOM 685 CA THR A 47 5.920 11.028 0.867 1.00 0.00 C ATOM 686 C THR A 47 5.582 9.731 0.148 1.00 0.00 C ATOM 687 O THR A 47 4.601 9.072 0.489 1.00 0.00 O ATOM 688 CB THR A 47 7.378 10.978 1.363 1.00 0.00 C ATOM 689 OG1 THR A 47 7.472 11.561 2.672 1.00 0.00 O ATOM 690 CG2 THR A 47 8.307 11.717 0.410 1.00 0.00 C ATOM 0 H THR A 47 4.747 10.404 2.481 1.00 0.00 H new ATOM 0 HA THR A 47 5.819 11.864 0.176 1.00 0.00 H new ATOM 0 HB THR A 47 7.684 9.933 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.401 11.524 2.981 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.329 11.665 0.785 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.259 11.255 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.999 12.760 0.338 1.00 0.00 H new ATOM 698 N SER A 48 6.346 9.408 -0.883 1.00 0.00 N ATOM 699 CA SER A 48 6.090 8.232 -1.689 1.00 0.00 C ATOM 700 C SER A 48 6.915 7.043 -1.213 1.00 0.00 C ATOM 701 O SER A 48 7.943 7.210 -0.554 1.00 0.00 O ATOM 702 CB SER A 48 6.421 8.544 -3.143 1.00 0.00 C ATOM 703 OG SER A 48 7.001 9.836 -3.258 1.00 0.00 O ATOM 0 H SER A 48 7.156 9.952 -1.181 1.00 0.00 H new ATOM 0 HA SER A 48 5.037 7.966 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.109 7.794 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.515 8.491 -3.747 1.00 0.00 H new ATOM 0 HG SER A 48 7.803 9.786 -3.818 1.00 0.00 H new ATOM 709 N SER A 49 6.501 5.853 -1.621 1.00 0.00 N ATOM 710 CA SER A 49 7.242 4.642 -1.331 1.00 0.00 C ATOM 711 C SER A 49 7.848 4.096 -2.622 1.00 0.00 C ATOM 712 O SER A 49 7.737 4.723 -3.677 1.00 0.00 O ATOM 713 CB SER A 49 6.316 3.607 -0.689 1.00 0.00 C ATOM 714 OG SER A 49 5.019 3.655 -1.264 1.00 0.00 O ATOM 0 H SER A 49 5.647 5.703 -2.159 1.00 0.00 H new ATOM 0 HA SER A 49 8.047 4.864 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.737 2.610 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.249 3.790 0.383 1.00 0.00 H new ATOM 0 HG SER A 49 4.447 2.983 -0.838 1.00 0.00 H new ATOM 720 N TYR A 50 8.469 2.930 -2.543 1.00 0.00 N ATOM 721 CA TYR A 50 9.059 2.303 -3.718 1.00 0.00 C ATOM 722 C TYR A 50 8.553 0.869 -3.865 1.00 0.00 C ATOM 723 O TYR A 50 8.203 0.229 -2.869 1.00 0.00 O ATOM 724 CB TYR A 50 10.583 2.305 -3.603 1.00 0.00 C ATOM 725 CG TYR A 50 11.237 3.615 -3.983 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.276 4.037 -5.307 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.836 4.418 -3.020 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.895 5.220 -5.658 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.452 5.605 -3.365 1.00 0.00 C ATOM 730 CZ TYR A 50 12.481 6.000 -4.685 1.00 0.00 C ATOM 731 OH TYR A 50 13.096 7.181 -5.031 1.00 0.00 O ATOM 0 H TYR A 50 8.578 2.398 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 50 8.766 2.872 -4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.858 2.060 -2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.984 1.515 -4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.815 3.430 -6.072 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.820 4.109 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 50 11.920 5.533 -6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.909 6.221 -2.604 1.00 0.00 H new ATOM 0 HH TYR A 50 12.429 7.898 -5.070 1.00 0.00 H new ATOM 741 N THR A 51 8.568 0.347 -5.086 1.00 0.00 N ATOM 742 CA THR A 51 8.133 -1.019 -5.346 1.00 0.00 C ATOM 743 C THR A 51 9.308 -1.928 -5.700 1.00 0.00 C ATOM 744 O THR A 51 9.854 -1.860 -6.802 1.00 0.00 O ATOM 745 CB THR A 51 7.103 -1.075 -6.489 1.00 0.00 C ATOM 746 OG1 THR A 51 6.473 0.200 -6.648 1.00 0.00 O ATOM 747 CG2 THR A 51 6.050 -2.134 -6.218 1.00 0.00 C ATOM 0 H THR A 51 8.879 0.853 -5.915 1.00 0.00 H new ATOM 0 HA THR A 51 7.671 -1.373 -4.425 1.00 0.00 H new ATOM 0 HB THR A 51 7.630 -1.335 -7.407 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.821 0.154 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.334 -2.154 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.529 -3.109 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.530 -1.900 -5.289 1.00 0.00 H new ATOM 755 N LYS A 52 9.621 -2.847 -4.798 1.00 0.00 N ATOM 756 CA LYS A 52 10.641 -3.857 -5.048 