USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 71 LYS NZ :NH3+ -159:sc= 0.151 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.00967 K(o=0.16,f=-3.3) USER MOD Set 2.1: A 16 GLN : amide:sc= -1.01 K(o=-0.62,f=-5.3!) USER MOD Set 2.2: A 91 ASN : amide:sc= 0.392 K(o=-0.62,f=-3.8) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -170:sc= 0.166 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 170:sc= 0.392 USER MOD Single : A 34 MET CE :methyl -122:sc= -7.44! (180deg=-11.8!) USER MOD Single : A 35 CYS SG : rot 97:sc= 0.583 USER MOD Single : A 36 SER OG : rot -40:sc= 0.726 USER MOD Single : A 37 THR OG1 : rot 101:sc= 1.3 USER MOD Single : A 38 TYR OH : rot 170:sc= 0.038 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 90:sc= 1.26 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -140:sc= -2.8! USER MOD Single : A 69 LYS NZ :NH3+ -141:sc= -0.0736 (180deg=-1.84!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.09 K(o=0.09,f=-5.3!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 175:sc= -0.876 (180deg=-0.939) USER MOD Single : A 83 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.021) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 88 ASN : amide:sc= 0.749 K(o=0.75,f=-0.0039) USER MOD Single : A 89 GLN : amide:sc= 0.00901 K(o=0.009,f=-2.4!) USER MOD Single : A 98 ASN : amide:sc= -0.0931 X(o=-0.093,f=-0.064) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -93:sc= 0.0405 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.165 4.180 9.909 1.00 20.50 N ATOM 116 CA ILE A 10 -5.964 3.784 9.178 1.00 75.24 C ATOM 117 C ILE A 10 -5.343 5.010 8.503 1.00 34.12 C ATOM 118 O ILE A 10 -6.040 5.735 7.792 1.00 24.14 O ATOM 119 CB ILE A 10 -6.340 2.693 8.139 1.00 23.10 C ATOM 120 CG1 ILE A 10 -6.944 1.420 8.775 1.00 12.45 C ATOM 121 CG2 ILE A 10 -5.104 2.279 7.325 1.00 34.54 C ATOM 122 CD1 ILE A 10 -7.718 0.544 7.784 1.00 21.14 C ATOM 0 HA ILE A 10 -5.224 3.369 9.863 1.00 75.24 H new ATOM 0 HB ILE A 10 -7.099 3.145 7.501 1.00 23.10 H new ATOM 0 HG12 ILE A 10 -6.142 0.830 9.218 1.00 12.45 H new ATOM 0 HG13 ILE A 10 -7.611 1.711 9.587 1.00 12.45 H new ATOM 0 HG21 ILE A 10 -5.385 1.514 6.601 1.00 34.54 H new ATOM 0 HG22 ILE A 10 -4.707 3.147 6.799 1.00 34.54 H new ATOM 0 HG23 ILE A 10 -4.343 1.882 7.996 1.00 34.54 H new ATOM 0 HD11 ILE A 10 -8.112 -0.330 8.302 1.00 21.14 H new ATOM 0 HD12 ILE A 10 -8.542 1.117 7.359 1.00 21.14 H new ATOM 0 HD13 ILE A 10 -7.050 0.222 6.985 1.00 21.14 H new ATOM 134 N LYS A 11 -4.035 5.238 8.673 1.00 22.14 N ATOM 135 CA LYS A 11 -3.309 6.322 7.986 1.00 25.21 C ATOM 136 C LYS A 11 -2.080 5.835 7.230 1.00 2.22 C ATOM 137 O LYS A 11 -1.272 6.638 6.771 1.00 14.12 O ATOM 138 CB LYS A 11 -2.913 7.458 8.945 1.00 11.23 C ATOM 139 CG LYS A 11 -4.025 8.008 9.843 1.00 3.12 C ATOM 140 CD LYS A 11 -5.131 8.777 9.112 1.00 10.24 C ATOM 141 CE LYS A 11 -6.196 9.154 10.152 1.00 43.15 C ATOM 142 NZ LYS A 11 -6.901 10.403 9.808 1.00 53.31 N ATOM 0 H LYS A 11 -3.447 4.678 9.290 1.00 22.14 H new ATOM 0 HA LYS A 11 -4.016 6.713 7.254 1.00 25.21 H new ATOM 0 HB2 LYS A 11 -2.104 7.101 9.582 1.00 11.23 H new ATOM 0 HB3 LYS A 11 -2.513 8.281 8.353 1.00 11.23 H new ATOM 0 HG2 LYS A 11 -4.478 7.177 10.384 1.00 3.12 H new ATOM 0 HG3 LYS A 11 -3.577 8.666 10.587 1.00 3.12 H new ATOM 0 HD2 LYS A 11 -4.727 9.670 8.636 1.00 10.24 H new ATOM 0 HD3 LYS A 11 -5.566 8.165 8.322 1.00 10.24 H new ATOM 0 HE2 LYS A 11 -6.920 8.343 10.237 1.00 43.15 H new ATOM 0 HE3 LYS A 11 -5.724 9.264 11.128 1.00 43.15 H new ATOM 0 HZ1 LYS A 11 -7.609 10.615 10.540 1.00 53.31 H new ATOM 0 HZ2 LYS A 11 -6.216 11.184 9.752 1.00 53.31 H new ATOM 0 HZ3 LYS A 11 -7.375 10.292 8.889 1.00 53.31 H new ATOM 156 N GLU A 12 -1.942 4.533 7.049 1.00 61.14 N ATOM 157 CA GLU A 12 -0.931 3.946 6.179 1.00 32.03 C ATOM 158 C GLU A 12 -1.386 2.532 5.831 1.00 14.51 C ATOM 159 O GLU A 12 -2.259 1.977 6.495 1.00 14.43 O ATOM 160 CB GLU A 12 0.453 4.017 6.859 1.00 21.41 C ATOM 161 CG GLU A 12 0.868 2.803 7.674 1.00 35.34 C ATOM 162 CD GLU A 12 1.778 3.193 8.830 1.00 61.01 C ATOM 163 OE1 GLU A 12 1.338 3.881 9.781 1.00 72.53 O ATOM 164 OE2 GLU A 12 2.978 2.842 8.782 1.00 21.14 O ATOM 0 H GLU A 12 -2.536 3.842 7.507 1.00 61.14 H new ATOM 0 HA GLU A 12 -0.821 4.497 5.245 1.00 32.03 H new ATOM 0 HB2 GLU A 12 1.205 4.184 6.087 1.00 21.41 H new ATOM 0 HB3 GLU A 12 0.468 4.889 7.513 1.00 21.41 H new ATOM 0 HG2 GLU A 12 -0.020 2.302 8.061 1.00 35.34 H new ATOM 0 HG3 GLU A 12 1.381 2.089 7.030 1.00 35.34 H new ATOM 171 N ILE A 13 -0.805 1.941 4.800 1.00 72.24 N ATOM 172 CA ILE A 13 -1.119 0.585 4.357 1.00 44.12 C ATOM 173 C ILE A 13 0.186 -0.124 4.004 1.00 2.11 C ATOM 174 O ILE A 13 1.227 0.531 3.856 1.00 64.24 O ATOM 175 CB ILE A 13 -2.100 0.632 3.166 1.00 1.14 C ATOM 176 CG1 ILE A 13 -1.610 1.596 2.065 1.00 71.35 C ATOM 177 CG2 ILE A 13 -3.512 1.023 3.630 1.00 3.14 C ATOM 178 CD1 ILE A 13 -1.835 1.018 0.672 1.00 13.13 C ATOM 0 H ILE A 13 -0.088 2.395 4.234 1.00 72.24 H new ATOM 0 HA ILE A 13 -1.612 0.024 5.151 1.00 44.12 H new ATOM 0 HB ILE A 13 -2.140 -0.371 2.741 1.00 1.14 H new ATOM 0 HG12 ILE A 13 -2.134 2.547 2.154 1.00 71.35 H new ATOM 0 HG13 ILE A 13 -0.549 1.802 2.207 1.00 71.35 H new ATOM 0 HG21 ILE A 13 -4.183 1.049 2.771 1.00 3.14 H new ATOM 0 HG22 ILE A 13 -3.874 0.290 4.352 1.00 3.14 H new ATOM 0 HG23 ILE A 13 -3.482 2.008 4.097 1.00 3.14 H new ATOM 0 HD11 ILE A 13 -1.478 1.725 -0.077 1.00 13.13 H new ATOM 0 HD12 ILE A 13 -1.289 0.079 0.575 1.00 13.13 H new ATOM 0 HD13 ILE A 13 -2.899 0.836 0.521 1.00 13.13 H new ATOM 190 N ILE A 14 0.159 -1.448 3.847 1.00 13.52 N ATOM 191 CA ILE A 14 1.340 -2.269 3.624 1.00 63.12 C ATOM 192 C ILE A 14 1.038 -3.244 2.478 1.00 13.53 C ATOM 193 O ILE A 14 0.400 -4.274 2.675 1.00 20.43 O ATOM 194 CB ILE A 14 1.796 -2.927 4.954 1.00 45.11 C ATOM 195 CG1 ILE A 14 2.180 -1.857 5.999 1.00 3.15 C ATOM 196 CG2 ILE A 14 2.954 -3.920 4.714 1.00 5.12 C ATOM 197 CD1 ILE A 14 2.502 -2.432 7.379 1.00 10.24 C ATOM 0 H ILE A 14 -0.706 -1.987 3.873 1.00 13.52 H new ATOM 0 HA ILE A 14 2.197 -1.675 3.308 1.00 63.12 H new ATOM 0 HB ILE A 14 0.955 -3.493 5.354 1.00 45.11 H new ATOM 0 HG12 ILE A 14 3.045 -1.301 5.636 1.00 3.15 H new ATOM 0 HG13 ILE A 14 1.361 -1.145 6.094 1.00 3.15 H new ATOM 0 HG21 ILE A 14 3.253 -4.366 5.662 1.00 5.12 H new ATOM 0 HG22 ILE A 14 2.625 -4.704 4.032 1.00 5.12 H new ATOM 0 HG23 ILE A 14 3.802 -3.392 4.278 1.00 5.12 H new ATOM 0 HD11 ILE A 14 2.763 -1.621 8.059 1.00 10.24 H new ATOM 0 HD12 ILE A 14 1.631 -2.963 7.764 1.00 10.24 H new ATOM 0 HD13 ILE A 14 3.342 -3.122 7.299 1.00 10.24 H new ATOM 209 N ILE A 15 1.511 -2.943 1.269 1.00 12.12 N ATOM 210 CA ILE A 15 1.497 -3.872 0.151 1.00 4.33 C ATOM 211 C ILE A 15 2.383 -5.037 0.566 1.00 22.30 C ATOM 212 O ILE A 15 3.599 -4.890 0.750 1.00 44.43 O ATOM 213 CB ILE A 15 1.968 -3.227 -1.173 1.00 74.23 C ATOM 214 CG1 ILE A 15 1.208 -1.939 -1.568 1.00 43.05 C ATOM 215 CG2 ILE A 15 1.866 -4.262 -2.311 1.00 11.14 C ATOM 216 CD1 ILE A 15 -0.295 -1.927 -1.254 1.00 32.32 C ATOM 0 H ILE A 15 1.918 -2.036 1.041 1.00 12.12 H new ATOM 0 HA ILE A 15 0.480 -4.202 -0.060 1.00 4.33 H new ATOM 0 HB ILE A 15 3.001 -2.920 -1.009 1.00 74.23 H new ATOM 0 HG12 ILE A 15 1.673 -1.095 -1.059 1.00 43.05 H new ATOM 0 HG13 ILE A 15 1.338 -1.777 -2.638 1.00 43.05 H new ATOM 0 HG21 ILE A 15 2.198 -3.809 -3.245 1.00 11.14 H new ATOM 0 HG22 ILE A 15 2.497 -5.120 -2.080 1.00 11.14 H new ATOM 0 HG23 ILE A 15 0.831 -4.589 -2.414 1.00 11.14 H new ATOM 0 HD11 ILE A 15 -0.726 -0.978 -1.573 1.00 32.32 H new ATOM 0 HD12 ILE A 15 -0.784 -2.744 -1.785 1.00 32.32 H new ATOM 0 HD13 ILE A 15 -0.444 -2.051 -0.181 1.00 32.32 H new ATOM 228 N GLN A 16 1.767 -6.193 0.789 1.00 41.11 N ATOM 229 CA GLN A 16 2.483 -7.390 1.137 1.00 3.12 C ATOM 230 C GLN A 16 3.453 -7.813 0.027 1.00 15.35 C ATOM 231 O GLN A 16 3.225 -7.562 -1.149 1.00 32.32 O ATOM 232 CB GLN A 16 1.487 -8.501 1.475 1.00 42.24 C ATOM 233 CG GLN A 16 2.145 -9.589 2.327 1.00 51.41 C ATOM 234 CD GLN A 16 1.261 -10.164 3.424 1.00 21.11 C ATOM 235 OE1 GLN A 16 0.086 -10.443 3.226 1.00 23.03 O ATOM 236 NE2 GLN A 16 1.864 -10.381 4.582 1.00 23.51 N ATOM 0 H GLN A 16 0.756 -6.315 0.731 1.00 41.11 H new ATOM 0 HA GLN A 16 3.094 -7.190 2.017 1.00 3.12 H new ATOM 0 HB2 GLN A 16 0.636 -8.080 2.010 1.00 42.24 H new ATOM 0 HB3 GLN A 16 1.100 -8.939 0.555 1.00 42.24 H new ATOM 0 HG2 GLN A 16 2.462 -10.401 1.672 1.00 51.41 H new ATOM 0 HG3 GLN A 16 3.045 -9.178 2.784 1.00 51.41 H new ATOM 0 HE21 GLN A 16 2.846 -10.132 4.700 1.00 23.51 H new ATOM 0 HE22 GLN A 16 1.347 -10.798 5.356 1.00 23.51 H new ATOM 245 N GLY A 17 4.537 -8.506 0.393 1.00 32.33 N ATOM 246 CA GLY A 17 5.453 -9.125 -0.568 1.00 1.03 C ATOM 247 C GLY A 17 5.115 -10.582 -0.871 1.00 50.12 C ATOM 248 O GLY A 17 5.805 -11.218 -1.664 1.00 75.34 O ATOM 0 H GLY A 17 4.803 -8.653 1.367 1.00 32.33 H new ATOM 0 HA2 GLY A 17 5.435 -8.554 -1.496 1.00 1.03 H new ATOM 0 HA3 GLY A 17 6.470 -9.068 -0.179 1.00 1.03 H new ATOM 252 N LEU A 18 4.104 -11.145 -0.214 1.00 24.55 N ATOM 253 CA LEU A 18 3.410 -12.337 -0.647 1.00 42.23 C ATOM 254 C LEU A 18 2.275 -11.974 -1.607 1.00 22.32 C ATOM 255 O LEU A 18 1.774 -10.845 -1.628 1.00 62.42 O ATOM 256 CB LEU A 18 2.780 -13.061 0.538 1.00 64.14 C