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 53 SER OG : rot -130:sc= -0.0622 USER MOD Set 1.2: A 55 MET CE :methyl 169:sc= 0 (180deg=-0.135) USER MOD Set 2.1: A 35 CYS SG : rot 143:sc= 0.583 USER MOD Set 2.2: A 37 SER OG : rot 128:sc= 0.251 USER MOD Set 2.3: A 38 CYS SG : rot 70:sc= 1.24 USER MOD Set 2.4: A 41 GLN : amide:sc= 1.24 K(o=0.3,f=-1.2) USER MOD Set 2.5: A 58 CYS SG : rot -130:sc= -3.01! USER MOD Set 3.1: A 8 CYS SG : rot 154:sc= 1.52 USER MOD Set 3.2: A 11 CYS SG : rot -50:sc= 0.701! USER MOD Set 3.3: A 29 HIS : no HD1:sc= -1.76! C(o=-2.2!,f=-6.5!) USER MOD Set 3.4: A 32 CYS SG : rot 134:sc= -2.63! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -14:sc= 0.939 USER MOD Single : A 24 MET CE :methyl 161:sc= -0.0225 (180deg=-0.308) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.181 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 86:sc= 1.29 USER MOD Single : A 39 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0849 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 49 SER OG : rot 145:sc= 0.044 USER MOD Single : A 50 TYR OH : rot 130:sc= 1.25 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 52 LYS NZ :NH3+ 138:sc= 2.86 (180deg=-3.23!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.761 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.816 -1.146 -0.617 1.00 0.00 N ATOM 98 CA ARG A 7 -10.473 -2.164 0.358 1.00 0.00 C ATOM 99 C ARG A 7 -9.020 -2.023 0.774 1.00 0.00 C ATOM 100 O ARG A 7 -8.168 -1.658 -0.031 1.00 0.00 O ATOM 101 CB ARG A 7 -10.720 -3.569 -0.202 1.00 0.00 C ATOM 102 CG ARG A 7 -9.831 -3.924 -1.387 1.00 0.00 C ATOM 103 CD ARG A 7 -8.608 -4.744 -0.979 1.00 0.00 C ATOM 104 NE ARG A 7 -8.847 -5.585 0.196 1.00 0.00 N ATOM 105 CZ ARG A 7 -9.426 -6.784 0.147 1.00 0.00 C ATOM 106 NH1 ARG A 7 -9.887 -7.259 -1.008 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.554 -7.505 1.254 1.00 0.00 N ATOM 0 HA ARG A 7 -11.112 -2.024 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.561 -4.299 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.764 -3.651 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.413 -4.486 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.502 -3.008 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.306 -5.375 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.778 -4.069 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.553 -5.232 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.798 -6.705 -1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.330 -8.177 -1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.209 -7.141 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.997 -8.423 1.216 1.00 0.00 H new ATOM 121 N CYS A 8 -8.747 -2.343 2.021 1.00 0.00 N ATOM 122 CA CYS A 8 -7.408 -2.287 2.559 1.00 0.00 C ATOM 123 C CYS A 8 -6.680 -3.599 2.309 1.00 0.00 C ATOM 124 O CYS A 8 -7.268 -4.681 2.414 1.00 0.00 O ATOM 125 CB CYS A 8 -7.481 -2.005 4.057 1.00 0.00 C ATOM 126 SG CYS A 8 -5.873 -1.819 4.892 1.00 0.00 S ATOM 0 H CYS A 8 -9.452 -2.650 2.691 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.855 -1.489 2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.059 -1.094 4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.029 -2.816 4.537 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.014 -1.067 5.943 1.00 0.00 H new ATOM 131 N ALA A 9 -5.394 -3.497 2.039 1.00 0.00 N ATOM 132 CA ALA A 9 -4.554 -4.664 1.868 1.00 0.00 C ATOM 133 C ALA A 9 -3.683 -4.853 3.102 1.00 0.00 C ATOM 134 O ALA A 9 -2.805 -5.721 3.138 1.00 0.00 O ATOM 135 CB ALA A 9 -3.695 -4.521 0.620 1.00 0.00 C ATOM 0 H ALA A 9 -4.905 -2.608 1.933 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.185 -5.544 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.069 -5.406 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.338 -4.415 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.062 -3.639 0.713 1.00 0.00 H new ATOM 141 N GLY A 10 -3.898 -3.996 4.094 1.00 0.00 N ATOM 142 CA GLY A 10 -3.090 -4.031 5.291 1.00 0.00 C ATOM 143 C GLY A 10 -3.708 -4.855 6.397 1.00 0.00 C ATOM 144 O GLY A 10 -2.997 -5.562 7.116 1.00 0.00 O ATOM 0 H GLY A 10 -4.621 -3.277 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.108 -4.437 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.934 -3.013 5.648 1.00 0.00 H new ATOM 148 N CYS A 11 -5.018 -4.737 6.578 1.00 0.00 N ATOM 149 CA CYS A 11 -5.687 -5.454 7.652 1.00 0.00 C ATOM 150 C CYS A 11 -6.710 -6.454 7.112 1.00 0.00 C ATOM 151 O CYS A 11 -6.415 -7.641 6.965 1.00 0.00 O ATOM 152 CB CYS A 11 -6.349 -4.466 8.625 1.00 0.00 C ATOM 153 SG CYS A 11 -7.533 -3.310 7.858 1.00 0.00 S ATOM 0 H CYS A 11 -5.630 -4.159 6.002 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.931 -6.023 8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.866 -5.033 9.399 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.569 -3.888 9.120 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.982 -2.747 6.824 1.00 0.00 H new ATOM 158 N GLY A 12 -7.934 -5.989 6.908 1.00 0.00 N ATOM 159 CA GLY A 12 -9.008 -6.874 6.512 1.00 0.00 C ATOM 160 C GLY A 12 -9.477 -6.650 5.091 1.00 0.00 C ATOM 161 O GLY A 12 -8.765 -6.964 4.134 1.00 0.00 O ATOM 0 H GLY A 12 -8.202 -5.010 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.676 -7.907 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.850 -6.738 7.191 1.00 0.00 H new ATOM 165 N GLY A 13 -10.704 -6.178 4.950 1.00 0.00 N ATOM 166 CA GLY A 13 -11.289 -6.025 3.637 1.00 0.00 C ATOM 167 C GLY A 13 -11.603 -4.588 3.291 1.00 0.00 C ATOM 168 O GLY A 13 -10.709 -3.747 3.235 1.00 0.00 O ATOM 0 H GLY A 13 -11.307 -5.897 5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.605 -6.431 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.205 -6.614 3.583 1.00 0.00 H new ATOM 172 N LYS A 14 -12.876 -4.317 3.037 1.00 0.00 N ATOM 173 CA LYS A 14 -13.322 -2.989 2.639 1.00 0.00 C ATOM 174 C LYS A 14 -13.047 -1.960 3.729 1.00 0.00 C ATOM 175 O LYS A 14 -13.214 -2.234 4.921 1.00 0.00 O ATOM 176 CB LYS A 14 -14.813 -3.016 2.297 1.00 0.00 C ATOM 177 CG LYS A 14 -15.136 -3.893 1.098 1.00 0.00 C ATOM 178 CD LYS A 14 -16.428 -4.664 1.302 1.00 0.00 C ATOM 179 CE LYS A 14 -17.299 -4.621 0.060 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.767 -5.972 -0.344 1.00 0.00 N ATOM 0 H LYS A 14 -13.625 -5.007 3.100 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.758 -2.695 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.371 -3.374 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.152 -1.999 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.218 -3.274 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.317 -4.592 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.200 -5.700 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.975 -4.245 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.161 -3.980 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.738 -4.172 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.358 -5.894 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.946 -6.578 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.325 -6.391 0.427 1.00 0.00 H new ATOM 194 N ILE A 15 -12.588 -0.791 3.312 1.00 0.00 N ATOM 195 CA ILE A 15 -12.276 0.281 4.235 1.00 0.00 C ATOM 196 C ILE A 15 -13.519 1.109 4.524 1.00 0.00 C ATOM 197 O ILE A 15 -13.923 1.946 3.717 1.00 0.00 O ATOM 198 CB ILE A 15 -11.169 1.205 3.681 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.977 0.378 3.201 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.730 2.207 4.736 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.909 1.192 2.502 1.00 0.00 C ATOM 0 H ILE A 15 -12.423 -0.562 2.332 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.915 -0.179 5.155 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.574 1.756 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.532 -0.130 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.334 -0.396 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.950 2.849 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.582 2.818 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.343 1.675 5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.096 0.535 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.338 