1.00 0.00 C ATOM 757 C LYS A 52 10.397 -5.063 -4.154 1.00 0.00 C ATOM 758 O LYS A 52 10.118 -4.902 -2.962 1.00 0.00 O ATOM 759 CB LYS A 52 12.053 -3.304 -4.808 1.00 0.00 C ATOM 760 CG LYS A 52 12.269 -2.745 -3.414 1.00 0.00 C ATOM 761 CD LYS A 52 12.239 -1.230 -3.409 1.00 0.00 C ATOM 762 CE LYS A 52 11.404 -0.704 -2.257 1.00 0.00 C ATOM 763 NZ LYS A 52 10.155 -1.489 -2.084 1.00 0.00 N ATOM 0 H LYS A 52 9.180 -2.914 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 52 10.573 -4.155 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.778 -4.098 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.254 -2.520 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.498 -3.127 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.227 -3.092 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.255 -0.843 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.831 -0.868 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.988 -0.741 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.155 0.342 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.337 -0.847 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.067 -2.177 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.185 -1.994 -1.175 1.00 0.00 H new ATOM 777 N SER A 53 10.471 -6.256 -4.740 1.00 0.00 N ATOM 778 CA SER A 53 10.288 -7.512 -4.004 1.00 0.00 C ATOM 779 C SER A 53 8.907 -7.605 -3.347 1.00 0.00 C ATOM 780 O SER A 53 8.688 -8.436 -2.465 1.00 0.00 O ATOM 781 CB SER A 53 11.377 -7.648 -2.934 1.00 0.00 C ATOM 782 OG SER A 53 12.603 -7.081 -3.379 1.00 0.00 O ATOM 0 H SER A 53 10.659 -6.383 -5.735 1.00 0.00 H new ATOM 0 HA SER A 53 10.364 -8.326 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.055 -7.153 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.525 -8.701 -2.693 1.00 0.00 H new ATOM 0 HG SER A 53 13.282 -7.178 -2.679 1.00 0.00 H new ATOM 788 N GLY A 54 8.004 -6.697 -3.715 1.00 0.00 N ATOM 789 CA GLY A 54 6.711 -6.622 -3.057 1.00 0.00 C ATOM 790 C GLY A 54 6.846 -6.147 -1.619 1.00 0.00 C ATOM 791 O GLY A 54 5.897 -6.204 -0.840 1.00 0.00 O ATOM 0 H GLY A 54 8.146 -6.012 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.060 -5.942 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.235 -7.602 -3.075 1.00 0.00 H new ATOM 795 N MET A 55 8.056 -5.725 -1.271 1.00 0.00 N ATOM 796 CA MET A 55 8.386 -5.308 0.081 1.00 0.00 C ATOM 797 C MET A 55 8.377 -3.792 0.188 1.00 0.00 C ATOM 798 O MET A 55 9.313 -3.126 -0.255 1.00 0.00 O ATOM 799 CB MET A 55 9.769 -5.839 0.450 1.00 0.00 C ATOM 800 CG MET A 55 9.891 -6.302 1.891 1.00 0.00 C ATOM 801 SD MET A 55 11.605 -6.368 2.454 1.00 0.00 S ATOM 802 CE MET A 55 12.465 -6.756 0.925 1.00 0.00 C ATOM 0 H MET A 55 8.837 -5.663 -1.924 1.00 0.00 H new ATOM 0 HA MET A 55 7.640 -5.710 0.767 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.015 -6.671 -0.210 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.507 -5.058 0.267 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.326 -5.628 2.535 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.441 -7.290 1.991 1.00 0.00 H new ATOM 0 HE1 MET A 55 13.478 -7.088 1.152 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.932 -7.548 0.399 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.507 -5.867 0.296 1.00 0.00 H new ATOM 812 N ILE A 56 7.298 -3.257 0.726 1.00 0.00 N ATOM 813 CA ILE A 56 7.130 -1.815 0.852 1.00 0.00 C ATOM 814 C ILE A 56 8.191 -1.213 1.766 1.00 0.00 C ATOM 815 O ILE A 56 8.297 -1.576 2.935 1.00 0.00 O ATOM 816 CB ILE A 56 5.720 -1.462 1.378 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.673 -1.863 0.340 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.608 0.024 1.704 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.266 -1.458 0.701 1.00 0.00 C ATOM 0 H ILE A 56 6.515 -3.802 1.087 1.00 0.00 H new ATOM 0 HA ILE A 56 7.248 -1.388 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 56 5.544 -2.015 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.935 -1.414 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.706 -2.944 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.605 0.241 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.339 