ATOM 257 CG LEU A 18 3.766 -13.472 1.624 1.00 4.03 C ATOM 258 CD1 LEU A 18 3.071 -13.217 2.967 1.00 13.11 C ATOM 259 CD2 LEU A 18 4.385 -14.810 1.612 1.00 14.13 C ATOM 0 H LEU A 18 3.740 -10.766 0.660 1.00 24.55 H new ATOM 0 HA LEU A 18 4.145 -12.976 -1.136 1.00 42.23 H new ATOM 0 HB2 LEU A 18 2.021 -12.416 0.980 1.00 64.14 H new ATOM 0 HB3 LEU A 18 2.269 -13.952 0.173 1.00 64.14 H new ATOM 0 HG LEU A 18 4.647 -12.862 1.424 1.00 4.03 H new ATOM 0 HD11 LEU A 18 3.739 -13.497 3.781 1.00 13.11 H new ATOM 0 HD12 LEU A 18 2.819 -12.160 3.051 1.00 13.11 H new ATOM 0 HD13 LEU A 18 2.160 -13.813 3.024 1.00 13.11 H new ATOM 0 HD21 LEU A 18 5.055 -14.909 2.466 1.00 14.13 H new ATOM 0 HD22 LEU A 18 3.607 -15.571 1.671 1.00 14.13 H new ATOM 0 HD23 LEU A 18 4.951 -14.941 0.690 1.00 14.13 H new ATOM 271 N THR A 19 1.817 -13.010 -2.294 1.00 61.11 N ATOM 272 CA THR A 19 0.695 -13.008 -3.220 1.00 1.40 C ATOM 273 C THR A 19 -0.640 -13.114 -2.468 1.00 20.31 C ATOM 274 O THR A 19 -0.663 -13.344 -1.259 1.00 42.43 O ATOM 275 CB THR A 19 0.861 -14.177 -4.206 1.00 12.51 C ATOM 276 OG1 THR A 19 0.913 -15.403 -3.499 1.00 54.41 O ATOM 277 CG2 THR A 19 2.121 -14.087 -5.072 1.00 73.44 C ATOM 0 H THR A 19 2.246 -13.932 -2.214 1.00 61.11 H new ATOM 0 HA THR A 19 0.684 -12.067 -3.770 1.00 1.40 H new ATOM 0 HB THR A 19 -0.004 -14.123 -4.867 1.00 12.51 H new ATOM 0 HG1 THR A 19 1.175 -16.122 -4.111 1.00 54.41 H new ATOM 0 HG21 THR A 19 2.166 -14.947 -5.740 1.00 73.44 H new ATOM 0 HG22 THR A 19 2.093 -13.171 -5.662 1.00 73.44 H new ATOM 0 HG23 THR A 19 3.003 -14.079 -4.431 1.00 73.44 H new ATOM 285 N ARG A 20 -1.761 -13.079 -3.200 1.00 43.10 N ATOM 286 CA ARG A 20 -3.103 -13.478 -2.753 1.00 52.31 C ATOM 287 C ARG A 20 -3.199 -14.936 -2.299 1.00 20.03 C ATOM 288 O ARG A 20 -4.163 -15.335 -1.652 1.00 1.35 O ATOM 289 CB ARG A 20 -4.105 -13.271 -3.886 1.00 12.30 C ATOM 290 CG ARG A 20 -3.818 -14.122 -5.131 1.00 31.24 C ATOM 291 CD ARG A 20 -4.795 -13.688 -6.212 1.00 22.52 C ATOM 292 NE ARG A 20 -4.524 -14.385 -7.482 1.00 65.50 N ATOM 293 CZ ARG A 20 -4.965 -14.014 -8.690 1.00 10.52 C ATOM 294 NH1 ARG A 20 -5.703 -12.922 -8.838 1.00 25.32 N ATOM 295 NH2 ARG A 20 -4.672 -14.749 -9.753 1.00 23.34 N ATOM 0 H ARG A 20 -1.757 -12.756 -4.167 1.00 43.10 H new ATOM 0 HA ARG A 20 -3.326 -12.850 -1.891 1.00 52.31 H new ATOM 0 HB2 ARG A 20 -5.105 -13.504 -3.521 1.00 12.30 H new ATOM 0 HB3 ARG A 20 -4.106 -12.218 -4.169 1.00 12.30 H new ATOM 0 HG2 ARG A 20 -2.790 -13.981 -5.464 1.00 31.24 H new ATOM 0 HG3 ARG A 20 -3.938 -15.182 -4.908 1.00 31.24 H new ATOM 0 HD2 ARG A 20 -5.815 -13.896 -5.890 1.00 22.52 H new ATOM 0 HD3 ARG A 20 -4.722 -12.611 -6.362 1.00 22.52 H new ATOM 0 HE ARG A 20 -3.949 -15.226 -7.436 1.00 65.50 H new ATOM 0 HH11 ARG A 20 -5.941 -12.353 -8.025 1.00 25.32 H new ATOM 0 HH12 ARG A 20 -6.032 -12.651 -9.764 1.00 25.32 H new ATOM 0 HH21 ARG A 20 -4.112 -15.595 -9.649 1.00 23.34 H new ATOM 0 HH22 ARG A 20 -5.007 -14.469 -10.675 1.00 23.34 H new ATOM 309 N ALA A 21 -2.236 -15.770 -2.695 1.00 51.31 N ATOM 310 CA ALA A 21 -2.076 -17.125 -2.170 1.00 12.13 C ATOM 311 C ALA A 21 -1.275 -17.153 -0.868 1.00 22.22 C ATOM 312 O ALA A 21 -1.195 -18.201 -0.222 1.00 21.31 O ATOM 313 CB ALA A 21 -1.375 -17.992 -3.208 1.00 24.53 C ATOM 0 H ALA A 21 -1.539 -15.520 -3.396 1.00 51.31 H new ATOM 0 HA ALA A 21 -3.072 -17.512 -1.955 1.00 12.13 H new ATOM 0 HB1 ALA A 21 -1.255 -19.002 -2.817 1.00 24.53 H new ATOM 0 HB2 ALA A 21 -1.973 -18.024 -4.119 1.00 24.53 H new ATOM 0 HB3 ALA A 21 -0.395 -17.571 -3.432 1.00 24.53 H new ATOM 319 N GLY A 22 -0.664 -16.034 -0.491 1.00 12.32 N ATOM 320 CA GLY A 22 0.206 -15.886 0.657 1.00 15.44 C ATOM 321 C GLY A 22 1.573 -16.525 0.410 1.00 53.33 C ATOM 322 O GLY A 22 2.052 -17.244 1.295 1.00 42.03 O ATOM 0 H GLY A 22 -0.772 -15.163 -1.010 1.00 12.32 H new ATOM 0 HA2 GLY A 22 0.334 -14.828 0.884 1.00 15.44 H new ATOM 0 HA3 GLY A 22 -0.259 -16.345 1.529 1.00 15.44 H new ATOM 326 N LYS A 23 2.219 -16.290 -0.757 1.00 72.24 N ATOM 327 CA LYS A 23 3.627 -16.647 -0.945 1.00 4.32 C ATOM 328 C LYS A 23 4.555 -15.660 -1.642 1.00 63.23 C ATOM 329 O LYS A 23 4.075 -14.821 -2.412 1.00 22.12 O ATOM 330 CB LYS A 23 3.699 -17.951 -1.763 1.00 71.22 C ATOM 331 CG LYS A 23 3.362 -19.240 -1.021 1.00 50.52 C ATOM 332 CD LYS A 23 1.872 -19.622 -1.078 1.00 4.41 C ATOM 333 CE LYS A 23 1.630 -21.127 -1.009 1.00 70.22 C ATOM 334 NZ LYS A 23 1.966 -21.733 0.293 1.00 54.04 N ATOM 0 H LYS A 23 1.783 -15.857 -1.571 1.00 72.24 H new ATOM 0 HA LYS A 23 3.991 -16.701 0.081 1.00 4.32 H new ATOM 0 HB2 LYS A 23 3.021 -17.859 -2.612 1.00 71.22 H new ATOM 0 HB3 LYS A 23 4.707 -18.044 -2.168 1.00 71.22 H new ATOM 0 HG2 LYS A 23 3.952 -20.054 -1.441 1.00 50.52 H new ATOM 0 HG3 LYS A 23 3.660 -19.136 0.022 1.00 50.52 H new ATOM 0 HD2 LYS A 23 1.349 -19.139 -0.253 1.00 4.41 H new ATOM 0 HD3 LYS A 23 1.440 -19.234 -2.000 1.00 4.41 H new ATOM 0 HE2 LYS A 23 0.581 -21.326 -1.230 1.00 70.22 H new ATOM 0 HE3 LYS A 23 2.218 -21.614 -1.787 1.00 70.22 H new ATOM 0 HZ1 LYS A 23 1.775 -22.755 0.260 1.00 54.04 H new ATOM 0 HZ2 LYS A 23 2.973 -21.576 0.499 1.00 54.04 H new ATOM 0 HZ3 LYS A 23 1.388 -21.296 1.039 1.00 54.04 H new ATOM 348 N PRO A 24 5.870 -15.735 -1.358 1.00 63.03 N ATOM 349 CA PRO A 24 6.772 -14.627 -1.601 1.00 61.11 C ATOM 350 C PRO A 24 7.033 -14.500 -3.085 1.00 40.20 C ATOM 351 O PRO A 24 7.426 -15.447 -3.769 1.00 73.22 O ATOM 352 CB PRO A 24 8.038 -14.889 -0.801 1.00 24.34 C ATOM 353 CG PRO A 24 8.058 -16.406 -0.705 1.00 12.12 C ATOM 354 CD PRO A 24 6.582 -16.756 -0.579 1.00 12.31 C ATOM 0 HA PRO A 24 6.345 -13.677 -1.281 1.00 61.11 H new ATOM 0 HB2 PRO A 24 8.924 -14.503 -1.305 1.00 24.34 H new ATOM 0 HB3 PRO A 24 8.001 -14.421 0.182 1.00 24.34 H new ATOM 0 HG2 PRO A 24 8.508 -16.861 -1.588 1.00 12.12 H new ATOM 0 HG3 PRO A 24 8.630 -16.749 0.157 1.00 12.12 H new ATOM 0 HD2 PRO A 24 6.381 -17.755 -0.965 1.00 12.31 H new ATOM 0 HD3 PRO A 24 6.264 -16.747 0.464 1.00 12.31 H new ATOM 362 N PHE A 25 6.819 -13.295 -3.568 1.00 62.12 N ATOM 363 CA PHE A 25 6.802 -12.957 -4.971 1.00 52.42 C ATOM 364 C PHE A 25 8.195 -12.462 -5.378 1.00 43.40 C ATOM 365 O PHE A 25 8.761 -11.581 -4.729 1.00 33.44 O ATOM 366 CB PHE A 25 5.659 -11.947 -5.119 1.00 21.42 C ATOM 367 CG PHE A 25 5.729 -11.041 -6.330 1.00 72.23 C ATOM 368 CD1 PHE A 25 6.457 -9.836 -6.273 1.00 63.24 C ATOM 369 CD2 PHE A 25 5.052 -11.394 -7.513 1.00 32.44 C ATOM 370 CE1 PHE A 25 6.526 -8.993 -7.394 1.00 74.21 C ATOM 371 CE2 PHE A 25 5.127 -10.553 -8.635 1.00 74.22 C ATOM 372 CZ PHE A 25 5.866 -9.358 -8.580 1.00 4.50 C ATOM 0 H PHE A 25 6.645 -12.491 -2.965 1.00 62.12 H new ATOM 0 HA PHE A 25 6.608 -13.788 -5.649 1.00 52.42 H new ATOM 0 HB2 PHE A 25 4.718 -12.496 -5.154 1.00 21.42 H new ATOM 0 HB3 PHE A 25 5.632 -11.324 -4.225 1.00 21.42 H new ATOM 0 HD1 PHE A 25 6.965 -9.559 -5.361 1.00 63.24 H new ATOM 0 HD2 PHE A 25 4.478 -12.308 -7.557 1.00 32.44 H new ATOM 0 HE1 PHE A 25 7.083 -8.069 -7.345 1.00 74.21 H new ATOM 0 HE2 PHE A 25 4.614 -10.826 -9.546 1.00 74.22 H new ATOM 0 HZ PHE A 25 5.926 -8.720 -9.450 1.00 4.50 H new ATOM 382 N ARG A 26 8.777 -13.069 -6.420 1.00 43.43 N ATOM 383 CA ARG A 26 9.898 -12.486 -7.155 1.00 64.04 C ATOM 384 C ARG A 26 9.319 -11.466 -8.149 1.00 44.21 C ATOM 385 O ARG A 26 8.232 -11.703 -8.676 1.00 24.11 O ATOM 386 CB ARG A 26 10.692 -13.513 -7.994 1.00 3.41 C ATOM 387 CG ARG A 26 11.731 -14.383 -7.274 1.00 54.31 C ATOM 388 CD ARG A 26 13.014 -13.599 -6.977 1.00 44.20 C ATOM 389 NE ARG A 26 14.089 -14.473 -6.480 1.00 61.53 N ATOM 390 CZ ARG A 26 15.173 -14.068 -5.810 1.00 54.34 C ATOM 391 NH1 ARG A 26 15.408 -12.773 -5.624 1.00 25.34 N ATOM 392 NH2 ARG A 26 16.038 -14.948 -5.325 1.00 44.02 N ATOM 0 H ARG A 26 8.481 -13.978 -6.775 1.00 43.43 H new ATOM 0 HA ARG A 26 10.575 -12.056 -6.417 1.00 64.04 H new ATOM 0 HB2 ARG A 26 9.974 -14.178 -8.474 1.00 3.41 H new ATOM 0 HB3 ARG A 26 11.204 -12.970 -8.789 1.00 3.41 H new ATOM 0 HG2 ARG A 26 11.309 -14.758 -6.342 1.00 54.31 H new ATOM 0 HG3 ARG A 26 11.968 -15.251 -7.889 1.00 54.31 H new ATOM 0 HD2 ARG A 26 13.348 -13.092 -7.883 1.00 44.20 H new ATOM 0 HD3 ARG A 26 12.804 -12.826 -6.238 1.00 44.20 H new ATOM 0 HE ARG A 26 13.999 -15.473 -6.662 1.00 61.53 H new ATOM 0 HH11 ARG A 26 14.759 -12.079 -5.994 1.00 25.34 H new ATOM 0 HH12 ARG A 26 16.238 -12.474 -5.112 1.00 25.34 H new ATOM 0 HH21 ARG A 26 15.880 -15.946 -5.461 1.00 44.02 H new ATOM 0 HH22 ARG A 26 16.861 -14.627 -4.816 1.00 44.02 H new ATOM 406 N PRO A 27 10.098 -10.442 -8.532 1.00 34.43 N ATOM 407 CA PRO A 27 11.395 -10.171 -7.950 1.00 70.24 C ATOM 408 C PRO A 27 11.202 -9.625 -6.545 1.00 2.32 C ATOM 409 O PRO A 27 10.341 -8.781 -6.327 1.00 3.15 O ATOM 410 CB PRO A 27 12.033 -9.095 -8.813 1.00 13.45 C ATOM 411 CG PRO A 27 10.829 -8.360 -9.412 1.00 21.21 C ATOM 412 CD PRO A 27 9.767 -9.455 -9.543 1.00 4.42 C ATOM 0 HA PRO A 27 12.011 -11.069 -7.904 1.00 70.24 H new ATOM 0 HB2 PRO A 27 12.659 -8.426 -8.223 1.00 13.45 H new ATOM 0 HB3 PRO A 27 12.667 -9.525 -9.588 1.00 13.45 H new ATOM 0 HG2 PRO A 27 10.492 -7.550 -8.766 1.00 21.21 H new ATOM 0 HG3 PRO A 27 11.070 -7.917 -10.379 1.00 21.21 H new ATOM 0 HD2 PRO A 27 8.767 -9.052 -9.385 1.00 4.42 H new ATOM 0 HD3 PRO A 27 9.779 -9.896 -10.540 1.00 4.42 H new ATOM 420 N SER A 28 12.034 -10.046 -5.600 1.00 4.24 N ATOM 421 CA SER A 28 12.000 -9.439 -4.279 1.00 30.44 C ATOM 422 C SER A 28 12.619 -8.032 -4.292 1.00 73.11 C ATOM 423 O SER A 28 12.402 -7.252 -3.365 1.00 62.33 O ATOM 424 CB SER A 28 12.698 -10.346 -3.284 1.00 51.43 C ATOM 425 OG SER A 28 11.831 -11.365 -2.812 1.00 74.23 O ATOM 0 H SER A 28 12.724 -10.787 -5.720 1.00 4.24 H new ATOM 0 HA SER A 28 10.960 -9.321 -3.973 1.00 30.44 H new ATOM 0 HB2 SER A 28 13.572 -10.799 -3.753 1.00 51.43 H new ATOM 0 HB3 SER A 28 13.059 -9.755 -2.442 1.00 51.43 H new ATOM 0 HG SER A 28 12.347 -12.024 -2.302 1.00 74.23 H new ATOM 431 N ASP A 29 13.313 -7.664 -5.373 1.00 31.14 N ATOM 432 CA ASP A 29 13.758 -6.300 -5.649 1.00 1.22 C ATOM 433 C ASP A 29 12.594 -5.315 -5.817 1.00 42.42 C ATOM 434 O ASP A 29 12.848 -4.111 -5.890 1.00 25.53 O ATOM 435 CB ASP A 29 14.628 -6.279 -6.917 1.00 53.34 C ATOM 436 CG ASP A 29 16.110 -6.245 -6.569 1.00 60.04 C ATOM 437 OD1 ASP A 29 16.650 -7.277 -6.112 1.00 33.05 O ATOM 438 OD2 ASP A 29 16.733 -5.171 -6.696 1.00 14.32 O ATOM 0 H ASP A 29 13.587 -8.327 -6.098 1.00 31.14 H new ATOM 0 HA ASP A 29 14.336 -5.977 -4.783 1.00 1.22 H new ATOM 0 HB2 ASP A 29 14.414 -7.160 -7.522 1.00 53.34 H new ATOM 0 HB3 ASP A 29 14.374 -5.408 -7.521 1.00 53.34 H new ATOM 443 N TRP A 30 11.338 -5.786 -5.896 1.00 42.32 N ATOM 444 CA TRP A 30 10.169 -4.949 -6.168 1.00 33.22 C ATOM 445 C TRP A 30 10.056 -3.771 -5.196 1.00 44.33 C ATOM 446 O TRP A 30 9.660 -2.679 -5.591 1.00 12.55 O ATOM 447 CB TRP A 30 8.883 -5.799 -6.167 1.00 53.42 C ATOM 448 CG TRP A 30 8.269 -6.189 -4.844 1.00 2.52 C ATOM 449 CD1 TRP A 30 8.344 -7.398 -4.243 1.00 74.12 C ATOM 450 CD2 TRP A 30 7.382 -5.396 -3.994 1.00 20.10 C ATOM 451 NE1 TRP A 30 7.566 -7.414 -3.104 1.00 32.35 N ATOM 452 CE2 TRP A 30 6.912 -6.214 -2.921 1.00 31.31 C ATOM 453 CE3 TRP A 30 6.902 -4.071 -4.050 1.00 71.13 C ATOM 454 CZ2 TRP A 30 5.978 -5.751 -1.978 1.00 11.11 C ATOM 455 CZ3 TRP A 30 5.961 -3.598 -3.119 1.00 25.01 C ATOM 456 CH2 TRP A 30 5.506 -4.438 -2.091 1.00 72.33 C ATOM 0 H TRP A 30 11.109 -6.772 -5.770 1.00 42.32 H new ATOM 0 HA TRP A 30 10.301 -4.521 -7.162 1.00 33.22 H new ATOM 0 HB2 TRP A 30 8.127 -5.255 -6.734 1.00 53.42 H new ATOM 0 HB3 TRP A 30 9.094 -6.717 -6.716 1.00 53.42 H new ATOM 0 HD1 TRP A 30 8.929 -8.231 -4.603 1.00 74.12 H new ATOM 0 HE1 TRP A 30 7.485 -8.213 -2.476 1.00 32.35 H new ATOM 0 HE3 TRP A 30 7.264 -3.408 -4.822 1.00 71.13 H new ATOM 0 HZ2 TRP A 30 5.632 -6.395 -1.183 1.00 11.11 H new ATOM 0 HZ3 TRP A 30 5.588 -2.587 -3.195 1.00 25.01 H new ATOM 0 HH2 TRP A 30 4.784 -4.067 -1.379 1.00 72.33 H new ATOM 467 N VAL A 31 10.419 -3.991 -3.935 1.00 34.13 N ATOM 468 CA VAL A 31 10.378 -3.017 -2.853 1.00 65.51 C ATOM 469 C VAL A 31 11.275 -1.828 -3.190 1.00 53.32 C ATOM 470 O VAL A 31 10.826 -0.679 -3.136 1.00 43.13 O ATOM 471 CB VAL A 31 10.765 -3.774 -1.563 1.00 61.50 C ATOM 472 CG1 VAL A 31 11.147 -2.925 -0.346 1.00 51.11 C ATOM 473 CG2 VAL A 31 9.591 -4.694 -1.188 1.00 22.12 C ATOM 0 H VAL A 31 10.767 -4.899 -3.627 1.00 34.13 H new ATOM 0 HA VAL A 31 9.389 -2.583 -2.706 1.00 65.51 H new ATOM 0 HB VAL A 31 11.683 -4.309 -1.807 1.00 61.50 H new ATOM 0 HG11 VAL A 31 11.396 -3.579 0.490 1.00 51.11 H new ATOM 0 HG12 VAL A 31 12.009 -2.305 -0.591 1.00 51.11 H new ATOM 0 HG13 VAL A 31 10.308 -2.287 -0.070 1.00 51.11 H new ATOM 0 HG21 VAL A 31 9.835 -5.243 -0.279 1.00 22.12 H new ATOM 0 HG22 VAL A 31 8.697 -4.093 -1.020 1.00 22.12 H new ATOM 0 HG23 VAL A 31 9.407 -5.399 -1.999 1.00 22.12 H new ATOM 483 N ASP A 32 12.524 -2.090 -3.576 1.00 22.43 N ATOM 484 CA ASP A 32 13.476 -1.018 -3.841 1.00 33.24 C ATOM 485 C ASP A 32 13.306 -0.441 -5.243 1.00 15.20 C ATOM 486 O ASP A 32 13.759 0.675 -5.506 1.00 43.33 O ATOM 487 CB ASP A 32 14.909 -1.499 -3.647 1.00 65.11 C ATOM 488 CG ASP A 32 15.389 -1.535 -2.192 1.00 51.34 C ATOM 489 OD1 ASP A 32 14.761 -0.915 -1.295 1.00 61.13 O ATOM 490 OD2 ASP A 32 16.455 -2.157 -1.972 1.00 51.44 O ATOM 0 H ASP A 32 12.896 -3.030 -3.711 1.00 22.43 H new ATOM 0 HA ASP A 32 13.269 -0.225 -3.122 1.00 33.24 H new ATOM 0 HB2 ASP A 32 15.001 -2.500 -4.069 1.00 65.11 H new ATOM 0 HB3 ASP A 32 15.574 -0.851 -4.217 1.00 65.11 H new ATOM 495 N ARG A 33 12.639 -1.168 -6.146 1.00 71.42 N ATOM 496 CA ARG A 33 12.202 -0.613 -7.421 1.00 24.24 C ATOM 497 C ARG A 33 11.080 0.390 -7.191 1.00 14.34 C ATOM 498 O ARG A 33 11.099 1.468 -7.781 1.00 3.15 O ATOM 499 CB ARG A 33 11.740 -1.714 -8.385 1.00 43.14 C ATOM 500 CG ARG A 33 12.909 -2.475 -9.031 1.00 21.02 C ATOM 501 CD ARG A 33 12.430 -3.258 -10.266 1.00 30.45 C ATOM 502 NE ARG A 33 13.411 -3.219 -11.367 1.00 22.31 N ATOM 503 CZ ARG A 33 13.174 -2.910 -12.651 1.00 63.20 C ATOM 504 NH1 ARG A 33 11.954 -2.652 -13.097 1.00 61.24 N ATOM 505 NH2 ARG A 33 14.172 -2.891 -13.518 1.00 22.24 N ATOM 0 H ARG A 33 12.391 -2.148 -6.011 1.00 71.42 H new ATOM 0 HA ARG A 33 13.052 -0.107 -7.879 1.00 24.24 H new ATOM 0 HB2 ARG A 33 11.108 -2.420 -7.846 1.00 43.14 H new ATOM 0 HB3 ARG A 33 11.126 -1.270 -9.168 1.00 43.14 H new ATOM 0 HG2 ARG A 33 13.691 -1.773 -9.320 1.00 21.02 H new ATOM 0 HG3 ARG A 33 13.348 -3.161 -8.307 1.00 21.02 H new ATOM 0 HD2 ARG A 33 12.242 -4.295 -9.986 1.00 30.45 H new ATOM 0 HD3 ARG A 33 11.483 -2.844 -10.611 1.00 30.45 H new ATOM 0 HE ARG A 33 14.374 -3.452 -11.126 1.00 22.31 H new ATOM 0 HH11 ARG A 33 11.160 -2.685 -12.458 1.00 61.24 H new ATOM 0 HH12 ARG A 33 11.809 -2.420 -14.080 1.00 61.24 H new ATOM 0 HH21 ARG A 33 15.119 -3.111 -13.210 1.00 22.24 H new ATOM 0 HH22 ARG A 33 13.995 -2.656 -14.495 1.00 22.24 H new ATOM 519 N MET A 34 10.098 0.054 -6.355 1.00 54.50 N ATOM 520 CA MET A 34 8.960 0.921 -6.089 1.00 52.11 C ATOM 521 C MET A 34 9.448 2.232 -5.489 1.00 50.43 C ATOM 522 O MET A 34 9.105 3.298 -5.996 1.00 25.51 O ATOM 523 CB MET A 34 7.955 0.204 -5.183 1.00 72.11 C ATOM 524 CG MET A 34 6.802 -0.391 -5.996 1.00 10.42 C ATOM 525 SD MET A 34 5.387 0.737 -6.059 1.00 12.23 S ATOM 526 CE MET A 34 4.754 0.417 -4.394 1.00 2.21 C ATOM 0 H MET A 34 10.073 -0.829 -5.845 1.00 54.50 H new ATOM 0 HA MET A 34 8.443 1.156 -7.019 1.00 52.11 H new ATOM 0 HB2 MET A 34 8.460 -0.588 -4.630 1.00 72.11 H new ATOM 0 HB3 MET A 34 7.561 0.905 -4.447 1.00 72.11 H new ATOM 0 HG2 MET A 34 7.142 -0.607 -7.009 1.00 10.42 H new ATOM 0 HG3 MET A 34 6.494 -1.339 -5.554 1.00 10.42 H new ATOM 0 HE1 MET A 34 3.724 0.065 -4.458 1.00 2.21 H new ATOM 0 HE2 MET A 34 5.368 -0.343 -3.911 1.00 2.21 H new ATOM 0 HE3 MET A 34 4.788 1.336 -3.809 1.00 2.21 H new ATOM 536 N CYS A 35 10.277 2.195 -4.441 1.00 21.42 N ATOM 537 CA CYS A 35 10.686 3.438 -3.797 1.00 11.34 C ATOM 538 C CYS A 35 11.518 4.353 -4.702 1.00 23.10 C ATOM 539 O CYS A 35 11.515 5.558 -4.480 1.00 13.40 O ATOM 540 CB CYS A 35 11.418 3.155 -2.488 1.00 74.33 C ATOM 541 SG CYS A 35 12.987 2.318 -2.782 1.00 24.15 S ATOM 0 H CYS A 35 10.666 1.344 -4.034 1.00 21.42 H new ATOM 0 HA CYS A 35 9.767 3.983 -3.581 1.00 11.34 H new ATOM 0 HB2 CYS A 35 11.596 4.091 -1.959 1.00 74.33 H new ATOM 0 HB3 CYS A 35 10.790 2.539 -1.844 1.00 74.33 H new ATOM 0 HG CYS A 35 13.951 3.191 -2.785 1.00 24.15 H new ATOM 547 N SER A 36 12.240 3.807 -5.684 1.00 73.14 N ATOM 548 CA SER A 36 13.032 4.577 -6.643 1.00 11.41 C ATOM 549 C SER A 36 12.156 5.186 -7.732 1.00 24.05 C ATOM 550 O SER A 36 12.316 6.338 -8.126 1.00 4.45 O ATOM 551 CB SER A 36 14.110 3.666 -7.226 1.00 22.15 C ATOM 552 OG SER A 36 13.672 2.736 -8.192 1.00 25.33 O ATOM 0 H SER A 36 12.291 2.800 -5.836 1.00 73.14 H new ATOM 0 HA SER A 36 13.507 5.415 -6.133 1.00 11.41 H new ATOM 0 HB2 SER A 36 14.883 4.290 -7.674 1.00 22.15 H new ATOM 0 HB3 SER A 36 14.578 3.118 -6.408 1.00 22.15 H new ATOM 0 HG SER A 36 12.810 2.360 -7.917 1.00 25.33 H new ATOM 558 N THR A 37 11.200 4.395 -8.189 1.00 4.00 N ATOM 559 CA THR A 37 10.157 4.815 -9.122 1.00 43.44 C ATOM 560 C THR A 37 9.312 5.951 -8.514 1.00 45.43 C ATOM 561 O THR A 37 8.772 6.788 -9.241 1.00 53.22 O ATOM 562 CB THR A 37 9.326 3.583 -9.512 1.00 73.03 C ATOM 563 OG1 THR A 37 10.191 2.572 -9.987 1.00 0.15 O ATOM 564 CG2 THR A 37 8.300 3.865 -10.605 1.00 32.21 C ATOM 0 H THR A 37 11.122 3.415 -7.916 1.00 4.00 H new ATOM 0 HA THR A 37 10.595 5.226 -10.032 1.00 43.44 H new ATOM 0 HB THR A 37 8.787 3.279 -8.615 1.00 73.03 H new ATOM 0 HG1 THR A 37 10.334 1.906 -9.282 1.00 0.15 H new ATOM 0 HG21 THR A 37 7.749 2.952 -10.831 1.00 32.21 H new ATOM 0 HG22 THR A 37 7.606 4.633 -10.263 1.00 32.21 H new ATOM 0 HG23 THR A 37 8.811 4.212 -11.503 1.00 32.21 H new ATOM 572 N TYR A 38 9.250 6.023 -7.182 1.00 44.42 N ATOM 573 CA TYR A 38 8.641 7.083 -6.392 1.00 64.14 C ATOM 574 C TYR A 38 9.757 7.874 -5.689 1.00 42.44 C ATOM 575 O TYR A 38 9.702 8.145 -4.484 1.00 2.35 O ATOM 576 CB TYR A 38 7.612 6.473 -5.434 1.00 64.32 C ATOM 577 CG TYR A 38 6.322 5.966 -6.071 1.00 61.14 C ATOM 578 CD1 TYR A 38 6.325 4.836 -6.913 1.00 10.32 C ATOM 579 CD2 TYR A 38 5.093 6.581 -5.761 1.00 32.33 C ATOM 580 CE1 TYR A 38 5.136 4.346 -7.476 1.00 5.24 C ATOM 581 CE2 TYR A 38 3.892 6.071 -6.287 1.00 72.25 C ATOM 582 CZ TYR A 38 3.908 4.971 -7.179 1.00 40.44 C ATOM 583 OH TYR A 38 2.739 4.494 -7.691 1.00 31.41 O ATOM 0 H TYR A 38 9.651 5.293 -6.594 1.00 44.42 H new ATOM 0 HA