1.679 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.523 1.949 3.185 1.00 0.00 H new ATOM 212 N ALA A 16 -14.085 0.908 5.701 1.00 0.00 N ATOM 213 CA ALA A 16 -15.242 1.672 6.134 1.00 0.00 C ATOM 214 C ALA A 16 -14.789 2.982 6.758 1.00 0.00 C ATOM 215 O ALA A 16 -15.599 3.860 7.063 1.00 0.00 O ATOM 216 CB ALA A 16 -16.069 0.866 7.117 1.00 0.00 C ATOM 0 H ALA A 16 -13.760 0.218 6.378 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.867 1.895 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.932 1.452 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.409 -0.053 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.461 0.619 7.987 1.00 0.00 H new ATOM 222 N ASP A 17 -13.479 3.109 6.912 1.00 0.00 N ATOM 223 CA ASP A 17 -12.873 4.317 7.443 1.00 0.00 C ATOM 224 C ASP A 17 -13.037 5.458 6.453 1.00 0.00 C ATOM 225 O ASP A 17 -13.044 5.241 5.239 1.00 0.00 O ATOM 226 CB ASP A 17 -11.385 4.098 7.721 1.00 0.00 C ATOM 227 CG ASP A 17 -11.108 3.683 9.151 1.00 0.00 C ATOM 228 OD1 ASP A 17 -11.307 2.491 9.476 1.00 0.00 O ATOM 229 OD2 ASP A 17 -10.662 4.535 9.949 1.00 0.00 O ATOM 0 H ASP A 17 -12.809 2.378 6.672 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.374 4.568 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.003 3.333 7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.841 5.017 7.503 1.00 0.00 H new ATOM 234 N ARG A 18 -13.106 6.673 6.962 1.00 0.00 N ATOM 235 CA ARG A 18 -13.214 7.842 6.104 1.00 0.00 C ATOM 236 C ARG A 18 -11.828 8.368 5.761 1.00 0.00 C ATOM 237 O ARG A 18 -11.646 9.074 4.772 1.00 0.00 O ATOM 238 CB ARG A 18 -14.051 8.933 6.770 1.00 0.00 C ATOM 239 CG ARG A 18 -13.601 9.284 8.178 1.00 0.00 C ATOM 240 CD ARG A 18 -14.569 8.755 9.231 1.00 0.00 C ATOM 241 NE ARG A 18 -15.961 8.950 8.834 1.00 0.00 N ATOM 242 CZ ARG A 18 -16.831 7.961 8.626 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.498 6.705 8.899 1.00 0.00 N ATOM 244 NH2 ARG A 18 -18.049 8.234 8.172 1.00 0.00 N ATOM 0 H ARG A 18 -13.089 6.878 7.961 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.717 7.548 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.015 9.831 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.091 8.610 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.609 8.870 8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.517 10.367 8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.383 7.694 9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.387 9.261 10.179 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.290 9.907 8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.572 6.492 9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.168 5.953 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.318 9.199 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.715 7.478 8.013 1.00 0.00 H new ATOM 258 N PHE A 19 -10.846 7.977 6.557 1.00 0.00 N ATOM 259 CA PHE A 19 -9.467 8.356 6.299 1.00 0.00 C ATOM 260 C PHE A 19 -8.649 7.118 5.964 1.00 0.00 C ATOM 261 O PHE A 19 -8.543 6.193 6.772 1.00 0.00 O ATOM 262 CB PHE A 19 -8.874 9.086 7.508 1.00 0.00 C ATOM 263 CG PHE A 19 -9.718 10.236 7.985 1.00 0.00 C ATOM 264 CD1 PHE A 19 -10.194 11.182 7.091 1.00 0.00 C ATOM 265 CD2 PHE A 19 -10.044 10.366 9.326 1.00 0.00 C ATOM 266 CE1 PHE A 19 -10.978 12.234 7.524 1.00 0.00 C ATOM 267 CE2 PHE A 19 -10.829 11.415 9.764 1.00 0.00 C ATOM 268 CZ PHE A 19 -11.296 12.351 8.862 1.00 0.00 C ATOM 0 H PHE A 19 -10.978 7.398 7.386 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.440 9.037 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.746 8.376 8.325 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.882 9.456 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.949 11.096 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.680 9.639 10.037 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.342 12.964 6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.077 11.503 10.811 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.909 13.173 9.203 1.00 0.00 H new ATOM 278 N LEU A 20 -8.149 7.067 4.740 1.00 0.00 N ATOM 279 CA LEU A 20 -7.401 5.914 4.269 1.00 0.00 C ATOM 280 C LEU A 20 -6.309 6.345 3.300 1.00 0.00 C ATOM 281 O LEU A 20 -6.174 7.533 2.996 1.00 0.00 O ATOM 282 CB LEU A 20 -8.349 4.858 3.645 1.00 0.00 C ATOM 283 CG LEU A 20 -8.983 5.146 2.260 1.00 0.00 C ATOM 284 CD1 LEU A 20 -9.149 6.631 1.970 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.180 4.476 1.155 1.00 0.00 C ATOM 0 H LEU A 20 -8.249 7.814 4.053 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.913 5.442 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.794 3.923 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.162 4.687 4.351 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.987 4.722 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.598 6.761 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.794 7.079 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.174 7.117 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.640 4.689 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.160 4.859 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.164 3.399 1.319 1.00 0.00 H new ATOM 297 N LEU A 21 -5.520 5.394 2.833 1.00 0.00 N ATOM 298 CA LEU A 21 -4.423 5.695 1.936 1.00 0.00 C ATOM 299 C LEU A 21 -4.444 4.738 0.749 1.00 0.00 C ATOM 300 O LEU A 21 -5.012 3.657 0.827 1.00 0.00 O ATOM 301 CB LEU A 21 -3.095 5.579 2.691 1.00 0.00 C ATOM 302 CG LEU A 21 -2.084 6.691 2.403 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.744 8.057 2.510 1.00 0.00 C ATOM 304 CD2 LEU A 21 -0.908 6.601 3.363 1.00 0.00 C ATOM 0 H LEU A 21 -5.620 4.405 3.062 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.530 6.714 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.303 5.567 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.638 4.621 2.445 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.716 6.563 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.008 8.834 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.558 8.125 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.139 8.192 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.198 7.399 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.266 6.704 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.416 5.636 3.246 1.00 0.00 H new ATOM 316 N TYR A 22 -3.850 5.144 -0.352 1.00 0.00 N ATOM 317 CA TYR A 22 -3.792 4.301 -1.537 1.00 0.00 C ATOM 318 C TYR A 22 -2.335 4.105 -1.928 1.00 0.00 C ATOM 319 O TYR A 22 -1.570 5.058 -1.916 1.00 0.00 O ATOM 320 CB TYR A 22 -4.573 4.930 -2.702 1.00 0.00 C ATOM 321 CG TYR A 22 -5.884 5.599 -2.312 1.00 0.00 C ATOM 322 CD1 TYR A 22 -5.906 6.840 -1.688 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.101 4.996 -2.593 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.094 7.449 -1.350 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.297 5.603 -2.262 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.288 6.831 -1.639 1.00 0.00 C ATOM 327 OH TYR A 22 -9.477 7.445 -1.307 1.00 0.00 O ATOM 0 H TYR A 22 -3.399 6.053 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.251 3.338 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.937 5.669 -3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.783 4.155 -3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.974 7.337 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.114 4.032 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.088 8.411 -0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.234 5.117 -2.491 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.302 8.185 -0.689 1.00 0.00 H new ATOM 337 N ALA A 23 -1.917 2.871 -2.157 1.00 0.00 N ATOM 338 CA ALA A 23 -0.517 2.606 -2.457 1.00 0.00 C ATOM 339 C ALA A 23 -0.340 1.347 -3.294 1.00 0.00 C ATOM 340 O ALA A 23 -0.941 0.310 -3.009 1.00 0.00 O ATOM 341 CB ALA A 23 0.288 2.500 -1.171 1.00 0.00 C ATOM 0 H ALA A 23 -2.517 2.046 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.146 3.445 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.333 2.302 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.214 3.436 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.105 1.686 -0.562 