0.285 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.800 0.609 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.582 -1.778 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.982 -1.928 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.215 -0.374 0.807 1.00 0.00 H new ATOM 830 N LEU A 57 8.965 -0.284 1.221 1.00 0.00 N ATOM 831 CA LEU A 57 9.996 0.404 1.991 1.00 0.00 C ATOM 832 C LEU A 57 9.801 1.905 1.894 1.00 0.00 C ATOM 833 O LEU A 57 9.254 2.396 0.900 1.00 0.00 O ATOM 834 CB LEU A 57 11.398 0.053 1.477 1.00 0.00 C ATOM 835 CG LEU A 57 11.723 -1.437 1.391 1.00 0.00 C ATOM 836 CD1 LEU A 57 13.052 -1.646 0.678 1.00 0.00 C ATOM 837 CD2 LEU A 57 11.756 -2.058 2.779 1.00 0.00 C ATOM 0 H LEU A 57 8.899 0.012 0.247 1.00 0.00 H new ATOM 0 HA LEU A 57 9.908 0.080 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.520 0.490 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.132 0.528 2.128 1.00 0.00 H new ATOM 0 HG LEU A 57 10.940 -1.931 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.272 -2.712 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.993 -1.236 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.844 -1.140 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.989 -3.120 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.519 -1.564 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.783 -1.936 3.256 1.00 0.00 H new ATOM 849 N CYS A 58 10.342 2.631 2.863 1.00 0.00 N ATOM 850 CA CYS A 58 10.323 4.078 2.820 1.00 0.00 C ATOM 851 C CYS A 58 11.417 4.575 1.880 1.00 0.00 C ATOM 852 O CYS A 58 12.268 3.796 1.443 1.00 0.00 O ATOM 853 CB CYS A 58 10.519 4.661 4.228 1.00 0.00 C ATOM 854 SG CYS A 58 11.968 4.010 5.129 1.00 0.00 S ATOM 0 H CYS A 58 10.798 2.237 3.686 1.00 0.00 H new ATOM 0 HA CYS A 58 9.354 4.410 2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.615 5.744 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.623 4.463 4.816 1.00 0.00 H new ATOM 0 HG CYS A 58 11.605 3.630 6.318 1.00 0.00 H new ATOM 859 N ARG A 59 11.444 5.875 1.631 1.00 0.00 N ATOM 860 CA ARG A 59 12.487 6.472 0.809 1.00 0.00 C ATOM 861 C ARG A 59 13.827 6.430 1.540 1.00 0.00 C ATOM 862 O ARG A 59 14.883 6.585 0.934 1.00 0.00 O ATOM 863 CB ARG A 59 12.129 7.918 0.455 1.00 0.00 C ATOM 864 CG ARG A 59 11.623 8.097 -0.968 1.00 0.00 C ATOM 865 CD ARG A 59 12.589 8.924 -1.808 1.00 0.00 C ATOM 866 NE ARG A 59 12.643 10.321 -1.373 1.00 0.00 N ATOM 867 CZ ARG A 59 11.879 11.294 -1.882 1.00 0.00 C ATOM 868 NH1 ARG A 59 11.060 11.041 -2.896 1.00 0.00 N ATOM 869 NH2 ARG A 59 11.961 12.528 -1.400 1.00 0.00 N ATOM 0 H ARG A 59 10.755 6.538 1.986 1.00 0.00 H new ATOM 0 HA ARG A 59 12.569 5.897 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.367 8.273 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.009 8.545 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.483 7.120 -1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.648 8.584 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.586 8.488 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.286 8.882 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 59 13.304 10.568 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.011 10.101 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.479 11.786 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.608 12.736 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.377 13.268 -1.790 1.00 0.00 H new ATOM 883 N ASN A 60 13.773 6.188 2.845 1.00 0.00 N ATOM 884 CA ASN A 60 14.977 6.109 3.662 1.00 0.00 C ATOM 885 C ASN A 60 15.502 4.678 3.716 1.00 0.00 C ATOM 886 O ASN A 60 16.691 4.432 3.498 1.00 0.00 O ATOM 887 CB ASN A 60 14.688 6.607 5.078 1.00 0.00 C ATOM 888 CG ASN A 60 15.915 7.185 5.754 1.00 0.00 C ATOM 889 OD1 ASN A 60 16.494 8.166 5.288 1.00 0.00 O ATOM 890 ND2 ASN A 60 16.321 6.584 6.860 1.00 0.00 N ATOM 0 H ASN A 60 12.905 6.043 3.361 1.00 0.00 H new ATOM 0 HA ASN A 60 15.738 6.742 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.907 7.366 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.302 5.783 5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.141 6.932 7.358 