TYR A 38 8.095 7.791 -7.016 1.00 64.14 H new ATOM 0 HB2 TYR A 38 8.083 5.644 -4.906 1.00 64.32 H new ATOM 0 HB3 TYR A 38 7.354 7.222 -4.685 1.00 64.32 H new ATOM 0 HD1 TYR A 38 7.259 4.338 -7.129 1.00 10.32 H new ATOM 0 HD2 TYR A 38 5.073 7.448 -5.117 1.00 32.33 H new ATOM 0 HE1 TYR A 38 5.162 3.491 -8.136 1.00 5.24 H new ATOM 0 HE2 TYR A 38 2.951 6.522 -6.009 1.00 72.25 H new ATOM 0 HH TYR A 38 1.984 4.948 -7.261 1.00 31.41 H new ATOM 593 N ALA A 39 10.794 8.240 -6.445 1.00 12.15 N ATOM 594 CA ALA A 39 11.880 9.118 -6.040 1.00 24.14 C ATOM 595 C ALA A 39 12.235 10.032 -7.194 1.00 40.01 C ATOM 596 O ALA A 39 11.904 9.733 -8.345 1.00 4.11 O ATOM 597 CB ALA A 39 13.126 8.294 -5.717 1.00 3.33 C ATOM 0 H ALA A 39 10.899 7.912 -7.405 1.00 12.15 H new ATOM 0 HA ALA A 39 11.561 9.686 -5.166 1.00 24.14 H new ATOM 0 HB1 ALA A 39 13.934 8.960 -5.415 1.00 3.33 H new ATOM 0 HB2 ALA A 39 12.904 7.601 -4.905 1.00 3.33 H new ATOM 0 HB3 ALA A 39 13.430 7.732 -6.600 1.00 3.33 H new ATOM 603 N SER A 40 13.043 11.047 -6.899 1.00 21.40 N ATOM 604 CA SER A 40 13.744 11.813 -7.912 1.00 55.31 C ATOM 605 C SER A 40 15.117 12.197 -7.382 1.00 43.24 C ATOM 606 O SER A 40 15.385 12.146 -6.181 1.00 2.43 O ATOM 607 CB SER A 40 12.924 13.053 -8.303 1.00 40.04 C ATOM 608 OG SER A 40 11.613 12.691 -8.703 1.00 74.31 O ATOM 0 H SER A 40 13.227 11.358 -5.945 1.00 21.40 H new ATOM 0 HA SER A 40 13.873 11.210 -8.811 1.00 55.31 H new ATOM 0 HB2 SER A 40 12.873 13.741 -7.459 1.00 40.04 H new ATOM 0 HB3 SER A 40 13.423 13.582 -9.115 1.00 40.04 H new ATOM 0 HG SER A 40 11.111 13.497 -8.945 1.00 74.31 H new ATOM 728 N ARG A 48 16.549 10.217 -4.359 1.00 32.41 N ATOM 729 CA ARG A 48 16.178 10.251 -2.958 1.00 21.42 C ATOM 730 C ARG A 48 14.769 9.700 -2.800 1.00 23.11 C ATOM 731 O ARG A 48 13.826 10.334 -3.278 1.00 72.12 O ATOM 732 CB ARG A 48 16.324 11.697 -2.433 1.00 73.02 C ATOM 733 CG ARG A 48 17.161 11.754 -1.156 1.00 44.44 C ATOM 734 CD ARG A 48 16.507 10.967 -0.018 1.00 41.13 C ATOM 735 NE ARG A 48 17.402 10.914 1.139 1.00 41.21 N ATOM 736 CZ ARG A 48 17.341 11.663 2.238 1.00 1.20 C ATOM 737 NH1 ARG A 48 16.347 12.531 2.426 1.00 13.31 N ATOM 738 NH2 ARG A 48 18.318 11.543 3.127 1.00 24.44 N ATOM 0 HA ARG A 48 16.837 9.622 -2.360 1.00 21.42 H new ATOM 0 HB2 ARG A 48 16.788 12.317 -3.200 1.00 73.02 H new ATOM 0 HB3 ARG A 48 15.336 12.115 -2.239 1.00 73.02 H new ATOM 0 HG2 ARG A 48 18.155 11.352 -1.353 1.00 44.44 H new ATOM 0 HG3 ARG A 48 17.292 12.793 -0.852 1.00 44.44 H new ATOM 0 HD2 ARG A 48 15.564 11.436 0.263 1.00 41.13 H new ATOM 0 HD3 ARG A 48 16.273 9.956 -0.353 1.00 41.13 H new ATOM 0 HE ARG A 48 18.155 10.228 1.099 1.00 41.21 H new ATOM 0 HH11 ARG A 48 15.616 12.630 1.721 1.00 13.31 H new ATOM 0 HH12 ARG A 48 16.317 13.096 3.275 1.00 13.31 H new ATOM 0 HH21 ARG A 48 19.085 10.892 2.957 1.00 24.44 H new ATOM 0 HH22 ARG A 48 18.303 12.102 3.980 1.00 24.44 H new ATOM 752 N TYR A 49 14.615 8.529 -2.180 1.00 24.02 N ATOM 753 CA TYR A 49 13.312 7.892 -1.980 1.00 25.41 C ATOM 754 C TYR A 49 12.360 8.826 -1.224 1.00 70.30 C ATOM 755 O TYR A 49 12.790 9.556 -0.325 1.00 61.43 O ATOM 756 CB TYR A 49 13.494 6.554 -1.238 1.00 43.11 C ATOM 757 CG TYR A 49 14.406 5.520 -1.898 1.00 71.10 C ATOM 758 CD1 TYR A 49 14.551 5.445 -3.298 1.00 51.40 C ATOM 759 CD2 TYR A 49 15.131 4.620 -1.096 1.00 63.14 C ATOM 760 CE1 TYR A 49 15.419 4.516 -3.895 1.00 64.13 C ATOM 761 CE2 TYR A 49 16.003 3.681 -1.678 1.00 61.12 C ATOM 762 CZ TYR A 49 16.154 3.625 -3.080 1.00 43.10 C ATOM 763 OH TYR A 49 17.034 2.740 -3.623 1.00 10.11 O ATOM 0 H TYR A 49 15.395 7.993 -1.800 1.00 24.02 H new ATOM 0 HA TYR A 49 12.863 7.688 -2.952 1.00 25.41 H new ATOM 0 HB2 TYR A 49 13.886 6.767 -0.243 1.00 43.11 H new ATOM 0 HB3 TYR A 49 12.511 6.103 -1.103 1.00 43.11 H new ATOM 0 HD1 TYR A 49 13.983 6.116 -3.925 1.00 51.40 H new ATOM 0 HD2 TYR A 49 15.017 4.650 -0.022 1.00 63.14 H new ATOM 0 HE1 TYR A 49 15.524 4.483 -4.969 1.00 64.13 H new ATOM 0 HE2 TYR A 49 16.559 3.001 -1.049 1.00 61.12 H new ATOM 0 HH TYR A 49 17.447 2.210 -2.910 1.00 10.11 H new ATOM 773 N SER A 50 11.071 8.814 -1.583 1.00 62.05 N ATOM 774 CA SER A 50 10.032 9.529 -0.837 1.00 23.13 C ATOM 775 C SER A 50 10.002 9.062 0.629 1.00 50.30 C ATOM 776 O SER A 50 10.347 7.910 0.903 1.00 2.02 O ATOM 777 CB SER A 50 8.663 9.274 -1.482 1.00 11.44 C ATOM 778 OG SER A 50 8.597 9.782 -2.798 1.00 52.31 O ATOM 0 H SER A 50 10.721 8.309 -2.397 1.00 62.05 H new ATOM 0 HA SER A 50 10.257 10.595 -0.863 1.00 23.13 H new ATOM 0 HB2 SER A 50 8.462 8.203 -1.496 1.00 11.44 H new ATOM 0 HB3 SER A 50 7.884 9.736 -0.875 1.00 11.44 H new ATOM 0 HG SER A 50 8.889 9.092 -3.430 1.00 52.31 H new ATOM 784 N PRO A 51 9.532 9.897 1.574 1.00 20.10 N ATOM 785 CA PRO A 51 9.347 9.484 2.959 1.00 21.42 C ATOM 786 C PRO A 51 8.180 8.503 3.084 1.00 30.21 C ATOM 787 O PRO A 51 8.197 7.637 3.954 1.00 72.42 O ATOM 788 CB PRO A 51 9.082 10.776 3.739 1.00 34.31 C ATOM 789 CG PRO A 51 8.461 11.709 2.699 1.00 34.24 C ATOM 790 CD PRO A 51 9.128 11.284 1.395 1.00 73.45 C ATOM 0 HA PRO A 51 10.220 8.960 3.347 1.00 21.42 H new ATOM 0 HB2 PRO A 51 8.407 10.606 4.578 1.00 34.31 H new ATOM 0 HB3 PRO A 51 10.002 11.191 4.150 1.00 34.31 H new ATOM 0 HG2 PRO A 51 7.378 11.593 2.652 1.00 34.24 H new ATOM 0 HG3 PRO A 51 8.660 12.756 2.929 1.00 34.24 H new ATOM 0 HD2 PRO A 51 8.439 11.383 0.556 1.00 73.45 H new ATOM 0 HD3 PRO A 51 9.990 11.914 1.176 1.00 73.45 H new ATOM 798 N TYR A 52 7.177 8.606 2.209 1.00 31.42 N ATOM 799 CA TYR A 52 5.913 7.886 2.312 1.00 3.25 C ATOM 800 C TYR A 52 6.019 6.398 1.971 1.00 63.14 C ATOM 801 O TYR A 52 4.986 5.747 1.850 1.00 3.11 O ATOM 802 CB TYR A 52 4.869 8.602 1.430 1.00 31.33 C ATOM 803 CG TYR A 52 4.685 10.077 1.748 1.00 5.51 C ATOM 804 CD1 TYR A 52 4.407 10.486 3.064 1.00 3.14 C ATOM 805 CD2 TYR A 52 4.799 11.051 0.737 1.00 73.12 C ATOM 806 CE1 TYR A 52 4.278 11.844 3.377 1.00 43.02 C ATOM 807 CE2 TYR A 52 4.696 12.420 1.051 1.00 61.33 C ATOM 808 CZ TYR A 52 4.464 12.827 2.383 1.00 3.43 C ATOM 809 OH TYR A 52 4.430 14.150 2.707 1.00 51.13 O ATOM 0 H TYR A 52 7.227 9.210 1.388 1.00 31.42 H new ATOM 0 HA TYR A 52 5.600 7.904 3.356 1.00 3.25 H new ATOM 0 HB2 TYR A 52 5.164 8.502 0.385 1.00 31.33 H new ATOM 0 HB3 TYR A 52 3.910 8.096 1.540 1.00 31.33 H new ATOM 0 HD1 TYR A 52 4.292 9.745 3.841 1.00 3.14 H new ATOM 0 HD2 TYR A 52 4.966 10.746 -0.285 1.00 73.12 H new ATOM 0 HE1 TYR A 52 4.034 12.141 4.386 1.00 43.02 H new ATOM 0 HE2 TYR A 52 4.795 13.160 0.271 1.00 61.33 H new ATOM 0 HH TYR A 52 4.578 14.688 1.901 1.00 51.13 H new ATOM 819 N LEU A 53 7.225 5.859 1.763 1.00 72.01 N ATOM 820 CA LEU A 53 7.442 4.593 1.078 1.00 41.44 C ATOM 821 C LEU A 53 8.647 3.880 1.691 1.00 11.45 C ATOM 822 O LEU A 53 9.786 4.132 1.291 1.00 5.22 O ATOM 823 CB LEU A 53 7.631 4.888 -0.423 1.00 62.35 C ATOM 824 CG LEU A 53 6.476 4.370 -1.298 1.00 25.21 C ATOM 825 CD1 LEU A 53 6.723 4.830 -2.730 1.00 23.12 C ATOM 826 CD2 LEU A 53 6.394 2.845 -1.324 1.00 63.11 C ATOM 0 H LEU A 53 8.089 6.303 2.074 1.00 72.01 H new ATOM 0 HA LEU A 53 6.587 3.926 1.193 1.00 41.44 H new ATOM 0 HB2 LEU A 53 7.730 5.964 -0.565 1.00 62.35 H new ATOM 0 HB3 LEU A 53 8.564 4.435 -0.760 1.00 62.35 H new ATOM 0 HG LEU A 53 5.548 4.759 -0.879 1.00 25.21 H new ATOM 0 HD11 LEU A 53 5.916 4.474 -3.371 1.00 23.12 H new ATOM 0 HD12 LEU A 53 6.758 5.919 -2.761 1.00 23.12 H new ATOM 0 HD13 LEU A 53 7.672 4.426 -3.083 1.00 23.12 H new ATOM 0 HD21 LEU A 53 5.562 2.536 -1.956 1.00 63.11 H new ATOM 0 HD22 LEU A 53 7.323 2.437 -1.723 1.00 63.11 H new ATOM 0 HD23 LEU A 53 6.239 2.472 -0.312 1.00 63.11 H new ATOM 838 N LYS A 54 8.427 3.021 2.692 1.00 70.41 N ATOM 839 CA LYS A 54 9.520 2.393 3.445 1.00 0.13 C ATOM 840 C LYS A 54 9.310 0.883 3.551 1.00 62.03 C ATOM 841 O LYS A 54 8.165 0.439 3.637 1.00 4.53 O ATOM 842 CB LYS A 54 9.648 3.033 4.845 1.00 34.02 C ATOM 843 CG LYS A 54 9.939 4.551 4.878 1.00 51.41 C ATOM 844 CD LYS A 54 11.404 4.989 4.710 1.00 25.02 C ATOM 845 CE LYS A 54 12.085 4.313 3.523 1.00 21.50 C ATOM 846 NZ LYS A 54 13.449 4.793 3.262 1.00 41.14 N ATOM 0 H LYS A 54 7.496 2.743 3.002 1.00 70.41 H new ATOM 0 HA LYS A 54 10.452 2.563 2.905 1.00 0.13 H new ATOM 0 HB2 LYS A 54 8.723 2.850 5.391 1.00 34.02 H new ATOM 0 HB3 LYS A 54 10.444 2.520 5.385 1.00 34.02 H new ATOM 0 HG2 LYS A 54 9.352 5.025 4.091 1.00 51.41 H new ATOM 0 HG3 LYS A 54 9.575 4.944 5.827 1.00 51.41 H new ATOM 0 HD2 LYS A 54 11.444 6.070 4.580 1.00 25.02 H new ATOM 0 HD3 LYS A 54 11.956 4.757 5.621 1.00 25.02 H new ATOM 0 HE2 LYS A 54 12.117 3.238 3.700 1.00 21.50 H new ATOM 0 HE3 LYS A 54 11.479 4.471 2.631 1.00 21.50 H new ATOM 0 HZ1 LYS A 54 13.844 4.288 2.443 1.00 41.14 H new ATOM 0 HZ2 LYS A 54 13.426 5.813 3.061 1.00 41.14 H new ATOM 0 HZ3 LYS A 54 14.044 4.618 4.097 1.00 41.14 H new ATOM 860 N PRO A 55 10.382 0.074 3.523 1.00 64.42 N ATOM 861 CA PRO A 55 10.282 -1.381 3.593 1.00 51.42 C ATOM 862 C PRO A 55 9.818 -1.821 4.983 1.00 12.45 C ATOM 863 O PRO A 55 9.813 -1.028 5.931 1.00 41.42 O ATOM 864 CB PRO A 55 11.693 -1.889 3.279 1.00 71.30 C ATOM 865 CG PRO A 55 12.582 -0.766 3.807 1.00 52.24 C ATOM 866 CD PRO A 55 11.778 0.478 3.438 1.00 15.03 C ATOM 0 HA PRO A 55 9.550 -1.784 2.893 1.00 51.42 H new ATOM 0 HB2 PRO A 55 