1.00 0.00 H new ATOM 347 N MET A 24 0.549 1.436 -4.281 1.00 0.00 N ATOM 348 CA MET A 24 0.916 0.293 -5.120 1.00 0.00 C ATOM 349 C MET A 24 -0.304 -0.301 -5.817 1.00 0.00 C ATOM 350 O MET A 24 -0.434 -1.521 -5.945 1.00 0.00 O ATOM 351 CB MET A 24 1.625 -0.775 -4.285 1.00 0.00 C ATOM 352 CG MET A 24 3.088 -0.466 -4.018 1.00 0.00 C ATOM 353 SD MET A 24 3.330 0.677 -2.641 1.00 0.00 S ATOM 354 CE MET A 24 2.942 -0.385 -1.251 1.00 0.00 C ATOM 0 H MET A 24 1.035 2.299 -4.523 1.00 0.00 H new ATOM 0 HA MET A 24 1.599 0.650 -5.890 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.106 -0.884 -3.333 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.553 -1.733 -4.799 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.617 -1.396 -3.808 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.534 -0.041 -4.918 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.357 0.044 -0.339 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.860 -0.473 -1.151 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.373 -1.373 -1.416 1.00 0.00 H new ATOM 364 N ASP A 25 -1.200 0.584 -6.249 1.00 0.00 N ATOM 365 CA ASP A 25 -2.420 0.202 -6.962 1.00 0.00 C ATOM 366 C ASP A 25 -3.365 -0.600 -6.072 1.00 0.00 C ATOM 367 O ASP A 25 -4.395 -1.092 -6.531 1.00 0.00 O ATOM 368 CB ASP A 25 -2.091 -0.582 -8.234 1.00 0.00 C ATOM 369 CG ASP A 25 -2.016 0.309 -9.455 1.00 0.00 C ATOM 370 OD1 ASP A 25 -0.963 0.950 -9.662 1.00 0.00 O ATOM 371 OD2 ASP A 25 -3.010 0.378 -10.210 1.00 0.00 O ATOM 0 H ASP A 25 -1.101 1.590 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.929 1.123 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.139 -1.098 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.850 -1.348 -8.392 1.00 0.00 H new ATOM 376 N SER A 26 -3.092 -0.594 -4.779 1.00 0.00 N ATOM 377 CA SER A 26 -4.001 -1.169 -3.802 1.00 0.00 C ATOM 378 C SER A 26 -4.380 -0.095 -2.796 1.00 0.00 C ATOM 379 O SER A 26 -3.705 0.927 -2.698 1.00 0.00 O ATOM 380 CB SER A 26 -3.356 -2.365 -3.090 1.00 0.00 C ATOM 381 OG SER A 26 -2.067 -2.645 -3.614 1.00 0.00 O ATOM 0 H SER A 26 -2.243 -0.195 -4.379 1.00 0.00 H new ATOM 0 HA SER A 26 -4.894 -1.531 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.279 -2.157 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.993 -3.242 -3.199 1.00 0.00 H new ATOM 0 HG SER A 26 -1.680 -3.411 -3.140 1.00 0.00 H new ATOM 387 N TYR A 27 -5.449 -0.306 -2.057 1.00 0.00 N ATOM 388 CA TYR A 27 -5.856 0.665 -1.059 1.00 0.00 C ATOM 389 C TYR A 27 -5.510 0.147 0.331 1.00 0.00 C ATOM 390 O TYR A 27 -5.273 -1.048 0.512 1.00 0.00 O ATOM 391 CB TYR A 27 -7.346 0.991 -1.188 1.00 0.00 C ATOM 392 CG TYR A 27 -7.800 1.241 -2.617 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.040 2.006 -3.503 1.00 0.00 C ATOM 394 CD2 TYR A 27 -8.993 0.711 -3.078 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.465 2.229 -4.799 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.423 0.929 -4.374 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.658 1.689 -5.229 1.00 0.00 C ATOM 398 OH TYR A 27 -9.091 1.910 -6.518 1.00 0.00 O ATOM 0 H TYR A 27 -6.046 -1.130 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.312 1.595 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.926 0.167 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.568 1.873 -0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.104 2.431 -3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.600 0.115 -2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.865 2.824 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.356 0.504 -4.714 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.949 1.458 -6.657 1.00 0.00 H new ATOM 408 N TRP A 28 -5.263 1.075 1.242 1.00 0.00 N ATOM 409 CA TRP A 28 -4.720 0.757 2.557 1.00 0.00 C ATOM 410 C TRP A 28 -5.325 1.670 3.615 1.00 0.00 C ATOM 411 O TRP A 28 -5.943 2.685 3.294 1.00 0.00 O ATOM 412 CB TRP A 28 -3.193 0.974 2.578 1.00 0.00 C ATOM 413 CG TRP A 28 -2.408 0.151 1.596 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.285 0.371 0.253 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.602 -0.995 1.884 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.474 -0.582 -0.312 1.00 0.00 N ATOM 417 CE2 TRP A 28 -1.042 -1.431 0.668 1.00 0.00 C ATOM 418 CE3 TRP A 28 -1.304 -1.703 3.052 1.00 0.00 C ATOM 419 CZ2 TRP A 28 -0.206 -2.539 0.587 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.473 -2.803 2.972 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.068 -3.211 1.746 1.00 0.00 C ATOM 0 H TRP A 28 -5.432 2.070 1.093 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.959 -0.285 2.768 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.991 2.028 2.386 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.827 0.757 3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.758 1.178 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.233 -0.646 -1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.717 -1.395 4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.212 -2.857 -0.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.237 -3.357 3.868 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.715 -4.075 1.715 1.00 0.00 H new ATOM 432 N HIS A 29 -4.910 1.455 4.849 1.00 0.00 N ATOM 433 CA HIS A 29 -5.161 2.421 5.903 1.00 0.00 C ATOM 434 C HIS A 29 -3.892 3.223 6.122 1.00 0.00 C ATOM 435 O HIS A 29 -2.807 2.767 5.758 1.00 0.00 O ATOM 436 CB HIS A 29 -5.555 1.728 7.208 1.00 0.00 C ATOM 437 CG HIS A 29 -7.008 1.410 7.318 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.456 0.121 7.293 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.069 2.240 7.470 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.762 0.173 7.428 1.00 0.00 C ATOM 441 NE2 HIS A 29 -9.189 1.443 7.542 1.00 0.00 N ATOM 0 H HIS A 29 -4.399 0.623 5.146 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.986 3.068 5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.984 0.804 7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.270 2.365 8.045 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.041 3.318 7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.409 -0.692 7.445 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.153 1.755 7.659 1.00 0.00 H new ATOM 449 N SER A 30 -4.000 4.353 6.793 1.00 0.00 N ATOM 450 CA SER A 30 -2.827 5.138 7.139 1.00 0.00 C ATOM 451 C SER A 30 -1.949 4.352 8.112 1.00 0.00 C ATOM 452 O SER A 30 -0.720 4.433 8.080 1.00 0.00 O ATOM 453 CB SER A 30 -3.273 6.454 7.764 1.00 0.00 C ATOM 454 OG SER A 30 -4.678 6.622 7.634 1.00 0.00 O ATOM 0 H SER A 30 -4.885 4.749 7.110 1.00 0.00 H new ATOM 0 HA SER A 30 -2.245 5.350 6.242 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.995 6.474 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.757 7.284 7.282 1.00 0.00 H new ATOM 0 HG SER A 30 -4.945 7.472 8.043 1.00 0.00 H new ATOM 460 N ARG A 31 -2.610 3.586 8.967 1.00 0.00 N ATOM 461 CA ARG A 31 -1.938 2.771 9.971 1.00 0.00 C ATOM 462 C ARG A 31 -1.536 1.405 9.405 1.00 0.00 C ATOM 463 O ARG A 31 -0.738 0.680 10.007 1.00 0.00 O ATOM 464 CB ARG A 31 -2.860 2.585 11.177 1.00 0.00 C ATOM 465 CG ARG A 31 -2.186 1.954 12.384 1.00 0.00 C ATOM 466 CD ARG A 31 -3.179 1.158 13.213 1.00 0.00 C ATOM 467 NE ARG A 31 -3.948 2.014 14.115 1.00 0.00 N ATOM 468 CZ ARG A 31 -5.264 1.904 14.311 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.980 1.041 13.595 1.00 0.00 N ATOM 470 NH2 ARG A 31 -5.867 2.688 15.197 1.00 0.00 N ATOM 0 H ARG A 31 -3.627 3.511 8.985 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.028 3.286 10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.262 3.556 11.466 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.706 1.964 10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.378 1.301 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.735 2.732 13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.860 0.625 12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.646 0.405 13.794 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.448 2.741 14.627 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.524 0.459 12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.985 0.961 13.749 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.325 