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.814 5.773 7.215 1.00 0.00 H new ATOM 897 N ASP A 61 14.612 3.738 4.019 1.00 0.00 N ATOM 898 CA ASP A 61 14.986 2.329 4.138 1.00 0.00 C ATOM 899 C ASP A 61 15.352 1.755 2.784 1.00 0.00 C ATOM 900 O ASP A 61 16.176 0.848 2.686 1.00 0.00 O ATOM 901 CB ASP A 61 13.855 1.512 4.760 1.00 0.00 C ATOM 902 CG ASP A 61 13.937 1.487 6.270 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.060 1.661 6.811 1.00 0.00 O ATOM 904 OD2 ASP A 61 12.902 1.266 6.931 1.00 0.00 O ATOM 0 H ASP A 61 13.624 3.925 4.187 1.00 0.00 H new ATOM 0 HA ASP A 61 15.856 2.272 4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.896 1.931 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.893 0.492 4.378 1.00 0.00 H new ATOM 909 N TYR A 62 14.796 2.342 1.735 1.00 0.00 N ATOM 910 CA TYR A 62 15.145 1.958 0.380 1.00 0.00 C ATOM 911 C TYR A 62 16.640 2.138 0.156 1.00 0.00 C ATOM 912 O TYR A 62 17.291 1.291 -0.448 1.00 0.00 O ATOM 913 CB TYR A 62 14.366 2.798 -0.636 1.00 0.00 C ATOM 914 CG TYR A 62 14.774 2.540 -2.064 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.233 1.483 -2.770 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.712 3.344 -2.698 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.606 1.230 -4.072 1.00 0.00 C ATOM 918 CE2 TYR A 62 16.094 3.102 -4.000 1.00 0.00 C ATOM 919 CZ TYR A 62 15.539 2.040 -4.685 1.00 0.00 C ATOM 920 OH TYR A 62 15.911 1.791 -5.984 1.00 0.00 O ATOM 0 H TYR A 62 14.101 3.086 1.798 1.00 0.00 H new ATOM 0 HA TYR A 62 14.883 0.909 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.301 2.591 -0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.510 3.854 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.505 0.844 -2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.150 4.173 -2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.170 0.401 -4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.822 3.739 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 62 16.576 2.453 -6.267 1.00 0.00 H new ATOM 930 N ILE A 63 17.184 3.229 0.683 1.00 0.00 N ATOM 931 CA ILE A 63 18.606 3.510 0.552 1.00 0.00 C ATOM 932 C ILE A 63 19.424 2.577 1.439 1.00 0.00 C ATOM 933 O ILE A 63 20.573 2.265 1.135 1.00 0.00 O ATOM 934 CB ILE A 63 18.943 4.978 0.907 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.884 5.933 0.343 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.325 5.349 0.384 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.759 5.892 -1.167 1.00 0.00 C ATOM 0 H ILE A 63 16.661 3.932 1.205 1.00 0.00 H new ATOM 0 HA ILE A 63 18.865 3.343 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 63 18.944 5.073 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.918 5.689 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.127 6.950 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.546 6.385 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.072 4.695 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.347 5.233 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.990 6.595 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.712 6.166 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.485 4.885 -1.482 1.00 0.00 H new ATOM 948 N ARG A 64 18.802 2.092 2.505 1.00 0.00 N ATOM 949 CA ARG A 64 19.456 1.167 3.419 1.00 0.00 C ATOM 950 C ARG A 64 19.631 -0.205 2.774 1.00 0.00 C ATOM 951 O ARG A 64 20.633 -0.882 3.000 1.00 0.00 O ATOM 952 CB ARG A 64 18.649 1.026 4.714 1.00 0.00 C ATOM 953 CG ARG A 64 18.566 2.305 5.527 1.00 0.00 C ATOM 954 CD ARG A 64 18.993 2.076 6.969 1.00 0.00 C ATOM 955 NE ARG A 64 18.644 3.203 7.833 1.00 0.00 N ATOM 956 CZ ARG A 64 19.359 4.325 7.921 1.00 0.00 C ATOM 957 NH1 ARG A 64 20.487 4.456 7.233 1.00 0.00 N ATOM 958 NH2 ARG A 64 18.958 5.306 8.722 1.00 0.00 N ATOM 0 H ARG A 64 17.842 2.325 2.758 1.00 0.00 H new ATOM 0 HA ARG A 64 20.440 1.573 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.639 0.697 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.098 0.245 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.201 3.067 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 64 17.545 2.686 