11.901 -2.837 3.775 1.00 71.30 H new ATOM 0 HB3 PRO A 55 11.836 -2.050 2.211 1.00 71.30 H new ATOM 0 HG2 PRO A 55 12.742 -0.844 4.882 1.00 52.24 H new ATOM 0 HG3 PRO A 55 13.566 -0.770 3.337 1.00 52.24 H new ATOM 0 HD2 PRO A 55 11.991 1.301 4.120 1.00 15.03 H new ATOM 0 HD3 PRO A 55 12.027 0.824 2.435 1.00 15.03 H new ATOM 874 N ARG A 56 9.450 -3.096 5.129 1.00 12.10 N ATOM 875 CA ARG A 56 9.168 -3.705 6.426 1.00 22.41 C ATOM 876 C ARG A 56 9.764 -5.106 6.514 1.00 63.11 C ATOM 877 O ARG A 56 10.520 -5.502 5.627 1.00 61.30 O ATOM 878 CB ARG A 56 7.658 -3.628 6.722 1.00 33.10 C ATOM 879 CG ARG A 56 7.462 -2.505 7.743 1.00 63.32 C ATOM 880 CD ARG A 56 6.036 -2.418 8.252 1.00 72.45 C ATOM 881 NE ARG A 56 5.981 -1.445 9.342 1.00 1.32 N ATOM 882 CZ ARG A 56 5.086 -1.382 10.327 1.00 52.35 C ATOM 883 NH1 ARG A 56 4.112 -2.281 10.410 1.00 25.32 N ATOM 884 NH2 ARG A 56 5.205 -0.399 11.204 1.00 65.55 N ATOM 0 H ARG A 56 9.339 -3.737 4.344 1.00 12.10 H new ATOM 0 HA ARG A 56 9.661 -3.143 7.220 1.00 22.41 H new ATOM 0 HB2 ARG A 56 7.096 -3.424 5.811 1.00 33.10 H new ATOM 0 HB3 ARG A 56 7.293 -4.576 7.116 1.00 33.10 H new ATOM 0 HG2 ARG A 56 8.135 -2.664 8.586 1.00 63.32 H new ATOM 0 HG3 ARG A 56 7.740 -1.554 7.289 1.00 63.32 H new ATOM 0 HD2 ARG A 56 5.366 -2.120 7.446 1.00 72.45 H new ATOM 0 HD3 ARG A 56 5.700 -3.394 8.601 1.00 72.45 H new ATOM 0 HE ARG A 56 6.711 -0.733 9.349 1.00 1.32 H new ATOM 0 HH11 ARG A 56 4.045 -3.026 9.717 1.00 25.32 H new ATOM 0 HH12 ARG A 56 3.431 -2.226 11.167 1.00 25.32 H new ATOM 0 HH21 ARG A 56 5.963 0.278 11.112 1.00 65.55 H new ATOM 0 HH22 ARG A 56 4.539 -0.317 11.972 1.00 65.55 H new ATOM 898 N VAL A 57 9.508 -5.814 7.621 1.00 1.04 N ATOM 899 CA VAL A 57 9.759 -7.243 7.787 1.00 52.10 C ATOM 900 C VAL A 57 8.654 -7.797 8.696 1.00 21.11 C ATOM 901 O VAL A 57 8.733 -7.695 9.921 1.00 62.31 O ATOM 902 CB VAL A 57 11.178 -7.551 8.329 1.00 73.14 C ATOM 903 CG1 VAL A 57 11.401 -9.071 8.381 1.00 42.24 C ATOM 904 CG2 VAL A 57 12.303 -6.958 7.472 1.00 13.24 C ATOM 0 H VAL A 57 9.105 -5.387 8.455 1.00 1.04 H new ATOM 0 HA VAL A 57 9.731 -7.735 6.815 1.00 52.10 H new ATOM 0 HB VAL A 57 11.220 -7.095 9.318 1.00 73.14 H new ATOM 0 HG11 VAL A 57 12.400 -9.279 8.763 1.00 42.24 H new ATOM 0 HG12 VAL A 57 10.659 -9.525 9.038 1.00 42.24 H new ATOM 0 HG13 VAL A 57 11.301 -9.488 7.379 1.00 42.24 H new ATOM 0 HG21 VAL A 57 13.268 -7.213 7.911 1.00 13.24 H new ATOM 0 HG22 VAL A 57 12.244 -7.365 6.463 1.00 13.24 H new ATOM 0 HG23 VAL A 57 12.198 -5.874 7.433 1.00 13.24 H new ATOM 914 N ILE A 58 7.608 -8.336 8.084 1.00 21.23 N ATOM 915 CA ILE A 58 6.467 -9.038 8.663 1.00 21.43 C ATOM 916 C ILE A 58 6.589 -10.473 8.167 1.00 22.12 C ATOM 917 O ILE A 58 6.695 -10.688 6.956 1.00 24.12 O ATOM 918 CB ILE A 58 5.114 -8.416 8.217 1.00 75.43 C ATOM 919 CG1 ILE A 58 5.068 -6.911 8.559 1.00 50.10 C ATOM 920 CG2 ILE A 58 3.940 -9.196 8.833 1.00 53.42 C ATOM 921 CD1 ILE A 58 3.733 -6.227 8.251 1.00 43.11 C ATOM 0 H ILE A 58 7.528 -8.288 7.068 1.00 21.23 H new ATOM 0 HA ILE A 58 6.476 -8.972 9.751 1.00 21.43 H new ATOM 0 HB ILE A 58 5.022 -8.496 7.134 1.00 75.43 H new ATOM 0 HG12 ILE A 58 5.289 -6.786 9.619 1.00 50.10 H new ATOM 0 HG13 ILE A 58 5.858 -6.402 8.006 1.00 50.10 H new ATOM 0 HG21 ILE A 58 2.999 -8.750 8.512 1.00 53.42 H new ATOM 0 HG22 ILE A 58 3.980 -10.234 8.504 1.00 53.42 H new ATOM 0 HG23 ILE A 58 4.008 -9.158 9.920 1.00 53.42 H new ATOM 0 HD11 ILE A 58 3.793 -5.173 8.523 1.00 43.11 H new ATOM 0 HD12 ILE A 58 3.516 -6.315 7.186 1.00 43.11 H new ATOM 0 HD13 ILE A 58 2.939 -6.705 8.824 1.00 43.11 H new ATOM 933 N GLU A 59 6.586 -11.445 9.078 1.00 24.50 N ATOM 934 CA GLU A 59 6.748 -12.879 8.790 1.00 12.12 C ATOM 935 C GLU A 59 7.990 -13.172 7.927 1.00 21.54 C ATOM 936 O GLU A 59 8.014 -14.124 7.144 1.00 35.52 O ATOM 937 CB GLU A 59 5.452 -13.473 8.202 1.00 65.13 C ATOM 938 CG GLU A 59 4.294 -13.408 9.206 1.00 61.52 C ATOM 939 CD GLU A 59 3.030 -14.135 8.743 1.00 62.42 C ATOM 940 OE1 GLU A 59 3.096 -15.086 7.924 1.00 11.12 O ATOM 941 OE2 GLU A 59 1.938 -13.741 9.193 1.00 41.42 O ATOM 0 H GLU A 59 6.467 -11.255 10.073 1.00 24.50 H new ATOM 0 HA GLU A 59 6.931 -13.386 9.737 1.00 12.12 H new ATOM 0 HB2 GLU A 59 5.180 -12.930 7.297 1.00 65.13 H new ATOM 0 HB3 GLU A 59 5.625 -14.509 7.912 1.00 65.13 H new ATOM 0 HG2 GLU A 59 4.622 -13.838 10.152 1.00 61.52 H new ATOM 0 HG3 GLU A 59 4.051 -12.363 9.398 1.00 61.52 H new ATOM 948 N GLY A 60 9.022 -12.327 8.014 1.00 71.41 N ATOM 949 CA GLY A 60 10.228 -12.450 7.204 1.00 70.33 C ATOM 950 C GLY A 60 10.037 -12.074 5.727 1.00 31.41 C ATOM 951 O GLY A 60 10.995 -12.147 4.950 1.00 31.12 O ATOM 0 H GLY A 60 9.040 -11.534 8.655 1.00 71.41 H new ATOM 0 HA2 GLY A 60 11.005 -11.816 7.631 1.00 70.33 H new ATOM 0 HA3 GLY A 60 10.588 -13.477 7.262 1.00 70.33 H new ATOM 955 N VAL A 61 8.834 -11.668 5.320 1.00 44.23 N ATOM 956 CA VAL A 61 8.531 -11.065 4.025 1.00 43.20 C ATOM 957 C VAL A 61 9.177 -9.662 3.999 1.00 32.43 C ATOM 958 O VAL A 61 9.711 -9.198 5.006 1.00 75.22 O ATOM 959 CB VAL A 61 6.998 -11.133 3.782 1.00 43.15 C ATOM 960 CG1 VAL A 61 6.512 -10.727 2.379 1.00 71.21 C ATOM 961 CG2 VAL A 61 6.495 -12.563 3.996 1.00 74.03 C ATOM 0 H VAL A 61 8.008 -11.755 5.912 1.00 44.23 H new ATOM 0 HA VAL A 61 8.960 -11.601 3.178 1.00 43.20 H new ATOM 0 HB VAL A 61 6.602 -10.408 4.494 1.00 43.15 H new ATOM 0 HG11 VAL A 61 5.427 -10.815 2.330 1.00 71.21 H new ATOM 0 HG12 VAL A 61 6.802 -9.696 2.178 1.00 71.21 H new ATOM 0 HG13 VAL A 61 6.963 -11.383 1.634 1.00 71.21 H new ATOM 0 HG21 VAL A 61 5.419 -12.600 3.823 1.00 74.03 H new ATOM 0 HG22 VAL A 61 6.998 -13.234 3.299 1.00 74.03 H new ATOM 0 HG23 VAL A 61 6.709 -12.875 5.018 1.00 74.03 H new ATOM 971 N ARG A 62 9.274 -9.035 2.825 1.00 1.10 N ATOM 972 CA ARG A 62 9.717 -7.650 2.672 1.00 41.13 C ATOM 973 C ARG A 62 8.533 -6.696 2.889 1.00 30.41 C ATOM 974 O ARG A 62 8.430 -6.049 3.923 1.00 53.13 O ATOM 975 CB ARG A 62 10.398 -7.424 1.307 1.00 52.34 C ATOM 976 CG ARG A 62 11.764 -8.102 1.082 1.00 54.40 C ATOM 977 CD ARG A 62 11.730 -9.467 0.371 1.00 25.12 C ATOM 978 NE ARG A 62 11.440 -10.585 1.288 1.00 75.13 N ATOM 979 CZ ARG A 62 10.992 -11.806 0.957 1.00 31.23 C ATOM 980 NH1 ARG A 62 10.712 -12.114 -0.306 1.00 42.42 N ATOM 981 NH2 ARG A 62 10.806 -12.715 1.912 1.00 53.43 N ATOM 0 H ARG A 62 9.043 -9.484 1.939 1.00 1.10 H new ATOM 0 HA ARG A 62 10.469 -7.437 3.432 1.00 41.13 H new ATOM 0 HB2 ARG A 62 9.717 -7.768 0.528 1.00 52.34 H new ATOM 0 HB3 ARG A 62 10.526 -6.351 1.167 1.00 52.34 H new ATOM 0 HG2 ARG A 62 12.391 -7.427 0.500 1.00 54.40 H new ATOM 0 HG3 ARG A 62 12.247 -8.231 2.050 1.00 54.40 H new ATOM 0 HD2 ARG A 62 10.975 -9.443 -0.415 1.00 25.12 H new ATOM 0 HD3 ARG A 62 12.690 -9.642 -0.115 1.00 25.12 H new ATOM 0 HE ARG A 62 11.597 -10.412 2.281 1.00 75.13 H new ATOM 0 HH11 ARG A 62 10.837 -11.417 -1.041 1.00 42.42 H new ATOM 0 HH12 ARG A 62 10.372 -13.047 -0.540 1.00 42.42 H new ATOM 0 HH21 ARG A 62 11.004 -12.480 2.885 1.00 53.43 H new ATOM 0 HH22 ARG A 62 10.466 -13.646 1.671 1.00 53.43 H new ATOM 995 N CYS A 63 7.587 -6.653 1.943 1.00 41.44 N ATOM 996 CA CYS A 63 6.488 -5.677 1.910 1.00 43.30 C ATOM 997 C CYS A 63 6.998 -4.233 1.758 1.00 32.31 C ATOM 998 O CYS A 63 8.202 -3.978 1.767 1.00 25.12 O ATOM 999 CB CYS A 63 5.568 -5.798 3.141 1.00 13.24 C ATOM 1000 SG CYS A 63 5.037 -7.500 3.457 1.00 70.00 S ATOM 0 H CYS A 63 7.563 -7.309 1.162 1.00 41.44 H new ATOM 0 HA CYS A 63 5.898 -5.917 1.026 1.00 43.30 H new ATOM 0 HB2 CYS A 63 6.091 -5.417 4.018 1.00 13.24 H new ATOM 0 HB3 CYS A 63 4.689 -5.169 2.995 1.00 13.24 H new ATOM 0 HG CYS A 63 3.789 -7.505 3.820 1.00 70.00 H new ATOM 1006 N LEU A 64 6.068 -3.288 1.600 1.00 72.41 N ATOM 1007 CA LEU A 64 6.344 -1.862 1.455 1.00 22.15 C ATOM 1008 C LEU A 64 5.206 -1.103 2.132 1.00 71.44 C ATOM 1009 O LEU A 64 4.048 -1.282 1.749 1.00 10.52 O ATOM 1010 CB LEU A 64 6.426 -1.487 -0.040 1.00 53.22 C ATOM 1011 CG LEU A 64 7.746 -0.872 -0.515 1.00 41.05 C ATOM 1012 CD1 LEU A 64 7.590 -0.415 -1.960 1.00 22.34 C ATOM 1013 CD2 LEU A 64 8.276 0.274 0.342 1.00 42.32 C ATOM 0 H LEU A 64 5.072 -3.504 1.569 1.00 72.41 H new ATOM 0 HA LEU A 64 7.298 -1.606 1.916 1.00 22.15 H new ATOM 0 HB2 LEU A 64 6.236 -2.384 -0.629 1.00 53.22 H new ATOM 0 HB3 LEU A 64 5.622 -0.784 -0.261 1.00 53.22 H new ATOM 0 HG LEU A 64 8.494 -1.659 -0.422 1.00 41.05 H new ATOM 0 HD11 LEU A 64 8.526 0.024 -2.306 1.00 22.34 H new ATOM 0 HD12 LEU A 64 7.337 -1.270 -2.587 1.00 22.34 H new ATOM 0 HD13 LEU A 64 6.795 0.328 -2.023 1.00 22.34 H new ATOM 0 HD21 LEU A 64 9.213 0.639 -0.078 1.00 42.32 H new ATOM 0 HD22 LEU A 64 7.546 1.083 0.359 1.00 42.32 H new ATOM 0 HD23 LEU A 64 8.448 -0.081 1.358 1.00 42.32 H new ATOM 1025 N ALA A 65 5.510 -0.300 3.146 1.00 42.11 N ATOM 1026 CA ALA A 65 4.587 0.665 3.726 1.00 23.14 C ATOM 1027 C ALA A 65 4.347 1.790 2.708 1.00 44.55 C ATOM 1028 O ALA A 65 5.286 2.173 2.010 1.00 74.23 O ATOM 1029 CB ALA A 65 5.217 1.220 5.009 1.00 40.13 C ATOM 0 H ALA A 65 6.425 -0.303 3.596 1.00 42.11 H new ATOM 0 HA ALA A 65 3.631 0.201 3.967 1.00 23.14 H new ATOM 0 HB1 ALA A 65 4.542 1.946 5.461 1.00 40.13 H new ATOM 0 HB2 ALA A 65 5.394 0.404 5.710 1.00 40.13 H new ATOM 0 HB3 ALA A 65 6.163 1.705 4.769 1.00 