3.372 15.725 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.872 2.607 15.349 1.00 0.00 H new ATOM 484 N CYS A 32 -2.130 1.030 8.280 1.00 0.00 N ATOM 485 CA CYS A 32 -1.853 -0.267 7.673 1.00 0.00 C ATOM 486 C CYS A 32 -0.755 -0.167 6.623 1.00 0.00 C ATOM 487 O CYS A 32 0.046 -1.089 6.469 1.00 0.00 O ATOM 488 CB CYS A 32 -3.120 -0.851 7.061 1.00 0.00 C ATOM 489 SG CYS A 32 -4.406 -1.260 8.282 1.00 0.00 S ATOM 0 H CYS A 32 -2.804 1.602 7.770 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.503 -0.934 8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.527 -0.139 6.343 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.861 -1.752 6.504 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.555 -0.814 7.868 1.00 0.00 H new ATOM 494 N LEU A 33 -0.662 0.979 5.966 1.00 0.00 N ATOM 495 CA LEU A 33 0.428 1.216 5.039 1.00 0.00 C ATOM 496 C LEU A 33 1.656 1.662 5.813 1.00 0.00 C ATOM 497 O LEU A 33 1.828 2.843 6.118 1.00 0.00 O ATOM 498 CB LEU A 33 0.057 2.257 3.987 1.00 0.00 C ATOM 499 CG LEU A 33 1.153 2.528 2.959 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.328 1.333 2.035 1.00 0.00 C ATOM 501 CD2 LEU A 33 0.843 3.779 2.165 1.00 0.00 C ATOM 0 H LEU A 33 -1.322 1.751 6.057 1.00 0.00 H new ATOM 0 HA LEU A 33 0.641 0.285 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.841 1.925 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.193 3.191 4.489 1.00 0.00 H new ATOM 0 HG LEU A 33 2.091 2.687 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.113 1.546 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.604 0.457 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.393 1.139 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.636 3.954 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.106 3.653 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.775 4.631 2.841 1.00 0.00 H new ATOM 513 N LYS A 34 2.423 0.689 6.251 1.00 0.00 N ATOM 514 CA LYS A 34 3.561 0.945 7.107 1.00 0.00 C ATOM 515 C LYS A 34 4.809 0.304 6.536 1.00 0.00 C ATOM 516 O LYS A 34 4.732 -0.715 5.849 1.00 0.00 O ATOM 517 CB LYS A 34 3.298 0.400 8.518 1.00 0.00 C ATOM 518 CG LYS A 34 2.270 -0.716 8.580 1.00 0.00 C ATOM 519 CD LYS A 34 2.924 -2.086 8.509 1.00 0.00 C ATOM 520 CE LYS A 34 1.908 -3.169 8.197 1.00 0.00 C ATOM 521 NZ LYS A 34 1.131 -3.561 9.400 1.00 0.00 N ATOM 0 H LYS A 34 2.278 -0.295 6.026 1.00 0.00 H new ATOM 0 HA LYS A 34 3.712 2.023 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.237 0.035 8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.965 1.220 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.698 -0.633 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.564 -0.607 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.700 -2.081 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.414 -2.307 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.226 -2.815 7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.421 -4.043 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.448 -4.303 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.779 -3.922 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.621 -2.733 9.769 1.00 0.00 H new ATOM 535 N CYS A 35 5.957 0.867 6.881 1.00 0.00 N ATOM 536 CA CYS A 35 7.225 0.296 6.485 1.00 0.00 C ATOM 537 C CYS A 35 7.415 -1.041 7.187 1.00 0.00 C ATOM 538 O CYS A 35 6.946 -1.227 8.310 1.00 0.00 O ATOM 539 CB CYS A 35 8.376 1.244 6.845 1.00 0.00 C ATOM 540 SG CYS A 35 9.949 0.820 6.040 1.00 0.00 S ATOM 0 H CYS A 35 6.031 1.720 7.435 1.00 0.00 H new ATOM 0 HA CYS A 35 7.227 0.146 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.098 2.261 6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.517 1.236 7.926 1.00 0.00 H new ATOM 0 HG CYS A 35 10.574 1.910 5.708 1.00 0.00 H new ATOM 545 N SER A 36 8.172 -1.926 6.571 1.00 0.00 N ATOM 546 CA SER A 36 8.486 -3.200 7.191 1.00 0.00 C ATOM 547 C SER A 36 9.561 -3.011 8.257 1.00 0.00 C ATOM 548 O SER A 36 9.784 -3.883 9.099 1.00 0.00 O ATOM 549 CB SER A 36 8.951 -4.205 6.136 1.00 0.00 C ATOM 550 OG SER A 36 8.141 -4.134 4.972 1.00 0.00 O ATOM 0 H SER A 36 8.580 -1.789 5.646 1.00 0.00 H new ATOM 0 HA SER A 36 7.586 -3.591 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.990 -4.006 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.914 -5.213 6.548 1.00 0.00 H new ATOM 0 HG SER A 36 8.483 -3.433 4.378 1.00 0.00 H new ATOM 556 N SER A 37 10.222 -1.863 8.224 1.00 0.00 N ATOM 557 CA SER A 37 11.269 -1.559 9.186 1.00 0.00 C ATOM 558 C SER A 37 10.847 -0.436 10.129 1.00 0.00 C ATOM 559 O SER A 37 11.257 -0.404 11.288 1.00 0.00 O ATOM 560 CB SER A 37 12.549 -1.167 8.451 1.00 0.00 C ATOM 561 OG SER A 37 12.509 -1.585 7.094 1.00 0.00 O ATOM 0 H SER A 37 10.051 -1.126 7.540 1.00 0.00 H new ATOM 0 HA SER A 37 11.450 -2.452 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.682 -0.086 8.498 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.409 -1.616 8.948 1.00 0.00 H new ATOM 0 HG SER A 37 12.707 -0.823 6.511 1.00 0.00 H new ATOM 567 N CYS A 38 10.128 0.541 9.594 1.00 0.00 N ATOM 568 CA CYS A 38 9.777 1.732 10.357 1.00 0.00 C ATOM 569 C CYS A 38 8.327 1.728 10.830 1.00 0.00 C ATOM 570 O CYS A 38 8.028 2.230 11.912 1.00 0.00 O ATOM 571 CB CYS A 38 10.027 2.968 9.504 1.00 0.00 C ATOM 572 SG CYS A 38 11.685 3.021 8.761 1.00 0.00 S ATOM 0 H CYS A 38 9.777 0.533 8.636 1.00 0.00 H new ATOM 0 HA CYS A 38 10.405 1.741 11.248 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.281 3.007 8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.885 3.857 10.118 1.00 0.00 H new ATOM 0 HG CYS A 38 11.776 2.110 7.838 1.00 0.00 H new ATOM 577 N GLN A 39 7.429 1.290 9.953 1.00 0.00 N ATOM 578 CA GLN A 39 5.983 1.312 10.202 1.00 0.00 C ATOM 579 C GLN A 39 5.404 2.728 10.080 1.00 0.00 C ATOM 580 O GLN A 39 4.282 2.912 9.613 1.00 0.00 O ATOM 581 CB GLN A 39 5.640 0.711 11.572 1.00 0.00 C ATOM 582 CG GLN A 39 5.301 -0.771 11.520 1.00 0.00 C ATOM 583 CD GLN A 39 6.522 -1.656 11.685 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.529 -1.249 12.264 1.00 0.00 O ATOM 585 NE2 GLN A 39 6.439 -2.876 11.175 1.00 0.00 N ATOM 0 H GLN A 39 7.681 0.906 9.042 1.00 0.00 H new ATOM 0 HA GLN A 39 5.522 0.694 9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.484 0.859 12.246 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.795 1.254 11.996 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.581 -1.003 12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.820 -0.996 10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.586 -3.174 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.228 -3.517 11.255 1.00 0.00 H new ATOM 594 N ALA A 40 6.147 3.724 10.526 1.00 0.00 N ATOM 595 CA ALA A 40 5.652 5.096 10.523 1.00 0.00 C ATOM 596 C ALA A 40 6.196 5.894 9.343 1.00 0.00 C ATOM 597 O ALA A 40 5.619 6.908 8.952 1.00 0.00 O ATOM 598 CB ALA A 40 6.007 5.786 11.830 1.00 0.00 C ATOM 0 H ALA A 40 7.092 3.614 10.894 1.00 0.00 H new ATOM 0 HA ALA A 40 4.568 5.053 10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.632 6.809 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.554 5.246 12.661 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.090 5.798 11.952 1.00 0.00 H new ATOM 604 N GLN A 41 7.363 5.496 8.857 1.00 0.00 N ATOM 605 CA GLN A 41 8.077 6.257 7.831 1.00 0.00 C ATOM 606 C GLN A 41 7.312 6.333 6.513 1.00 0.00 C ATOM 607 O GLN A 41 7.520 7.260 5.730 1.00 0.00 O ATOM 608 CB GLN A 41 9.454 5.640 7.588 1.00 0.00 C ATOM 609 CG GLN A 41 10.562 6.664 7.426 1.00 0.00 C ATOM 610 CD GLN A 41 11.241 6.993 8.740 1.00 0.00 C ATOM 611 OE1 GLN A 41 11.207 8.133 9.200 1.00 0.00 O ATOM 612 NE2 GLN A 41 11.848 5.992 9.359 1.00 0.00 N ATOM 0 H GLN A 41 7.841 4.646 9.156 1.00 0.00 H new ATOM 0 HA GLN A 41 8.180 7.275 8.206 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.699 4.981 8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.411 5.019 6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.303 6.285 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.150 7.576 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.852 5.061 8.941 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.312 6.152 10.253 1.00 0.00 H new ATOM 621 N LEU A 42 