5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.519 1.170 7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 64 20.070 1.912 7.006 1.00 0.00 H new ATOM 0 HE ARG A 64 17.802 3.126 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.810 3.696 6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.030 5.316 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.104 5.201 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.504 6.165 8.790 1.00 0.00 H new ATOM 972 N LEU A 65 18.609 -0.646 2.051 1.00 0.00 N ATOM 973 CA LEU A 65 18.605 -1.992 1.483 1.00 0.00 C ATOM 974 C LEU A 65 19.069 -2.008 0.029 1.00 0.00 C ATOM 975 O LEU A 65 19.861 -2.861 -0.367 1.00 0.00 O ATOM 976 CB LEU A 65 17.204 -2.602 1.578 1.00 0.00 C ATOM 977 CG LEU A 65 16.627 -2.693 2.991 1.00 0.00 C ATOM 978 CD1 LEU A 65 15.356 -3.528 2.995 1.00 0.00 C ATOM 979 CD2 LEU A 65 17.651 -3.280 3.949 1.00 0.00 C ATOM 0 H LEU A 65 17.775 -0.096 1.844 1.00 0.00 H new ATOM 0 HA LEU A 65 19.310 -2.586 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.525 -2.011 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 65 17.232 -3.604 1.149 1.00 0.00 H new ATOM 0 HG LEU A 65 16.379 -1.686 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.959 -3.582 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.616 -3.068 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.580 -4.534 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 65 17.222 -3.337 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.929 -4.280 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 65 18.536 -2.645 3.969 1.00 0.00 H new ATOM 991 N PHE A 66 18.493 -1.137 -0.786 1.00 0.00 N ATOM 992 CA PHE A 66 18.773 -1.137 -2.218 1.00 0.00 C ATOM 993 C PHE A 66 19.765 -0.039 -2.580 1.00 0.00 C ATOM 994 O PHE A 66 20.690 -0.257 -3.361 1.00 0.00 O ATOM 995 CB PHE A 66 17.475 -0.958 -3.010 1.00 0.00 C ATOM 996 CG PHE A 66 16.620 -2.195 -3.053 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.050 -2.702 -1.894 1.00 0.00 C ATOM 998 CD2 PHE A 66 16.388 -2.851 -4.251 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.270 -3.843 -1.930 1.00 0.00 C ATOM 1000 CE2 PHE A 66 15.609 -3.992 -4.292 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.051 -4.490 -3.131 1.00 0.00 C ATOM 0 H PHE A 66 17.831 -0.423 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 66 19.218 -2.097 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.900 -0.144 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.719 -0.660 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.218 -2.200 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.821 -2.467 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.833 -4.228 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.437 -4.494 -5.232 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.445 -5.383 -3.162 1.00 0.00 H new ATOM 1011 N GLY A 67 19.586 1.126 -1.982 1.00 0.00 N ATOM 1012 CA GLY A 67 20.492 2.227 -2.228 1.00 0.00 C ATOM 1013 C GLY A 67 20.050 3.106 -3.375 1.00 0.00 C ATOM 1014 O GLY A 67 19.255 2.688 -4.216 1.00 0.00 O ATOM 0 H GLY A 67 18.829 1.330 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.575 2.831 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.486 1.833 -2.441 1.00 0.00 H new ATOM 1424 N GLU A 102 8.266 5.896 -8.201 1.00 0.00 N ATOM 1425 CA GLU A 102 7.761 6.722 -7.117 1.00 0.00 C ATOM 1426 C GLU A 102 6.287 7.060 -7.333 1.00 0.00 C ATOM 1427 O GLU A 102 5.611 6.426 -8.147 1.00 0.00 O ATOM 1428 CB GLU A 102 8.578 8.006 -7.005 1.00 0.00 C ATOM 1429 CG GLU A 102 9.872 7.830 -6.238 1.00 0.00 C ATOM 1430 CD GLU A 102 10.033 8.843 -5.129 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.044 9.517 -4.786 1.00 0.00 O ATOM 1432 OE2 GLU A 102 11.160 8.990 -4.615 1.00 0.00 O ATOM 0 HA GLU A 102 7.855 6.158 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.805 8.372 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.975 8.770 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.906 6.826 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.713 7.914 -6.927 1.00 0.00 H new ATOM 1439 N ARG A 103 5.789 8.031 -6.564 1.00 0.00 N ATOM 1440 CA ARG A 103 4.376 8.421 -6.603 