40.13 H new ATOM 1035 N VAL A 66 3.127 2.324 2.632 1.00 12.31 N ATOM 1036 CA VAL A 66 2.698 3.456 1.801 1.00 65.35 C ATOM 1037 C VAL A 66 1.887 4.338 2.776 1.00 73.55 C ATOM 1038 O VAL A 66 0.818 3.916 3.229 1.00 71.02 O ATOM 1039 CB VAL A 66 1.877 3.003 0.591 1.00 24.30 C ATOM 1040 CG1 VAL A 66 1.355 4.200 -0.221 1.00 33.14 C ATOM 1041 CG2 VAL A 66 2.731 2.142 -0.347 1.00 1.45 C ATOM 0 H VAL A 66 2.357 1.952 3.188 1.00 12.31 H new ATOM 0 HA VAL A 66 3.535 3.996 1.358 1.00 65.35 H new ATOM 0 HB VAL A 66 1.035 2.431 0.981 1.00 24.30 H new ATOM 0 HG11 VAL A 66 0.777 3.838 -1.072 1.00 33.14 H new ATOM 0 HG12 VAL A 66 0.720 4.820 0.412 1.00 33.14 H new ATOM 0 HG13 VAL A 66 2.197 4.791 -0.580 1.00 33.14 H new ATOM 0 HG21 VAL A 66 2.131 1.829 -1.201 1.00 1.45 H new ATOM 0 HG22 VAL A 66 3.585 2.722 -0.697 1.00 1.45 H new ATOM 0 HG23 VAL A 66 3.085 1.262 0.189 1.00 1.45 H new ATOM 1051 N ASP A 67 2.407 5.493 3.187 1.00 32.44 N ATOM 1052 CA ASP A 67 1.738 6.431 4.103 1.00 14.32 C ATOM 1053 C ASP A 67 0.602 7.139 3.353 1.00 23.40 C ATOM 1054 O ASP A 67 0.816 7.690 2.269 1.00 15.21 O ATOM 1055 CB ASP A 67 2.786 7.422 4.639 1.00 73.52 C ATOM 1056 CG ASP A 67 2.278 8.460 5.656 1.00 45.02 C ATOM 1057 OD1 ASP A 67 1.073 8.764 5.700 1.00 61.41 O ATOM 1058 OD2 ASP A 67 3.132 9.005 6.405 1.00 2.14 O ATOM 0 H ASP A 67 3.327 5.816 2.888 1.00 32.44 H new ATOM 0 HA ASP A 67 1.298 5.909 4.953 1.00 14.32 H new ATOM 0 HB2 ASP A 67 3.591 6.852 5.103 1.00 73.52 H new ATOM 0 HB3 ASP A 67 3.219 7.955 3.792 1.00 73.52 H new ATOM 1063 N LEU A 68 -0.620 7.108 3.898 1.00 73.23 N ATOM 1064 CA LEU A 68 -1.802 7.702 3.264 1.00 70.55 C ATOM 1065 C LEU A 68 -1.687 9.222 3.156 1.00 70.15 C ATOM 1066 O LEU A 68 -2.373 9.818 2.327 1.00 13.23 O ATOM 1067 CB LEU A 68 -3.088 7.351 4.037 1.00 0.22 C ATOM 1068 CG LEU A 68 -3.981 6.285 3.383 1.00 4.34 C ATOM 1069 CD1 LEU A 68 -4.960 5.738 4.429 1.00 22.13 C ATOM 1070 CD2 LEU A 68 -4.754 6.870 2.194 1.00 22.40 C ATOM 0 H LEU A 68 -0.817 6.667 4.797 1.00 73.23 H new ATOM 0 HA LEU A 68 -1.856 7.281 2.260 1.00 70.55 H new ATOM 0 HB2 LEU A 68 -2.810 7.006 5.033 1.00 0.22 H new ATOM 0 HB3 LEU A 68 -3.674 8.261 4.167 1.00 0.22 H new ATOM 0 HG LEU A 68 -3.351 5.478 3.009 1.00 4.34 H new ATOM 0 HD11 LEU A 68 -5.597 4.981 3.971 1.00 22.13 H new ATOM 0 HD12 LEU A 68 -4.401 5.293 5.252 1.00 22.13 H new ATOM 0 HD13 LEU A 68 -5.579 6.551 4.808 1.00 22.13 H new ATOM 0 HD21 LEU A 68 -5.378 6.095 1.749 1.00 22.40 H new ATOM 0 HD22 LEU A 68 -5.384 7.690 2.538 1.00 22.40 H new ATOM 0 HD23 LEU A 68 -4.050 7.241 1.449 1.00 22.40 H new ATOM 1082 N LYS A 69 -0.815 9.871 3.936 1.00 33.13 N ATOM 1083 CA LYS A 69 -0.561 11.310 3.859 1.00 5.13 C ATOM 1084 C LYS A 69 -0.163 11.713 2.444 1.00 22.21 C ATOM 1085 O LYS A 69 -0.462 12.847 2.050 1.00 32.42 O ATOM 1086 CB LYS A 69 0.516 11.687 4.897 1.00 50.52 C ATOM 1087 CG LYS A 69 0.606 13.185 5.196 1.00 61.33 C ATOM 1088 CD LYS A 69 1.564 13.875 4.220 1.00 23.43 C ATOM 1089 CE LYS A 69 1.242 15.328 3.904 1.00 44.25 C ATOM 1090 NZ LYS A 69 -0.175 15.536 3.550 1.00 72.22 N ATOM 0 H LYS A 69 -0.258 9.401 4.650 1.00 33.13 H new ATOM 0 HA LYS A 69 -1.472 11.860 4.094 1.00 5.13 H new ATOM 0 HB2 LYS A 69 0.311 11.155 5.826 1.00 50.52 H new ATOM 0 HB3 LYS A 69 1.486 11.341 4.539 1.00 50.52 H new ATOM 0 HG2 LYS A 69 -0.384 13.636 5.122 1.00 61.33 H new ATOM 0 HG3 LYS A 69 0.950 13.337 6.219 1.00 61.33 H new ATOM 0 HD2 LYS A 69 2.572 13.826 4.631 1.00 23.43 H new ATOM 0 HD3 LYS A 69 1.573 13.312 3.287 1.00 23.43 H new ATOM 0 HE2 LYS A 69 1.491 15.946 4.767 1.00 44.25 H new ATOM 0 HE3 LYS A 69 1.871 15.664 3.079 1.00 44.25 H new ATOM 0 HZ1 LYS A 69 -0.242 16.230 2.778 1.00 72.22 H new ATOM 0 HZ2 LYS A 69 -0.592 14.634 3.242 1.00 72.22 H new ATOM 0 HZ3 LYS A 69 -0.692 15.891 4.380 1.00 72.22 H new ATOM 1104 N LEU A 70 0.466 10.810 1.681 1.00 64.40 N ATOM 1105 CA LEU A 70 0.786 11.016 0.276 1.00 65.55 C ATOM 1106 C LEU A 70 -0.452 11.453 -0.511 1.00 34.24 C ATOM 1107 O LEU A 70 -0.337 12.323 -1.362 1.00 33.01 O ATOM 1108 CB LEU A 70 1.405 9.731 -0.300 1.00 51.40 C ATOM 1109 CG LEU A 70 1.550 9.702 -1.836 1.00 21.15 C ATOM 1110 CD1 LEU A 70 2.565 10.722 -2.357 1.00 55.41 C ATOM 1111 CD2 LEU A 70 2.005 8.307 -2.260 1.00 52.43 C ATOM 0 H LEU A 70 0.769 9.903 2.035 1.00 64.40 H new ATOM 0 HA LEU A 70 1.515 11.821 0.187 1.00 65.55 H new ATOM 0 HB2 LEU A 70 2.390 9.591 0.145 1.00 51.40 H new ATOM 0 HB3 LEU A 70 0.793 8.883 0.007 1.00 51.40 H new ATOM 0 HG LEU A 70 0.578 9.958 -2.259 1.00 21.15 H new ATOM 0 HD11 LEU A 70 2.624 10.655 -3.443 1.00 55.41 H new ATOM 0 HD12 LEU A 70 2.251 11.726 -2.072 1.00 55.41 H new ATOM 0 HD13 LEU A 70 3.545 10.513 -1.927 1.00 55.41 H new ATOM 0 HD21 LEU A 70 2.111 8.273 -3.344 1.00 52.43 H new ATOM 0 HD22 LEU A 70 2.964 8.080 -1.794 1.00 52.43 H new ATOM 0 HD23 LEU A 70 1.265 7.571 -1.945 1.00 52.43 H new ATOM 1123 N LYS A 71 -1.637 10.899 -0.235 1.00 54.24 N ATOM 1124 CA LYS A 71 -2.837 11.139 -1.044 1.00 43.40 C ATOM 1125 C LYS A 71 -3.243 12.620 -1.053 1.00 14.42 C ATOM 1126 O LYS A 71 -3.717 13.116 -2.069 1.00 24.11 O ATOM 1127 CB LYS A 71 -3.959 10.226 -0.521 1.00 34.23 C ATOM 1128 CG LYS A 71 -5.235 10.185 -1.386 1.00 71.11 C ATOM 1129 CD LYS A 71 -5.484 8.820 -2.042 1.00 53.23 C ATOM 1130 CE LYS A 71 -6.960 8.638 -2.416 1.00 64.13 C ATOM 1131 NZ LYS A 71 -7.403 9.542 -3.494 1.00 51.32 N ATOM 0 H LYS A 71 -1.792 10.272 0.555 1.00 54.24 H new ATOM 0 HA LYS A 71 -2.630 10.895 -2.086 1.00 43.40 H new ATOM 0 HB2 LYS A 71 -3.568 9.212 -0.432 1.00 34.23 H new ATOM 0 HB3 LYS A 71 -4.231 10.552 0.483 1.00 34.23 H new ATOM 0 HG2 LYS A 71 -6.093 10.444 -0.766 1.00 71.11 H new ATOM 0 HG3 LYS A 71 -5.162 10.945 -2.163 1.00 71.11 H new ATOM 0 HD2 LYS A 71 -4.867 8.726 -2.936 1.00 53.23 H new ATOM 0 HD3 LYS A 71 -5.180 8.026 -1.360 1.00 53.23 H new ATOM 0 HE2 LYS A 71 -7.125 7.606 -2.726 1.00 64.13 H new ATOM 0 HE3 LYS A 71 -7.575 8.808 -1.533 1.00 64.13 H new ATOM 0 HZ1 LYS A 71 -8.438 9.637 -3.464 1.00 51.32 H new ATOM 0 HZ2 LYS A 71 -6.966 10.477 -3.365 1.00 51.32 H new ATOM 0 HZ3 LYS A 71 -7.118 9.151 -4.414 1.00 51.32 H new ATOM 1145 N ASP A 72 -2.996 13.349 0.036 1.00 23.35 N ATOM 1146 CA ASP A 72 -3.243 14.792 0.137 1.00 4.02 C ATOM 1147 C ASP A 72 -2.378 15.590 -0.839 1.00 53.32 C ATOM 1148 O ASP A 72 -2.835 16.565 -1.438 1.00 63.35 O ATOM 1149 CB ASP A 72 -2.897 15.233 1.560 1.00 62.22 C ATOM 1150 CG ASP A 72 -2.902 16.755 1.762 1.00 71.51 C ATOM 1151 OD1 ASP A 72 -3.984 17.378 1.685 1.00 70.31 O ATOM 1152 OD2 ASP A 72 -1.811 17.284 2.102 1.00 31.14 O ATOM 0 H ASP A 72 -2.611 12.947 0.891 1.00 23.35 H new ATOM 0 HA ASP A 72 -4.289 14.980 -0.106 1.00 4.02 H new ATOM 0 HB2 ASP A 72 -3.609 14.783 2.252 1.00 62.22 H new ATOM 0 HB3 ASP A 72 -1.912 14.846 1.820 1.00 62.22 H new ATOM 1157 N THR A 73 -1.115 15.188 -0.964 1.00 14.13 N ATOM 1158 CA THR A 73 -0.068 15.960 -1.628 1.00 24.24 C ATOM 1159 C THR A 73 0.213 15.459 -3.061 1.00 11.32 C ATOM 1160 O THR A 73 0.748 16.210 -3.885 1.00 61.54 O ATOM 1161 CB THR A 73 1.159 15.986 -0.686 1.00 53.34 C ATOM 1162 OG1 THR A 73 2.080 16.969 -1.081 1.00 24.33 O ATOM 1163 CG2 THR A 73 1.895 14.654 -0.537 1.00 21.35 C ATOM 0 H THR A 73 -0.784 14.295 -0.598 1.00 14.13 H new ATOM 0 HA THR A 73 -0.386 16.989 -1.795 1.00 24.24 H new ATOM 0 HB THR A 73 0.735 16.217 0.291 1.00 53.34 H new ATOM 0 HG1 THR A 73 2.845 16.966 -0.468 1.00 24.33 H new ATOM 0 HG21 THR A 73 2.738 14.778 0.143 1.00 21.35 H new ATOM 0 HG22 THR A 73 1.213 13.904 -0.136 1.00 21.35 H new ATOM 0 HG23 THR A 73 2.260 14.329 -1.511 1.00 21.35 H new ATOM 1171 N ASN A 74 -0.155 14.213 -3.372 1.00 31.25 N ATOM 1172 CA ASN A 74 -0.099 13.557 -4.674 1.00 13.33 C ATOM 1173 C ASN A 74 -1.039 12.337 -4.630 1.00 35.04 C ATOM 1174 O ASN A 74 -0.598 11.221 -4.328 1.00 13.11 O ATOM 1175 CB ASN A 74 1.341 13.160 -5.038 1.00 53.44 C ATOM 1176 CG ASN A 74 1.419 12.244 -6.255 1.00 52.10 C ATOM 1177 OD1 ASN A 74 0.496 12.156 -7.058 1.00 62.13 O ATOM 1178 ND2 ASN A 74 2.517 11.521 -6.405 1.00 41.30 N ATOM 0 H ASN A 74 -0.530 13.589 -2.658 1.00 31.25 H new ATOM 0 HA ASN A 74 -0.428 14.242 -5.455 1.00 13.33 H new ATOM 0 HB2 ASN A 74 1.922 14.062 -5.231 1.00 53.44 H new ATOM 0 HB3 ASN A 74 1.801 12.661 -4.185 1.00 53.44 H new ATOM 0 HD21 ASN A 74 2.603 10.882 -7.195 1.00 41.30 H new ATOM 0 HD22 ASN A 74 3.278 11.603 -5.731 1.00 41.30 H new ATOM 1185 N PRO A 75 -2.347 12.515 -4.897 1.00 4.21 N ATOM 1186 CA PRO A 75 -3.300 11.417 -4.927 1.00 41.20 C ATOM 1187 C PRO A 75 -2.981 10.449 -6.055 1.00 71.12 C ATOM 1188 O PRO A 75 -3.202 9.260 -5.878 1.00 53.24 O ATOM 1189 CB PRO A 75 -4.680 12.052 -5.107 1.00 31.13 C ATOM 1190 CG PRO A 75 -4.372 13.367 -5.811 1.00 31.35 C ATOM 1191 CD PRO A 75 -3.018 13.760 -5.223 1.00 60.12 C ATOM 0 HA PRO A 75 -3.260 10.833 -4.008 1.00 41.20 H new ATOM 0 HB2 PRO A 75 -5.338 11.421 -5.704 1.00 31.13 H new ATOM 0 HB3 PRO A 75 -5.176 12.215 -4.150 1.00 31.13 H new ATOM 0 HG2 PRO A 75 -4.322 13.244 -6.893 1.00 31.35 H new ATOM 0 HG3 PRO A 75 -5.134 14.121 -5.611 1.00 31.35 H new ATOM 0 HD2 PRO A 75 -2.436 14.341 -5.938 1.00 60.12 H new ATOM 0 HD3 PRO A 75 -3.143 14.380 -4.335 1.00 60.12 H new ATOM 1199 N GLU A 76 -2.454 10.932 -7.182 1.00 2.44 N ATOM 1200 CA GLU A 76 -2.071 10.157 -8.355 1.00 25.30 C ATOM 1201 C GLU A 76 -1.128 9.027 -7.938 1.00 53.21 C ATOM 1202 O GLU A 76 -1.391 7.867 -8.241 1.00 73.44 O ATOM 1203 CB GLU A 76 -1.393 11.120 -9.359 1.00 44.31 C ATOM 1204 CG GLU A 76 -1.988 11.113 -10.766 1.00 53.22 C ATOM 1205 CD GLU A 76 -1.228 12.108 -11.656 1.00 1.01 C ATOM 1206 OE1 GLU A 76 -1.394 13.343 -11.490 1.00 40.11 O ATOM 1207 OE2 GLU A 76 -0.408 11.660 -12.489 1.00 1.31 O ATOM 0 H GLU A 76 -2.275 11.929 -7.303 1.00 2.44 H new ATOM 0 HA GLU A 76 -2.941 9.700 -8.826 1.00 25.30 H new ATOM 0 HB2 GLU A 76 -1.450 12.133 -8.962 1.00 44.31 H new ATOM 0 HB3 GLU A 76 -0.336 10.864 -9.427 1.00 44.31 H new ATOM 0 HG2 GLU A 76 -1.928 10.111 -11.191 1.00 53.22 H new ATOM 0 HG3 GLU A 76 -3.044 11.380 -10.726 1.00 53.22 H new ATOM 1214 N GLY A 77 -0.072 9.357 -7.193 1.00 51.44 N ATOM 1215 CA GLY A 77 0.906 8.409 -6.695 1.00 14.55 C ATOM 1216 C GLY A 77 0.244 7.341 -5.836 1.00 30.31 C ATOM 1217 O GLY A 77 0.409 6.156 -6.109 1.00 23.14 O ATOM 0 H GLY A 77 0.125 10.319 -6.916 1.00 51.44 H new ATOM 0 HA2 GLY A 77 1.421 7.939 -7.533 1.00 14.55 H new ATOM 0 HA3 GLY A 77 1.661 8.934 -6.110 1.00 14.55 H new ATOM 1221 N PHE A 78 -0.507 7.735 -4.804 1.00 11.40 N ATOM 1222 CA PHE A 78 -1.157 6.776 -3.911 1.00 22.30 C ATOM 1223 C PHE A 78 -2.160 5.900 -4.675 1.00 45.14 C ATOM 1224 O PHE A 78 -2.204 4.687 -4.482 1.00 13.04 O ATOM 1225 CB PHE A 78 -1.839 7.520 -2.756 1.00 14.51 C ATOM 1226 CG PHE A 78 -2.339 6.577 -1.681 1.00 54.10 C ATOM 1227 CD1 PHE A 78 -3.543 5.869 -1.865 1.00 74.15 C ATOM 1228 CD2 PHE A 78 -1.558 6.340 -0.534 1.00 65.11 C ATOM 1229 CE1 PHE A 78 -3.944 4.904 -0.929 1.00 11.34 C ATOM 1230 CE2 PHE A 78 -1.963 5.377 0.405 1.00 22.34 C ATOM 1231 CZ PHE A 78 -3.149 4.655 0.202 1.00 42.10 C ATOM 0 H PHE A 78 -0.679 8.712 -4.567 1.00 11.40 H new ATOM 0 HA PHE A 78 -0.397 6.113 -3.498 1.00 22.30 H new ATOM 0 HB2 PHE A 78 -1.136 8.228 -2.317 1.00 14.51 H new ATOM 0 HB3 PHE A 78 -2.675 8.101 -3.144 1.00 14.51 H new ATOM 0 HD1 PHE A 78 -4.159 6.070 -2.729 1.00 74.15 H new ATOM 0 HD2 PHE A 78 -0.647 6.899 -0.376 1.00 65.11 H new ATOM 0 HE1 PHE A 78 -4.862 4.354 -1.078 1.00 11.34 H new ATOM 0 HE2 PHE A 78 -1.362 5.192 1.283 1.00 22.34 H new ATOM 0 HZ PHE A 78 -3.452 3.905 0.918 1.00 42.10 H new ATOM 1241 N ASN A 79 -2.954 6.513 -5.552 1.00 42.33 N ATOM 1242 CA ASN A 79 -3.956 5.865 -6.387 1.00 54.52 C ATOM 1243 C ASN A 79 -3.283 4.783 -7.233 1.00 1.41 C ATOM 1244 O ASN A 79 -3.699 3.628 -7.194 1.00 1.40 O ATOM 1245 CB ASN A 79 -4.652 6.924 -7.265 1.00 34.11 C ATOM 1246 CG ASN A 79 -5.701 7.776 -6.547 1.00 33.53 C ATOM 1247 OD1 ASN A 79 -6.174 7.486 -5.448 1.00 74.23 O ATOM 1248 ND2 ASN A 79 -6.103 8.874 -7.164 1.00 31.41 N ATOM 0 H ASN A 79 -2.912 7.521 -5.704 1.00 42.33 H new ATOM 0 HA ASN A 79 -4.717 5.388 -5.769 1.00 54.52 H new ATOM 0 HB2 ASN A 79 -3.892 7.586 -7.680 1.00 34.11 H new ATOM 0 HB3 ASN A 79 -5.129 6.420 -8.105 1.00 34.11 H new ATOM 0 HD21 ASN A 79 -6.802 9.476 -6.729 1.00 31.41 H new ATOM 0 HD22 ASN A 79 -5.714 9.119 -8.075 1.00 31.41 H new ATOM 1255 N GLN A 80 -2.202 5.121 -7.943 1.00 15.15 N ATOM 1256 CA GLN A 80 -1.428 4.155 -8.710 1.00 40.31 C ATOM 1257 C GLN A 80 -0.761 3.102 -7.819 1.00 13.10 C ATOM 1258 O GLN A 80 -0.589 1.962 -8.256 1.00 45.13 O ATOM 1259 CB GLN A 80 -0.366 4.878 -9.544 1.00 50.51 C ATOM 1260 CG GLN A 80 -0.956 5.643 -10.741 1.00 30.40 C ATOM 1261 CD GLN A 80 -0.046 5.473 -11.948 1.00 4.14 C ATOM 1262 OE1 GLN A 80 -0.113 4.462 -12.635 1.00 52.05 O ATOM 1263 NE2 GLN A 80 0.866 6.398 -12.196 1.00 11.03 N ATOM 0 H GLN A 80 -1.843 6.074 -7.999 1.00 15.15 H new ATOM 0 HA GLN A 80 -2.124 3.633 -9.367 1.00 40.31 H new ATOM 0 HB2 GLN A 80 0.175 5.576 -8.906 1.00 50.51 H new ATOM 0 HB3 GLN A 80 0.359 4.150 -9.908 1.00 50.51 H new ATOM 0 HG2 GLN A 80 -1.954 5.269 -10.969 1.00 30.40 H new ATOM 0 HG3 GLN A 80 -1.059 6.700 -10.496 1.00 30.40 H new ATOM 0 HE21 GLN A 80 0.913 7.236 -11.617 1.00 11.03 H new ATOM 0 HE22 GLN A 80 1.523 6.273 -12.966 1.00 11.03 H new ATOM 1272 N LEU A 81 -0.394 3.437 -6.579 1.00 54.11 N ATOM 1273 CA LEU A 81 0.167 2.475 -5.636 1.00 74.41 C ATOM 1274 C LEU A 81 -0.824 1.344 -5.375 1.00 12.32 C ATOM 1275 O LEU A 81 -0.428 0.182 -5.303 1.00 65.24 O ATOM 1276 CB LEU A 81 0.558 3.151 -4.306 1.00 73.35 C ATOM 1277 CG LEU A 81 1.932 2.665 -3.811 1.00 62.51 C ATOM 1278 CD1 LEU A 81 1.893 1.175 -3.488 1.00 24.44 C ATOM 1279 CD2 LEU A 81 3.053 3.215 -4.667 1.00 3.20 C ATOM 0 H LEU A 81 -0.479 4.382 -6.204 1.00 54.11 H new ATOM 0 HA LEU A 81 1.071 2.062 -6.084 1.00 74.41 H new ATOM 0 HB2 LEU A 81 0.579 4.233 -4.438 1.00 73.35 H new ATOM 0 HB3 LEU A 81 -0.199 2.937 -3.551 1.00 73.35 H new ATOM 0 HG LEU A 81 2.187 3.093 -2.841 1.00 62.51 H new ATOM 0 HD11 LEU A 81 2.874 0.852 -3.140 1.00 24.44 H new ATOM 0 HD12 LEU A 81 1.153 0.991 -2.709 1.00 24.44 H new ATOM 0 HD13 LEU A 81 1.624 0.615 -4.384 1.00 24.44 H new ATOM 0 HD21 LEU A 81 4.010 2.853 -4.290 1.00 3.20 H new ATOM 0 HD22 LEU A 81 2.920 2.885 -5.697 1.00 3.20 H new ATOM 0 HD23 LEU A 81 3.038 4.304 -4.631 1.00 3.20 H new ATOM 1291 N MET A 82 -2.114 1.679 -5.271 1.00 31.42 N ATOM 1292 CA MET A 82 -3.151 0.670 -5.083 1.00 4.53 C ATOM 1293 C MET A 82 -3.072 -0.378 -6.184 1.00 34.41 C ATOM 1294 O MET A 82 -3.054 -1.576 -5.885 1.00 1.34 O ATOM 1295 CB MET A 82 -4.570 1.261 -5.076 1.00 3.22 C ATOM 1296 CG MET A 82 -4.863 2.272 -3.965 1.00 60.04 C ATOM 1297 SD MET A 82 -5.808 1.579 -2.579 1.00 74.14 S ATOM 1298 CE MET A 82 -4.443 1.027 -1.542 1.00 31.23 C ATOM 0 H MET A 82 -2.460 2.638 -5.314 1.00 31.42 H new ATOM 0 HA MET A 82 -2.966 0.223 -4.106 1.00 4.53 H new ATOM 0 HB2 MET A 82 -4.747 1.744 -6.037 1.00 3.22 H new ATOM 0 HB3 MET A 82 -5.284 0.442 -4.994 1.00 3.22 H new ATOM 0 HG2 MET A 82 -3.920 2.668 -3.588 1.00 60.04 H new ATOM 0 HG3 MET A 82 -5.416 3.112 -4.386 1.00 60.04 H new ATOM 0 HE1 MET A 82 -4.833 0.651 -0.596 1.00 31.23 H new ATOM 0 HE2 MET A 82 -3.897 0.233 -2.051 1.00 31.23 H new ATOM 0 HE3 MET A 82 -3.771 1.863 -1.350 1.00 31.23 H new ATOM 1308 N HIS A 83 -3.010 0.080 -7.438 1.00 50.54 N ATOM 1309 CA HIS A 83 -2.990 -0.798 -8.591 1.00 4.23 C ATOM 1310 C HIS A 83 -1.777 -1.714 -8.562 1.00 11.02 C ATOM 1311 O HIS A 83 -1.937 -2.894 -8.847 1.00 4.24 O ATOM 1312 CB HIS A 83 -3.017 0.000 -9.897 1.00 73.33 C ATOM 1313 CG HIS A 83 -3.376 -0.830 -11.113 1.00 12.53 C ATOM 1314 ND1 HIS A 83 -2.923 -0.616 -12.394 1.00 55.41 N ATOM 1315 CD2 HIS A 83 -4.170 -1.947 -11.149 1.00 11.34 C ATOM 1316 CE1 HIS A 83 -3.451 -1.561 -13.189 1.00 1.41 C ATOM 1317 NE2 HIS A 83 -4.233 -2.390 -12.476 1.00 34.51 N ATOM 0 H HIS A 83 -2.973 1.072 -7.673 1.00 50.54 H new ATOM 0 HA HIS A 83 -3.889 -1.413 -8.546 1.00 4.23 H new ATOM 0 HB2 HIS A 83 -3.735 0.814 -9.800 1.00 73.33 H new ATOM 0 HB3 HIS A 83 -2.039 0.454 -10.055 1.00 73.33 H new ATOM 0 HD2 HIS A 83 -4.661 -2.405 -10.303 1.00 11.34 H new ATOM 0 HE1 HIS A 83 -3.273 -1.643 -14.251 1.00 1.41 H new ATOM 0 HE2 HIS A 83 -4.766 -3.184 -12.831 1.00 34.51 H new ATOM 1325 N PHE A 84 -0.601 -1.201 -8.184 1.00 32.43 N ATOM 1326 CA PHE A 84 0.639 -1.969 -8.156 1.00 34.32 C ATOM 1327 C PHE A 84 0.468 -3.283 -7.394 1.00 50.32 C ATOM 1328 O PHE A 84 0.956 -4.323 -7.850 1.00 51.45 O ATOM 1329 CB PHE A 84 1.776 -1.145 -7.541 1.00 5.44 C ATOM 1330 CG PHE A 84 3.074 -1.917 -7.445 1.00 44.00 C ATOM 1331 CD1 PHE A 84 3.311 -2.738 -6.327 1.00 71.45 C ATOM 1332 CD2 PHE A 84 4.012 -1.870 -8.494 1.00 15.45 C ATOM 1333 CE1 PHE A 84 4.470 -3.523 -6.267 1.00 43.00 C ATOM 1334 CE2 PHE A 84 5.191 -2.631 -8.415 1.00 72.54 C ATOM 1335 CZ PHE A 84 5.418 -3.455 -7.300 1.00 63.24 C ATOM 0 H PHE A 84 -0.487 -0.232 -7.887 1.00 32.43 H new ATOM 0 HA PHE A 84 0.897 -2.208 -9.188 1.00 34.32 H new ATOM 0 HB2 PHE A 84 1.935 -0.249 -8.141 1.00 5.44 H new ATOM 0 HB3 PHE A 84 1.481 -0.814 -6.545 1.00 5.44 H new ATOM 0 HD1 PHE A 84 2.599 -2.763 -5.515 1.00 71.45 H new ATOM 0 HD2 PHE A 84 3.826 -1.250 -9.358 1.00 15.45 H new ATOM 0 HE1 PHE A 84 4.634 -4.180 -5.426 1.00 43.00 H new ATOM 0 HE2 PHE A 84 5.921 -2.582 -9.210 1.00 72.54 H new ATOM 0 HZ PHE A 84 6.325 -4.038 -7.237 1.00 63.24 H new ATOM 1345 N ALA A 85 -0.211 -3.261 -6.240 1.00 4.45 N ATOM 1346 CA ALA A 85 -0.437 -4.494 -5.498 1.00 34.13 C ATOM 1347 C ALA A 85 -1.235 -5.479 -6.352 1.00 43.12 C ATOM 1348 O ALA A 85 -0.795 -6.605 -6.594 1.00 11.43 O ATOM 1349 CB ALA A 85 -1.176 -4.202 -4.196 1.00 74.02 C ATOM 0 H ALA A 85 -0.603 -2.421 -5.813 1.00 4.45 H new ATOM 0 HA ALA A 85 0.528 -4.940 -5.255 1.00 34.13 H new ATOM 0 HB1 ALA A 85 -1.338 -5.133 -3.653 1.00 74.02 H new ATOM 0 HB2 ALA A 85 -0.581 -3.523 -3.584 1.00 74.02 H new ATOM 0 HB3 ALA A 85 -2.138 -3.741 -4.419 1.00 74.02 H new ATOM 1355 N THR A 86 -2.408 -5.042 -6.809 1.00 42.42 N ATOM 1356 CA THR A 86 -3.351 -5.878 -7.523 1.00 50.12 C ATOM 1357 C THR A 86 -2.739 -6.381 -8.837 1.00 3.51 C ATOM 1358 O THR A 86 -2.911 -7.549 -9.152 1.00 64.52 O ATOM 1359 CB THR A 86 -4.665 -5.102 -7.730 1.00 54.03 C ATOM 1360 OG1 THR A 86 -4.964 -4.271 -6.614 1.00 42.03 O ATOM 1361 CG2 THR A 86 -5.856 -6.045 -7.891 1.00 73.43 C ATOM 0 H THR A 86 -2.727 -4.081 -6.688 1.00 42.42 H new ATOM 0 HA THR A 86 -3.583 -6.766 -6.936 1.00 50.12 H new ATOM 0 HB THR A 86 -4.514 -4.507 -8.631 1.00 54.03 