6.446 5.359 6.267 1.00 0.00 N ATOM 622 CA LEU A 42 5.701 5.288 5.010 1.00 0.00 C ATOM 623 C LEU A 42 4.830 6.523 4.805 1.00 0.00 C ATOM 624 O LEU A 42 4.628 6.973 3.677 1.00 0.00 O ATOM 625 CB LEU A 42 4.839 4.022 4.978 1.00 0.00 C ATOM 626 CG LEU A 42 5.409 2.857 4.157 1.00 0.00 C ATOM 627 CD1 LEU A 42 4.746 2.783 2.794 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.917 2.978 4.000 1.00 0.00 C ATOM 0 H LEU A 42 6.239 4.604 6.921 1.00 0.00 H new ATOM 0 HA LEU A 42 6.424 5.251 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.686 3.682 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.859 4.281 4.578 1.00 0.00 H new ATOM 0 HG LEU A 42 5.195 1.937 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.166 1.950 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.674 2.633 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.922 3.713 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.290 2.138 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.156 3.911 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.387 2.972 4.983 1.00 0.00 H new ATOM 640 N GLY A 43 4.361 7.100 5.901 1.00 0.00 N ATOM 641 CA GLY A 43 3.557 8.295 5.812 1.00 0.00 C ATOM 642 C GLY A 43 4.075 9.395 6.714 1.00 0.00 C ATOM 643 O GLY A 43 3.292 10.127 7.320 1.00 0.00 O ATOM 0 H GLY A 43 4.524 6.760 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.544 8.648 4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.527 8.060 6.081 1.00 0.00 H new ATOM 647 N ASP A 44 5.394 9.493 6.831 1.00 0.00 N ATOM 648 CA ASP A 44 6.010 10.493 7.703 1.00 0.00 C ATOM 649 C ASP A 44 6.950 11.401 6.921 1.00 0.00 C ATOM 650 O ASP A 44 6.736 12.607 6.839 1.00 0.00 O ATOM 651 CB ASP A 44 6.783 9.819 8.838 1.00 0.00 C ATOM 652 CG ASP A 44 7.244 10.803 9.897 1.00 0.00 C ATOM 653 OD1 ASP A 44 8.357 11.350 9.766 1.00 0.00 O ATOM 654 OD2 ASP A 44 6.505 11.018 10.881 1.00 0.00 O ATOM 0 H ASP A 44 6.057 8.896 6.337 1.00 0.00 H new ATOM 0 HA ASP A 44 5.207 11.098 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.152 9.061 9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.650 9.303 8.425 1.00 0.00 H new ATOM 659 N ILE A 45 8.001 10.813 6.361 1.00 0.00 N ATOM 660 CA ILE A 45 9.014 11.567 5.622 1.00 0.00 C ATOM 661 C ILE A 45 8.571 11.848 4.188 1.00 0.00 C ATOM 662 O ILE A 45 9.348 11.697 3.243 1.00 0.00 O ATOM 663 CB ILE A 45 10.357 10.802 5.591 1.00 0.00 C ATOM 664 CG1 ILE A 45 10.138 9.349 5.161 1.00 0.00 C ATOM 665 CG2 ILE A 45 11.027 10.857 6.953 1.00 0.00 C ATOM 666 CD1 ILE A 45 11.106 8.873 4.099 1.00 0.00 C ATOM 0 H ILE A 45 8.177 9.809 6.404 1.00 0.00 H new ATOM 0 HA ILE A 45 9.145 12.515 6.143 1.00 0.00 H new ATOM 0 HB ILE A 45 11.011 11.281 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.227 8.704 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.120 9.240 4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.971 10.314 6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.216 11.896 7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.375 10.401 7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.888 7.835 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.002 9.493 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.126 8.948 4.476 1.00 0.00 H new ATOM 677 N GLY A 46 7.305 12.193 4.026 1.00 0.00 N ATOM 678 CA GLY A 46 6.750 12.364 2.702 1.00 0.00 C ATOM 679 C GLY A 46 6.239 11.047 2.169 1.00 0.00 C ATOM 680 O GLY A 46 6.878 10.010 2.356 1.00 0.00 O ATOM 0 H GLY A 46 6.650 12.358 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.938 13.090 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.510 12.764 2.031 1.00 0.00 H new ATOM 684 N THR A 47 5.050 11.052 1.598 1.00 0.00 N ATOM 685 CA THR A 47 4.435 9.813 1.176 1.00 0.00 C ATOM 686 C THR A 47 5.047 9.331 -0.133 1.00 0.00 C ATOM 687 O THR A 47 4.789 9.883 -1.203 1.00 0.00 O ATOM 688 CB THR A 47 2.916 9.999 1.015 1.00 0.00 C ATOM 689 OG1 THR A 47 2.607 11.398 0.894 1.00 0.00 O ATOM 690 CG2 THR A 47 2.180 9.420 2.215 1.00 0.00 C ATOM 0 H THR A 47 4.498 11.890 1.418 1.00 0.00 H new ATOM 0 HA THR A 47 4.617 9.059 1.942 1.00 0.00 H new ATOM 0 HB THR A 47 2.595 9.474 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.639 11.511 0.790 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.107 9.560 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.400 8.356 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.505 9.930 3.122 1.00 0.00 H new ATOM 698 N SER A 48 5.903 8.319 -0.021 1.00 0.00 N ATOM 699 CA SER A 48 6.602 7.757 -1.169 1.00 0.00 C ATOM 700 C SER A 48 7.107 6.355 -0.851 1.00 0.00 C ATOM 701 O SER A 48 7.964 6.182 0.014 1.00 0.00 O ATOM 702 CB SER A 48 7.778 8.653 -1.574 1.00 0.00 C ATOM 703 OG SER A 48 7.932 9.750 -0.683 1.00 0.00 O ATOM 0 H SER A 48 6.130 7.868 0.865 1.00 0.00 H new ATOM 0 HA SER A 48 5.900 7.700 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.696 8.065 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.621 9.025 -2.586 1.00 0.00 H new ATOM 0 HG SER A 48 8.691 10.300 -0.969 1.00 0.00 H new ATOM 709 N SER A 49 6.568 5.360 -1.536 1.00 0.00 N ATOM 710 CA SER A 49 6.971 3.983 -1.316 1.00 0.00 C ATOM 711 C SER A 49 7.801 3.481 -2.495 1.00 0.00 C ATOM 712 O SER A 49 7.917 4.167 -3.512 1.00 0.00 O ATOM 713 CB SER A 49 5.730 3.113 -1.127 1.00 0.00 C ATOM 714 OG SER A 49 4.673 3.545 -1.971 1.00 0.00 O ATOM 0 H SER A 49 5.849 5.481 -2.250 1.00 0.00 H new ATOM 0 HA SER A 49 7.585 3.927 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.973 2.073 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.409 3.153 -0.086 1.00 0.00 H new ATOM 0 HG SER A 49 4.155 2.769 -2.270 1.00 0.00 H new ATOM 720 N TYR A 50 8.401 2.304 -2.346 1.00 0.00 N ATOM 721 CA TYR A 50 9.227 1.731 -3.402 1.00 0.00 C ATOM 722 C TYR A 50 8.975 0.232 -3.536 1.00 0.00 C ATOM 723 O TYR A 50 9.152 -0.526 -2.577 1.00 0.00 O ATOM 724 CB TYR A 50 10.705 1.990 -3.117 1.00 0.00 C ATOM 725 CG TYR A 50 11.237 3.241 -3.777 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.054 3.462 -5.134 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.931 4.198 -3.046 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.547 4.594 -5.743 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.429 5.333 -3.655 1.00 0.00 C ATOM 730 CZ TYR A 50 12.234 5.525 -5.004 1.00 0.00 C ATOM 731 OH TYR A 50 12.728 6.652 -5.620 1.00 0.00 O ATOM 0 H TYR A 50 8.331 1.730 -1.506 1.00 0.00 H new ATOM 0 HA TYR A 50 8.957 2.211 -4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.851 2.067 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.288 1.134 -3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.516 2.734 -5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.083 4.052 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 50 11.394 4.749 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.969 6.067 -3.075 1.00 0.00 H new ATOM 0 HH TYR A 50 12.464 7.446 -5.110 1.00 0.00 H new ATOM 741 N THR A 51 8.506 -0.180 -4.706 1.00 0.00 N ATOM 742 CA THR A 51 8.155 -1.571 -4.948 1.00 0.00 C ATOM 743 C THR A 51 9.354 -2.382 -5.440 1.00 0.00 C ATOM 744 O THR A 51 9.682 -2.370 -6.626 1.00 0.00 O ATOM 745 CB THR A 51 7.022 -1.674 -5.984 1.00 0.00 C ATOM 746 OG1 THR A 51 6.723 -0.373 -6.511 1.00 0.00 O ATOM 747 CG2 THR A 51 5.773 -2.271 -5.359 1.00 0.00 C ATOM 0 H THR A 51 8.359 0.435 -5.507 1.00 0.00 H new ATOM 0 HA THR A 51 7.823 -1.983 -3.995 1.00 0.00 H new ATOM 0 HB THR A 51 7.353 -2.327 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.002 -0.445 -7.171 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.985 -2.334 -6.110 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.996 -3.269 -4.982 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.440 -1.639 -4.536 1.00 0.00 H new ATOM 755 N LYS A 52 9.940 -3.166 -4.541 1.00 0.00 N ATOM 756 CA LYS A 52 11.007 -4.091 -4.903 1.00 0.00 C ATOM 757 C LYS A 52 11.084 -5.199 -3.862 1.00 0.00 C ATOM 758 O LYS A 52 10.860 -4.945 -2.674 1.00 0.00 O ATOM 759 CB LYS A 52 12.364 -3.376 -5.030 1.00 0.00 C ATOM 760 CG LYS A 52 12.467 -2.084 -4.245 1.00 0.00 C ATOM 761 CD LYS A 52 13.073 -2.312 -2.874 1.00 0.00 C ATOM 762 CE LYS A 52 12.210 -1.703 -1.787 1.00 0.00 C ATOM 763 NZ LYS A 52 10.913 -2.408 -1.658 1.00 0.00 N ATOM 0 H LYS A 52 9.692 -3.179 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 52 10.777 -4.518 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.150 -4.053 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.552 -3.163 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.076 -1.369 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.476 -1.643 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.186 -3.381 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.071 -1.876 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.741 -1.742 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.032 -0.651 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.682 -2.528 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.167 -1.850 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.979 -3.341 -2.112 1.00 0.00 H new ATOM 777 N SER A 53 11.358 -6.422 -4.312 1.00 0.00 N ATOM 778 CA SER A 53 11.471 -7.589 -3.425 1.00 0.00 C ATOM 779 C SER A 53 10.143 -7.949 -2.758 1.00 0.00 C ATOM 780 O SER A 53 10.099 -8.819 -1.886 1.00 0.00 O ATOM 781 CB SER A 53 12.528 -7.341 -2.344 1.00 0.00 C ATOM 782 OG SER A 53 13.623 -6.600 -2.858 1.00 0.00 O ATOM 0 H SER A 53 11.508 -6.637 -5.298 1.00 0.00 H new ATOM 0 HA SER A 53 11.769 -8.429 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.079 -6.801 -1.510 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.882 -8.295 -1.953 1.00 0.00 H new ATOM 0 HG SER A 53 14.462 -7.048 -2.621 1.00 0.00 H new ATOM 788 N GLY A 54 9.074 -7.252 -3.125 1.00 0.00 N ATOM 789 CA GLY A 54 7.787 -7.472 -2.488 1.00 0.00 C ATOM 790 C GLY A 54 7.798 -7.032 -1.036 1.00 0.00 C ATOM 791 O GLY A 54 6.939 -7.426 -0.247 1.00 0.00 O ATOM 0 H GLY A 54 9.075 -6.538 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.015 -6.924 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.528 -8.529 -2.546 1.00 0.00 H new ATOM 795 N MET A 55 8.809 -6.256 -0.673 1.00 0.00 N ATOM 796 CA MET A 55 8.991 -5.823 0.698 1.00 0.00 C ATOM 797 C MET A 55 8.777 -4.315 0.803 1.00 0.00 C ATOM 798 O MET A 55 9.410 -3.535 0.096 1.00 0.00 O ATOM 799 CB MET A 55 10.390 -6.247 1.182 1.00 0.00 C ATOM 800 CG MET A 55 11.268 -5.117 1.702 1.00 0.00 C ATOM 801 SD MET A 55 12.486 -4.590 0.479 1.00 0.00 S ATOM 802 CE MET A 55 13.853 -5.683 0.870 1.00 0.00 C ATOM 0 H MET A 55 9.520 -5.913 -1.319 1.00 0.00 H new ATOM 0 HA MET A 55 8.253 -6.298 1.344 1.00 0.00 H new ATOM 0 HB2 MET A 55 10.274 -6.988 1.973 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.908 -6.738 0.358 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.642 -4.269 1.979 1.00 0.00 H new ATOM 0 HG3 MET A 55 11.781 -5.443 2.607 1.00 0.00 H new ATOM 0 HE1 MET A 55 14.606 -5.619 0.085 1.00 0.00 H new ATOM 0 HE2 MET A 55 14.295 -5.387 1.821 1.00 0.00 H new ATOM 0 HE3 MET A 55 13.490 -6.708 0.942 1.00 0.00 H new ATOM 812 N ILE A 56 7.771 -3.924 1.560 1.00 0.00 N ATOM 813 CA ILE A 56 7.391 -2.519 1.660 1.00 0.00 C ATOM 814 C ILE A 56 8.459 -1.717 2.405 1.00 0.00 C ATOM 815 O ILE A 56 8.673 -1.910 3.601 1.00 0.00 O ATOM 816 CB ILE A 56 6.021 -2.356 2.360 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.917 -2.979 1.497 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.720 -0.886 2.636 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.516 -2.720 2.010 1.00 0.00 C ATOM 0 H ILE A 56 7.198 -4.557 2.118 1.00 0.00 H new ATOM 0 HA ILE A 56 7.306 -2.131 0.645 1.00 0.00 H new ATOM 0 HB ILE A 56 6.057 -2.875 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.999 -2.589 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.079 -4.055 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.751 -0.799 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.494 -0.471 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.699 -0.336 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.792 -3.193 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.413 -3.135 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.333 -1.646 2.041 1.00 0.00 H new ATOM 830 N LEU A 57 9.115 -0.812 1.690 1.00 0.00 N ATOM 831 CA LEU A 57 10.127 0.053 2.291 1.00 0.00 C ATOM 832 C LEU A 57 9.714 1.506 2.157 1.00 0.00 C ATOM 833 O LEU A 57 8.965 1.859 1.242 1.00 0.00 O ATOM 834 CB LEU A 57 11.494 -0.125 1.617 1.00 0.00 C ATOM 835 CG LEU A 57 12.201 -1.457 1.866 1.00 0.00 C ATOM 836 CD1 LEU A 57 13.604 -1.427 1.274 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.255 -1.774 3.353 1.00 0.00 C ATOM 0 H LEU A 57 8.966 -0.656 0.693 1.00 0.00 H new ATOM 0 HA LEU A 57 10.210 -0.227 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.364 -0.002 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.149 0.679 1.953 1.00 0.00 H new ATOM 0 HG LEU A 57 11.631 -2.245 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.097 -2.382 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.542 -1.252 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.178 -0.626 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.763 -2.727 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.800 -0.986 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.241 -1.837 3.749 1.00 0.00 H new ATOM 849 N CYS A 58 10.331 2.357 2.958 1.00 0.00 N ATOM 850 CA CYS A 58 10.150 3.783 2.824 1.00 0.00 C ATOM 851 C CYS A 58 11.125 4.321 1.785 1.00 0.00 C ATOM 852 O CYS A 58 12.013 3.598 1.319 1.00 0.00 O ATOM 853 CB CYS A 58 10.374 4.475 4.172 1.00 0.00 C ATOM 854 SG CYS A 58 11.940 4.027 4.992 1.00 0.00 S ATOM 0 H CYS A 58 10.963 2.079 3.709 1.00 0.00 H new ATOM 0 HA CYS A 58 9.130 3.987 2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.352 5.554 4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.546 4.228 4.836 1.00 0.00 H new ATOM 0 HG CYS A 58 11.704 3.698 6.227 1.00 0.00 H new ATOM 859 N ARG A 59 10.992 5.594 1.465 1.00 0.00 N ATOM 860 CA ARG A 59 11.885 6.237 0.516 1.00 0.00 C ATOM 861 C ARG A 59 13.307 6.300 1.070 1.00 0.00 C ATOM 862 O ARG A 59 14.280 6.273 0.315 1.00 0.00 O ATOM 863 CB ARG A 59 11.384 7.646 0.193 1.00 0.00 C ATOM 864 CG ARG A 59 11.228 7.911 -1.294 1.00 0.00 C ATOM 865 CD ARG A 59 12.551 8.282 -1.940 1.00 0.00 C ATOM 866 NE ARG A 59 13.096 9.521 -1.399 1.00 0.00 N ATOM 867 CZ ARG A 59 13.238 10.642 -2.101 1.00 0.00 C ATOM 868 NH1 ARG A 59 12.836 10.697 -3.370 1.00 0.00 N ATOM 869 NH2 ARG A 59 13.769 11.715 -1.527 1.00 0.00 N ATOM 0 H ARG A 59 10.272 6.206 1.849 1.00 0.00 H new ATOM 0 HA ARG A 59 11.898 5.646 -0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.423 7.802 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.078 8.374 0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.821 7.025 -1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.510 8.717 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.267 7.475 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.412 8.387 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 59 13.387 9.529 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.417 9.877 -3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.947 11.559 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.066 11.677 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.880 12.577 -2.061 1.00 0.00 H new ATOM 883 N ASN A 60 13.419 6.349 2.393 1.00 0.00 N ATOM 884 CA ASN A 60 14.720 6.419 3.047 1.00 0.00 C ATOM 885 C ASN A 60 15.350 5.036 3.176 1.00 0.00 C ATOM 886 O ASN A 60 16.561 4.881 3.017 1.00 0.00 O ATOM 887 CB ASN A 60 14.597 7.065 4.431 1.00 0.00 C ATOM 888 CG ASN A 60 15.947 7.281 5.091 1.00 0.00 C ATOM 889 OD1 ASN A 60 16.787 8.031 4.591 1.00 0.00 O ATOM 890 ND2 ASN A 60 16.171 6.624 6.218 1.00 0.00 N ATOM 0 H ASN A 60 12.625 6.342 3.033 1.00 0.00 H new ATOM 0 HA ASN A 60 15.367 7.036 2.423 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.084 8.022 4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.980 6.433 5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.063 6.730 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.452 6.011 6.603 1.00 0.00 H new ATOM 897 N ASP A 61 14.530 4.028 3.466 1.00 0.00 N ATOM 898 CA ASP A 61 15.033 2.668 3.638 1.00 0.00 C ATOM 899 C ASP A 61 15.494 2.100 2.314 1.00 0.00 C ATOM 900 O ASP A 61 16.433 1.306 2.259 1.00 0.00 O ATOM 901 CB ASP A 61 