1.00 0.00 C ATOM 1441 C ARG A 103 3.496 7.218 -6.287 1.00 0.00 C ATOM 1442 O ARG A 103 2.387 7.073 -6.808 1.00 0.00 O ATOM 1443 CB ARG A 103 3.999 9.015 -7.961 1.00 0.00 C ATOM 1444 CG ARG A 103 3.224 10.315 -7.850 1.00 0.00 C ATOM 1445 CD ARG A 103 1.993 10.312 -8.742 1.00 0.00 C ATOM 1446 NE ARG A 103 1.063 11.380 -8.386 1.00 0.00 N ATOM 1447 CZ ARG A 103 1.116 12.613 -8.891 1.00 0.00 C ATOM 1448 NH1 ARG A 103 2.051 12.937 -9.778 1.00 0.00 N ATOM 1449 NH2 ARG A 103 0.237 13.526 -8.503 1.00 0.00 N ATOM 0 H ARG A 103 6.349 8.567 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 103 4.215 9.191 -5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.907 9.189 -8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.402 8.290 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 103 2.923 10.472 -6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.870 11.149 -8.124 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.298 10.427 -9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 103 1.489 9.349 -8.662 1.00 0.00 H new ATOM 0 HE ARG A 103 0.328 11.170 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.734 12.241 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.086 13.882 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.480 13.285 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.277 14.469 -8.889 1.00 0.00 H new ATOM 1463 N LEU A 104 4.053 6.314 -5.496 1.00 0.00 N ATOM 1464 CA LEU A 104 3.405 5.058 -5.176 1.00 0.00 C ATOM 1465 C LEU A 104 2.430 5.219 -4.017 1.00 0.00 C ATOM 1466 O LEU A 104 1.705 4.288 -3.676 1.00 0.00 O ATOM 1467 CB LEU A 104 4.466 4.016 -4.826 1.00 0.00 C ATOM 1468 CG LEU A 104 4.001 2.566 -4.893 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.885 2.110 -6.337 1.00 0.00 C ATOM 1470 CD2 LEU A 104 4.957 1.672 -4.120 1.00 0.00 C ATOM 0 H LEU A 104 4.967 6.433 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 104 2.837 4.729 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.312 4.141 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.831 4.217 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 104 3.015 2.494 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.552 1.073 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.163 2.737 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.857 2.192 -6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.614 0.639 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.955 1.747 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.989 1.988 -3.077 1.00 0.00 H new ATOM 1482 N ILE A 105 2.430 6.391 -3.403 1.00 0.00 N ATOM 1483 CA ILE A 105 1.565 6.647 -2.266 1.00 0.00 C ATOM 1484 C ILE A 105 0.517 7.700 -2.608 1.00 0.00 C ATOM 1485 O ILE A 105 0.827 8.884 -2.775 1.00 0.00 O ATOM 1486 CB ILE A 105 2.382 7.078 -1.024 1.00 0.00 C ATOM 1487 CG1 ILE A 105 3.026 5.847 -0.385 1.00 0.00 C ATOM 1488 CG2 ILE A 105 1.511 7.811 -0.008 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.811 6.148 0.869 1.00 0.00 C ATOM 0 H ILE A 105 3.019 7.179 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 105 1.052 5.716 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 105 3.160 7.770 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.246 5.123 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.688 5.377 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.117 8.099 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.088 8.704 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.705 7.155 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.237 5.225 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.614 6.847 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.150 6.589 1.615 1.00 0.00 H new ATOM 1500 N THR A 106 -0.719 7.260 -2.701 1.00 0.00 N ATOM 1501 CA THR A 106 -1.832 8.144 -2.967 1.00 0.00 C ATOM 1502 C THR A 106 -2.661 8.298 -1.696 1.00 0.00 C ATOM 1503 O THR A 106 -3.062 7.304 -1.093 1.00 0.00 O ATOM 1504 CB THR A 106 -2.699 7.583 -4.113 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.858 7.223 -5.221 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.740 8.590 -4.574 1.00 0.00 C ATOM 0 H THR A 106 -0.980 6.280 -2.594 1.00 0.00 H new ATOM 0 HA THR A 106 -1.457 9.120 -3.274 1.00 0.00 H new ATOM 0 HB THR A 106 -3.223 6.704 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.410 6.865 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.331 8.158 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.395 8.843 -3.741 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.241 9.491 -4.931 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.755 9.515 -1.189 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.389 9.746 0.102 1.00 0.00 C ATOM 1516 C ARG A 107 -4.693 10.517 -0.044 1.00 0.00 C ATOM 1517 O ARG A 107 -4.702 11.677 -0.459 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.435 10.503 1.032 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.079 10.970 2.330 1.00 0.00 C ATOM 1520 CD ARG A 107 -2.860 9.970 3.455 1.00 0.00 C ATOM 1521 NE ARG A 107 -2.388 10.612 4.681 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.982 10.485 5.871 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -4.076 9.739 5.999 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -2.491 11.114 6.930 1.00 0.00 N ATOM 0 H ARG A 107 -2.403 10.356 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.621 8.773 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.588 9.859 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.039 11.369 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.664 11.937 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.148 11.116 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.793 9.444 3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.135 9.221 3.137 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.552 11.194 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.465 9.261 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.526 9.645 6.910 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.659 11.696 6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.946 11.016 7.838 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.774 9.910 0.421 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.060 10.580 0.471 1.00 0.00 C ATOM 1540 C LEU A 108 -7.360 11.004 1.903 1.00 0.00 C ATOM 1541 O LEU A 108 -7.549 10.161 2.783 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.169 9.669 -0.062 1.00 0.00 C ATOM 1543 CG LEU A 108 -9.336 10.387 -0.754 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -10.430 10.720 0.247 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -8.857 11.649 -1.461 1.00 0.00 C ATOM 0 H LEU A 108 -5.784 8.952 0.770 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.020 11.466 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.729 8.964 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.565 9.084 0.768 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.749 9.713 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.248 11.228 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.801 9.801 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.027 11.370 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.703 12.139 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.411 12.327 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.114 11.385 -2.213 1.00 0.00 H new ATOM 1557 N GLU A 109 -7.302 12.302 2.148 1.00 0.00 N ATOM 1558 CA GLU A 109 -7.504 12.833 3.485 1.00 0.00 C ATOM 1559 C GLU A 109 -8.569 13.917 3.472 1.00 0.00 C ATOM 1560 O GLU A 109 -8.539 14.817 2.629 1.00 0.00 O ATOM 1561 CB GLU A 109 -6.196 13.401 4.030 1.00 0.00 C ATOM 1562 CG GLU A 109 -5.734 12.745 5.318 1.00 0.00 C ATOM 1563 CD GLU A 109 -6.181 13.514 6.543 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -6.966 14.471 6.391 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -5.762 13.155 7.664 1.00 0.00 O ATOM 0 H GLU A 109 -7.116 13.009 1.437 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.837 12.020 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.418 13.286 3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.318 14.470 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.125 11.729 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.647 12.669 5.315 1.00 0.00 H new