13.977 1.757 4.254 1.00 0.00 C ATOM 902 CG ASP A 61 14.103 1.685 5.759 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.189 2.033 6.289 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.140 1.259 6.420 1.00 0.00 O ATOM 0 H ASP A 61 13.522 4.126 3.586 1.00 0.00 H new ATOM 0 HA ASP A 61 15.882 2.716 4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.984 2.122 3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.071 0.756 3.833 1.00 0.00 H new ATOM 909 N TYR A 62 14.894 2.583 1.239 1.00 0.00 N ATOM 910 CA TYR A 62 15.326 2.205 -0.091 1.00 0.00 C ATOM 911 C TYR A 62 16.778 2.609 -0.302 1.00 0.00 C ATOM 912 O TYR A 62 17.597 1.796 -0.706 1.00 0.00 O ATOM 913 CB TYR A 62 14.451 2.853 -1.157 1.00 0.00 C ATOM 914 CG TYR A 62 14.712 2.312 -2.544 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.303 1.034 -2.889 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.378 3.070 -3.499 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.544 0.522 -4.149 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.626 2.565 -4.761 1.00 0.00 C ATOM 919 CZ TYR A 62 15.207 1.291 -5.083 1.00 0.00 C ATOM 920 OH TYR A 62 15.453 0.790 -6.342 1.00 0.00 O ATOM 0 H TYR A 62 14.110 3.235 1.263 1.00 0.00 H new ATOM 0 HA TYR A 62 15.233 1.123 -0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.403 2.696 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.622 3.929 -1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.787 0.427 -2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.707 4.069 -3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.215 -0.475 -4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.146 3.166 -5.493 1.00 0.00 H new ATOM 0 HH TYR A 62 15.928 1.462 -6.874 1.00 0.00 H new ATOM 930 N ILE A 63 17.109 3.840 0.061 1.00 0.00 N ATOM 931 CA ILE A 63 18.478 4.320 -0.053 1.00 0.00 C ATOM 932 C ILE A 63 19.371 3.658 0.995 1.00 0.00 C ATOM 933 O ILE A 63 20.571 3.488 0.788 1.00 0.00 O ATOM 934 CB ILE A 63 18.561 5.853 0.091 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.381 6.520 -0.622 1.00 0.00 C ATOM 936 CG2 ILE A 63 19.882 6.369 -0.466 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.317 8.019 -0.431 1.00 0.00 C ATOM 0 H ILE A 63 16.450 4.523 0.436 1.00 0.00 H new ATOM 0 HA ILE A 63 18.829 4.052 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 63 18.512 6.105 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.443 6.302 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 63 16.453 6.078 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.924 7.453 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.709 5.916 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.959 6.108 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.455 8.417 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.222 8.247 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.228 8.475 -0.820 1.00 0.00 H new ATOM 948 N ARG A 64 18.760 3.246 2.100 1.00 0.00 N ATOM 949 CA ARG A 64 19.476 2.577 3.180 1.00 0.00 C ATOM 950 C ARG A 64 20.061 1.245 2.714 1.00 0.00 C ATOM 951 O ARG A 64 21.202 0.914 3.034 1.00 0.00 O ATOM 952 CB ARG A 64 18.538 2.337 4.365 1.00 0.00 C ATOM 953 CG ARG A 64 19.068 2.856 5.687 1.00 0.00 C ATOM 954 CD ARG A 64 19.034 1.781 6.762 1.00 0.00 C ATOM 955 NE ARG A 64 17.681 1.266 6.994 1.00 0.00 N ATOM 956 CZ ARG A 64 17.406 0.166 7.699 1.00 0.00 C ATOM 957 NH1 ARG A 64 18.384 -0.539 8.256 1.00 0.00 N ATOM 958 NH2 ARG A 64 16.144 -0.219 7.850 1.00 0.00 N ATOM 0 H ARG A 64 17.762 3.365 2.272 1.00 0.00 H new ATOM 0 HA ARG A 64 20.296 3.225 3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.579 2.812 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 64 18.350 1.267 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.091 3.209 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.474 3.712 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 64 19.688 0.959 6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.429 2.189 7.692 1.00 0.00 H new ATOM 0 HE ARG A 64 16.899 1.782 6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 64 19.353 -0.241 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.166 -1.378 8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.391 0.325 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.928 -1.058 8.387 1.00 0.00 H new ATOM 972 N LEU A 65 19.246 0.441 2.044 1.00 0.00 N ATOM 973 CA LEU A 65 19.663 -0.903 1.654 1.00 0.00 C ATOM 974 C LEU A 65 19.980 -0.996 0.163 1.00 0.00 C ATOM 975 O LEU A 65 20.929 -1.670 -0.234 1.00 0.00 O ATOM 976 CB LEU A 65 18.579 -1.921 2.019 1.00 0.00 C ATOM 977 CG LEU A 65 17.813 -1.625 3.311 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.478 -2.349 3.317 1.00 0.00 C ATOM 979 CD2 LEU A 65 18.637 -2.020 4.527 1.00 0.00 C ATOM 0 H LEU A 65 18.299 0.692 1.760 1.00 0.00 H new ATOM 0 HA LEU A 65 20.578 -1.130 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 65 17.865 -1.977 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.042 -2.904 2.107 1.00 0.00 H new ATOM 0 HG LEU A 65 17.625 -0.552 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.948 -2.127 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.880 -2.017 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.646 -3.423 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.074 -1.801 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 65 18.859 -3.086 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.570 -1.456 4.534 1.00 0.00 H new ATOM 991 N PHE A 66 19.147 -0.380 -0.663 1.00 0.00 N ATOM 992 CA PHE A 66 19.292 -0.477 -2.116 1.00 0.00 C ATOM 993 C PHE A 66 20.082 0.701 -2.676 1.00 0.00 C ATOM 994 O PHE A 66 20.556 0.658 -3.811 1.00 0.00 O ATOM 995 CB PHE A 66 17.914 -0.533 -2.784 1.00 0.00 C ATOM 996 CG PHE A 66 17.230 -1.870 -2.667 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.867 -2.374 -1.429 1.00 0.00 C ATOM 998 CD2 PHE A 66 16.949 -2.621 -3.799 1.00 0.00 C ATOM 999 CE1 PHE A 66 16.241 -3.599 -1.318 1.00 0.00 C ATOM 1000 CE2 PHE A 66 16.322 -3.849 -3.694 1.00 0.00 C ATOM 1001 CZ PHE A 66 15.967 -4.338 -2.452 1.00 0.00 C ATOM 0 H PHE A 66 18.362 0.194 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 66 19.841 -1.394 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.275 0.230 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 66 18.023 -0.283 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.077 -1.800 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.223 -2.243 -4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.966 -3.979 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.110 -4.425 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 66 15.476 -5.296 -2.368 1.00 0.00 H new ATOM 1011 N GLY A 67 20.163 1.776 -1.903 1.00 0.00 N ATOM 1012 CA GLY A 67 20.831 2.979 -2.361 1.00 0.00 C ATOM 1013 C GLY A 67 22.339 2.867 -2.308 1.00 0.00 C ATOM 1014 O GLY A 67 22.974 3.404 -1.401 1.00 0.00 O ATOM 0 H GLY A 67 19.776 1.836 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.523 3.193 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.512 3.822 -1.749 1.00 0.00 H new ATOM 1424 N GLU A 102 8.411 5.667 -7.638 1.00 0.00 N ATOM 1425 CA GLU A 102 7.777 6.389 -6.544 1.00 0.00 C ATOM 1426 C GLU A 102 6.333 6.746 -6.881 1.00 0.00 C ATOM 1427 O GLU A 102 5.747 6.183 -7.810 1.00 0.00 O ATOM 1428 CB GLU A 102 8.560 7.668 -6.250 1.00 0.00 C ATOM 1429 CG GLU A 102 9.438 7.587 -5.016 1.00 0.00 C ATOM 1430 CD GLU A 102 10.201 8.870 -4.774 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.558 9.898 -4.472 1.00 0.00 O ATOM 1432 OE2 GLU A 102 11.444 8.862 -4.895 1.00 0.00 O ATOM 0 HA GLU A 102 7.776 5.742 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.184 7.905 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.857 8.492 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.820 7.364 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.142 6.762 -5.127 1.00 0.00 H new ATOM 1439 N ARG A 103 5.801 7.747 -6.168 1.00 0.00 N ATOM 1440 CA ARG A 103 4.460 8.279 -6.416 1.00 0.00 C ATOM 1441 C ARG A 103 3.395 7.189 -6.348 1.00 0.00 C ATOM 1442 O ARG A 103 2.372 7.261 -7.030 1.00 0.00 O ATOM 1443 CB ARG A 103 4.407 8.981 -7.774 1.00 0.00 C ATOM 1444 CG ARG A 103 4.280 10.490 -7.670 1.00 0.00 C ATOM 1445 CD ARG A 103 3.727 11.091 -8.949 1.00 0.00 C ATOM 1446 NE ARG A 103 2.323 11.465 -8.815 1.00 0.00 N ATOM 1447 CZ ARG A 103 1.898 12.719 -8.625 1.00 0.00 C ATOM 1448 NH1 ARG A 103 2.775 13.707 -8.485 1.00 0.00 N ATOM 1449 NH2 ARG A 103 0.597 12.974 -8.553 1.00 0.00 N ATOM 0 H ARG A 103 6.291 8.210 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 103 4.246 9.002 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.309 8.738 -8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.563 8.591 -8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.627 10.745 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.256 10.924 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.312 11.970 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.835 10.374 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 103 1.623 10.725 -8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.775 13.510 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.448 14.662 -8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.077 12.214 -8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.272 13.930 -8.408 1.00 0.00 H new ATOM 1463 N LEU A 104 3.647 6.175 -5.531 1.00 0.00 N ATOM 1464 CA LEU A 104 2.720 5.061 -5.393 1.00 0.00 C ATOM 1465 C LEU A 104 1.664 5.356 -4.339 1.00 0.00 C ATOM 1466 O LEU A 104 0.603 4.733 -4.329 1.00 0.00 O ATOM 1467 CB LEU A 104 3.467 3.783 -5.014 1.00 0.00 C ATOM 1468 CG LEU A 104 4.361 3.203 -6.103 1.00 0.00 C ATOM 1469 CD1 LEU A 104 5.523 2.450 -5.481 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.558 2.290 -7.014 1.00 0.00 C ATOM 0 H LEU A 104 4.485 6.101 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 104 2.229 4.921 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.079 3.987 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.737 3.027 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 104 4.760 4.021 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.155 2.040 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.109 3.131 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.141 1.637 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.210 1.883 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.135 1.473 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.753 2.858 -7.480 1.00 0.00 H new ATOM 1482 N ILE A 105 1.983 6.253 -3.415 1.00 0.00 N ATOM 1483 CA ILE A 105 1.077 6.561 -2.322 1.00 0.00 C ATOM 1484 C ILE A 105 0.179 7.748 -2.654 1.00 0.00 C ATOM 1485 O ILE A 105 0.645 8.870 -2.845 1.00 0.00 O ATOM 1486 CB ILE A 105 1.826 6.848 -1.002 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.773 5.698 -0.651 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.827 7.069 0.125 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.542 5.915 0.635 1.00 0.00 C ATOM 0 H ILE A 105 2.858 6.776 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 105 0.462 5.671 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 105 2.422 7.751 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.197 4.777 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.481 5.559 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.363 7.271 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.188 7.918 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.213 6.176 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.192 5.060 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.146 6.818 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.842 6.023 1.464 1.00 0.00 H new ATOM 1500 N THR A 106 -1.112 7.487 -2.643 1.00 0.00 N ATOM 1501 CA THR A 106 -2.122 8.503 -2.848 1.00 0.00 C ATOM 1502 C THR A 106 -2.785 8.852 -1.514 1.00 0.00 C ATOM 1503 O THR A 106 -3.248 7.965 -0.798 1.00 0.00 O ATOM 1504 CB THR A 106 -3.198 7.996 -3.828 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.686 6.890 -4.586 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.658 9.089 -4.777 1.00 0.00 C ATOM 0 H THR A 106 -1.493 6.553 -2.490 1.00 0.00 H new ATOM 0 HA THR A 106 -1.643 9.389 -3.265 1.00 0.00 H new ATOM 0 HB THR A 106 -4.057 7.678 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.375 6.571 -5.206 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.416 8.690 -5.451 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.080 9.915 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.808 9.448 -5.358 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.841 10.134 -1.185 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.502 10.572 0.038 1.00 0.00 C ATOM 1516 C ARG A 107 -4.809 11.273 -0.310 1.00 0.00 C ATOM 1517 O ARG A 107 -4.809 12.406 -0.803 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.582 11.497 0.852 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.315 12.389 1.846 1.00 0.00 C ATOM 1520 CD ARG A 107 -3.464 11.727 3.209 1.00 0.00 C ATOM 1521 NE ARG A 107 -2.524 12.274 4.189 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.784 13.319 4.978 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -3.993 13.870 4.988 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -1.837 13.796 5.773 1.00 0.00 N ATOM 0 H ARG A 107 -2.439 10.887 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.724 9.701 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.859 10.887 1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.017 12.126 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.773 13.328 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.302 12.634 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.484 11.864 3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.302 10.654 3.111 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.611 11.828 4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.729 13.495 4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.185 14.668 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.913 13.365 5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.032 14.594 6.377 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.910 10.564 -0.126 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.222 11.095 -0.450 1.00 0.00 C ATOM 1540 C LEU A 108 -8.266 10.576 0.530 1.00 0.00 C ATOM 1541 O LEU A 108 -8.699 9.427 0.445 1.00 0.00 O ATOM 1542 CB LEU A 108 -7.614 10.738 -1.885 1.00 0.00 C ATOM 1543 CG LEU A 108 -8.640 11.675 -2.525 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -8.171 12.122 -3.899 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -9.994 10.992 -2.618 1.00 0.00 C ATOM 0 H LEU A 108 -5.920 9.615 0.248 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.178 12.181 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.715 10.733 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.014 9.724 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.742 12.559 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.914 12.788 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.221 12.649 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.041 11.250 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.713 11.671 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.907 10.092 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.335 10.722 -1.618 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.663 11.437 1.448 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.680 11.111 2.432 1.00 0.00 C ATOM 1559 C GLU A 109 -11.040 10.993 1.753 1.00 0.00 C ATOM 1560 O GLU A 109 -11.164 11.299 0.569 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.720 12.186 3.525 1.00 0.00 C ATOM 1562 CG GLU A 109 -8.381 12.409 4.218 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.425 13.264 3.407 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.863 13.891 2.420 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -6.226 13.302 3.739 1.00 0.00 O ATOM 0 H GLU A 109 -8.290 12.382 1.533 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.435 10.155 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.052 13.126 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.462 11.904 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.553 12.884 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.916 11.443 4.416 1.00 0.00 H new