H new ATOM 0 HG1 THR A 86 -5.803 -3.792 -6.779 1.00 42.03 H new ATOM 0 HG21 THR A 86 -6.765 -5.461 -8.035 1.00 73.43 H new ATOM 0 HG22 THR A 86 -5.697 -6.688 -8.757 1.00 73.43 H new ATOM 0 HG23 THR A 86 -5.957 -6.659 -6.996 1.00 73.43 H new ATOM 1369 N GLU A 87 -1.957 -5.566 -9.556 1.00 75.05 N ATOM 1370 CA GLU A 87 -1.274 -5.920 -10.795 1.00 14.35 C ATOM 1371 C GLU A 87 -0.410 -7.160 -10.598 1.00 44.14 C ATOM 1372 O GLU A 87 -0.389 -8.055 -11.443 1.00 55.32 O ATOM 1373 CB GLU A 87 -0.340 -4.775 -11.214 1.00 30.32 C ATOM 1374 CG GLU A 87 -0.982 -3.685 -12.066 1.00 74.45 C ATOM 1375 CD GLU A 87 0.061 -2.748 -12.679 1.00 21.01 C ATOM 1376 OE1 GLU A 87 1.191 -2.622 -12.141 1.00 15.24 O ATOM 1377 OE2 GLU A 87 -0.205 -2.177 -13.758 1.00 75.14 O ATOM 0 H GLU A 87 -1.779 -4.602 -9.273 1.00 75.05 H new ATOM 0 HA GLU A 87 -2.034 -6.108 -11.554 1.00 14.35 H new ATOM 0 HB2 GLU A 87 0.070 -4.315 -10.315 1.00 30.32 H new ATOM 0 HB3 GLU A 87 0.499 -5.197 -11.767 1.00 30.32 H new ATOM 0 HG2 GLU A 87 -1.568 -4.145 -12.862 1.00 74.45 H new ATOM 0 HG3 GLU A 87 -1.674 -3.107 -11.454 1.00 74.45 H new ATOM 1384 N ASN A 88 0.326 -7.190 -9.488 1.00 54.25 N ATOM 1385 CA ASN A 88 1.282 -8.234 -9.153 1.00 60.43 C ATOM 1386 C ASN A 88 0.623 -9.366 -8.364 1.00 33.15 C ATOM 1387 O ASN A 88 1.304 -10.284 -7.910 1.00 10.20 O ATOM 1388 CB ASN A 88 2.442 -7.597 -8.382 1.00 10.44 C ATOM 1389 CG ASN A 88 3.280 -6.725 -9.297 1.00 51.24 C ATOM 1390 OD1 ASN A 88 3.948 -7.234 -10.194 1.00 43.42 O ATOM 1391 ND2 ASN A 88 3.229 -5.412 -9.150 1.00 54.15 N ATOM 0 H ASN A 88 0.268 -6.462 -8.776 1.00 54.25 H new ATOM 0 HA ASN A 88 1.665 -8.689 -10.066 1.00 60.43 H new ATOM 0 HB2 ASN A 88 2.053 -6.999 -7.558 1.00 10.44 H new ATOM 0 HB3 ASN A 88 3.065 -8.376 -7.943 1.00 10.44 H new ATOM 0 HD21 ASN A 88 3.749 -4.807 -9.786 1.00 54.15 H new ATOM 0 HD22 ASN A 88 2.670 -5.004 -8.401 1.00 54.15 H new ATOM 1398 N GLN A 89 -0.701 -9.312 -8.194 1.00 53.22 N ATOM 1399 CA GLN A 89 -1.503 -10.184 -7.347 1.00 3.02 C ATOM 1400 C GLN A 89 -0.996 -10.214 -5.894 1.00 44.24 C ATOM 1401 O GLN A 89 -1.278 -11.168 -5.161 1.00 70.31 O ATOM 1402 CB GLN A 89 -1.669 -11.590 -7.959 1.00 61.12 C ATOM 1403 CG GLN A 89 -1.887 -11.641 -9.482 1.00 42.34 C ATOM 1404 CD GLN A 89 -2.941 -10.660 -9.995 1.00 53.05 C ATOM 1405 OE1 GLN A 89 -4.099 -10.680 -9.586 1.00 25.31 O ATOM 1406 NE2 GLN A 89 -2.583 -9.767 -10.900 1.00 23.50 N ATOM 0 H GLN A 89 -1.270 -8.615 -8.675 1.00 53.22 H new ATOM 0 HA GLN A 89 -2.503 -9.754 -7.302 1.00 3.02 H new ATOM 0 HB2 GLN A 89 -0.782 -12.176 -7.719 1.00 61.12 H new ATOM 0 HB3 GLN A 89 -2.514 -12.078 -7.474 1.00 61.12 H new ATOM 0 HG2 GLN A 89 -0.940 -11.434 -9.981 1.00 42.34 H new ATOM 0 HG3 GLN A 89 -2.181 -12.653 -9.763 1.00 42.34 H new ATOM 0 HE21 GLN A 89 -1.623 -9.746 -11.243 1.00 23.50 H new ATOM 0 HE22 GLN A 89 -3.267 -9.099 -11.255 1.00 23.50 H new ATOM 1415 N LEU A 90 -0.260 -9.186 -5.459 1.00 73.14 N ATOM 1416 CA LEU A 90 0.222 -9.029 -4.094 1.00 22.10 C ATOM 1417 C LEU A 90 -0.957 -8.745 -3.173 1.00 20.42 C ATOM 1418 O LEU A 90 -1.969 -8.183 -3.597 1.00 63.11 O ATOM 1419 CB LEU A 90 1.248 -7.890 -4.004 1.00 51.42 C ATOM 1420 CG LEU A 90 2.567 -8.179 -4.743 1.00 25.34 C ATOM 1421 CD1 LEU A 90 3.473 -6.944 -4.725 1.00 23.31 C ATOM 1422 CD2 LEU A 90 3.326 -9.384 -4.171 1.00 11.44 C ATOM 0 H LEU A 90 0.022 -8.420 -6.070 1.00 73.14 H new ATOM 0 HA LEU A 90 0.714 -9.952 -3.786 1.00 22.10 H new ATOM 0 HB2 LEU A 90 0.805 -6.982 -4.413 1.00 51.42 H new ATOM 0 HB3 LEU A 90 1.467 -7.693 -2.954 1.00 51.42 H new ATOM 0 HG LEU A 90 2.295 -8.427 -5.769 1.00 25.34 H new ATOM 0 HD11 LEU A 90 4.401 -7.166 -5.252 1.00 23.31 H new ATOM 0 HD12 LEU A 90 2.966 -6.114 -5.217 1.00 23.31 H new ATOM 0 HD13 LEU A 90 3.697 -6.672 -3.694 1.00 23.31 H new ATOM 0 HD21 LEU A 90 4.246 -9.535 -4.735 1.00 11.44 H new ATOM 0 HD22 LEU A 90 3.568 -9.198 -3.125 1.00 11.44 H new ATOM 0 HD23 LEU A 90 2.703 -10.275 -4.247 1.00 11.44 H new ATOM 1434 N ASN A 91 -0.835 -9.163 -1.915 1.00 60.23 N ATOM 1435 CA ASN A 91 -1.873 -8.936 -0.914 1.00 15.44 C ATOM 1436 C ASN A 91 -1.790 -7.496 -0.392 1.00 43.32 C ATOM 1437 O ASN A 91 -0.734 -6.864 -0.491 1.00 2.00 O ATOM 1438 CB ASN A 91 -1.692 -9.948 0.223 1.00 33.32 C ATOM 1439 CG ASN A 91 -2.902 -10.076 1.131 1.00 32.35 C ATOM 1440 OD1 ASN A 91 -3.995 -9.609 0.828 1.00 65.05 O ATOM 1441 ND2 ASN A 91 -2.723 -10.761 2.246 1.00 72.44 N ATOM 0 H ASN A 91 -0.020 -9.665 -1.563 1.00 60.23 H new ATOM 0 HA ASN A 91 -2.860 -9.073 -1.357 1.00 15.44 H new ATOM 0 HB2 ASN A 91 -1.467 -10.925 -0.205 1.00 33.32 H new ATOM 0 HB3 ASN A 91 -0.830 -9.656 0.822 1.00 33.32 H new ATOM 0 HD21 ASN A 91 -3.506 -10.914 2.882 1.00 72.44 H new ATOM 0 HD22 ASN A 91 -1.802 -11.137 2.471 1.00 72.44 H new ATOM 1448 N ILE A 92 -2.862 -6.987 0.213 1.00 45.15 N ATOM 1449 CA ILE A 92 -2.950 -5.622 0.724 1.00 40.02 C ATOM 1450 C ILE A 92 -3.204 -5.744 2.220 1.00 2.15 C ATOM 1451 O ILE A 92 -4.218 -6.313 2.631 1.00 20.13 O ATOM 1452 CB ILE A 92 -4.050 -4.810 -0.001 1.00 22.14 C ATOM 1453 CG1 ILE A 92 -3.808 -4.793 -1.529 1.00 64.15 C ATOM 1454 CG2 ILE A 92 -4.079 -3.366 0.550 1.00 41.02 C ATOM 1455 CD1 ILE A 92 -4.984 -4.220 -2.324 1.00 72.15 C ATOM 0 H ILE A 92 -3.714 -7.527 0.365 1.00 45.15 H new ATOM 0 HA ILE A 92 -2.029 -5.069 0.539 1.00 40.02 H new ATOM 0 HB ILE A 92 -5.013 -5.287 0.184 1.00 22.14 H new ATOM 0 HG12 ILE A 92 -2.915 -4.206 -1.741 1.00 64.15 H new ATOM 0 HG13 ILE A 92 -3.610 -5.809 -1.869 1.00 64.15 H new ATOM 0 HG21 ILE A 92 -4.854 -2.797 0.038 1.00 41.02 H new ATOM 0 HG22 ILE A 92 -4.292 -3.389 1.619 1.00 41.02 H new ATOM 0 HG23 ILE A 92 -3.111 -2.893 0.383 1.00 41.02 H new ATOM 0 HD11 ILE A 92 -4.747 -4.238 -3.388 1.00 72.15 H new ATOM 0 HD12 ILE A 92 -5.875 -4.821 -2.140 1.00 72.15 H new ATOM 0 HD13 ILE A 92 -5.169 -3.193 -2.011 1.00 72.15 H new ATOM 1467 N LEU A 93 -2.271 -5.247 3.029 1.00 70.30 N ATOM 1468 CA LEU A 93 -2.447 -5.066 4.450 1.00 71.51 C ATOM 1469 C LEU A 93 -2.668 -3.587 4.745 1.00 3.42 C ATOM 1470 O LEU A 93 -2.460 -2.717 3.894 1.00 25.01 O ATOM 1471 CB LEU A 93 -1.198 -5.512 5.211 1.00 13.34 C ATOM 1472 CG LEU A 93 -0.650 -6.910 4.984 1.00 3.53 C ATOM 1473 CD1 LEU A 93 0.677 -7.101 5.730 1.00 62.33 C ATOM 1474 CD2 LEU A 93 -1.613 -8.050 5.290 1.00 12.05 C ATOM 0 H LEU A 93 -1.352 -4.955 2.696 1.00 70.30 H new ATOM 0 HA LEU A 93 -3.303 -5.662 4.766 1.00 71.51 H new ATOM 0 HB2 LEU A 93 -0.402 -4.806 4.976 1.00 13.34 H new ATOM 0 HB3 LEU A 93 -1.410 -5.412 6.276 1.00 13.34 H new ATOM 0 HG LEU A 93 -0.485 -6.971 3.908 1.00 3.53 H new ATOM 0 HD11 LEU A 93 1.052 -8.109 5.554 1.00 62.33 H new ATOM 0 HD12 LEU A 93 1.405 -6.375 5.369 1.00 62.33 H new ATOM 0 HD13 LEU A 93 0.518 -6.955 6.798 1.00 62.33 H new ATOM 0 HD21 LEU A 93 -1.122 -9.003 5.094 1.00 12.05 H new ATOM 0 HD22 LEU A 93 -1.911 -8.003 6.337 1.00 12.05 H new ATOM 0 HD23 LEU A 93 -2.496 -7.960 4.657 1.00 12.05 H new ATOM 1486 N ASP A 94 -2.995 -3.323 5.998 1.00 51.34 N ATOM 1487 CA ASP A 94 -3.159 -1.996 6.595 1.00 71.52 C ATOM 1488 C ASP A 94 -1.947 -1.637 7.464 1.00 65.04 C ATOM 1489 O ASP A 94 -0.930 -2.336 7.464 1.00 40.42 O ATOM 1490 CB ASP A 94 -4.457 -1.895 7.417 1.00 51.44 C ATOM 1491 CG ASP A 94 -4.300 -2.385 8.855 1.00 4.40 C ATOM 1492 OD1 ASP A 94 -3.698 -3.456 9.066 1.00 0.40 O ATOM 1493 OD2 ASP A 94 -4.690 -1.641 9.783 1.00 14.33 O ATOM 0 H ASP A 94 -3.165 -4.070 6.672 1.00 51.34 H new ATOM 0 HA ASP A 94 -3.229 -1.279 5.777 1.00 71.52 H new ATOM 0 HB2 ASP A 94 -4.792 -0.858 7.428 1.00 51.44 H new ATOM 0 HB3 ASP A 94 -5.237 -2.477 6.925 1.00 51.44 H new ATOM 1498 N ALA A 95 -2.069 -0.538 8.211 1.00 33.11 N ATOM 1499 CA ALA A 95 -1.074 -0.036 9.151 1.00 13.40 C ATOM 1500 C ALA A 95 -0.721 -1.046 10.250 1.00 42.02 C ATOM 1501 O ALA A 95 0.412 -1.048 10.737 1.00 34.51 O ATOM 1502 CB ALA A 95 -1.584 1.265 9.796 1.00 34.24 C ATOM 0 H ALA A 95 -2.902 0.050 8.173 1.00 33.11 H new ATOM 0 HA ALA A 95 -0.163 0.147 8.581 1.00 13.40 H new ATOM 0 HB1 ALA A 95 -0.839 1.639 10.498 1.00 34.24 H new ATOM 0 HB2 ALA A 95 -1.759 2.011 9.021 1.00 34.24 H new ATOM 0 HB3 ALA A 95 -2.516 1.067 10.326 1.00 34.24 H new ATOM 1508 N GLU A 96 -1.672 -1.880 10.671 1.00 33.30 N ATOM 1509 CA GLU A 96 -1.473 -2.929 11.670 1.00 51.03 C ATOM 1510 C GLU A 96 -0.897 -4.213 11.062 1.00 2.24 C ATOM 1511 O GLU A 96 -0.578 -5.160 11.790 1.00 72.10 O ATOM 1512 CB GLU A 96 -2.810 -3.295 12.306 1.00 35.54 C ATOM 1513 CG GLU A 96 -3.459 -2.129 13.058 1.00 61.13 C ATOM 1514 CD GLU A 96 -2.648 -1.605 14.239 1.00 72.15 C ATOM 1515 OE1 GLU A 96 -2.147 -2.410 15.056 1.00 41.01 O ATOM 1516 OE2 GLU A 96 -2.517 -0.367 14.366 1.00 64.55 O ATOM 0 H GLU A 96 -2.628 -1.843 10.317 1.00 33.30 H new ATOM 0 HA GLU A 96 -0.770 -2.531 12.402 1.00 51.03 H new ATOM 0 HB2 GLU A 96 -3.491 -3.643 11.530 1.00 35.54 H new ATOM 0 HB3 GLU A 96 -2.662 -4.126 12.995 1.00 35.54 H new ATOM 0 HG2 GLU A 96 -3.627 -1.311 12.358 1.00 61.13 H new ATOM 0 HG3 GLU A 96 -4.438 -2.446 13.418 1.00 61.13 H new ATOM 1523 N GLY A 97 -0.804 -4.276 9.737 1.00 2.54 N ATOM 1524 CA GLY A 97 -0.454 -5.462 8.991 1.00 0.32 C ATOM 1525 C GLY A 97 -1.567 -6.510 8.967 1.00 14.23 C ATOM 1526 O GLY A 97 -1.266 -7.695 8.830 1.00 12.20 O ATOM 0 H GLY A 97 -0.978 -3.468 9.139 1.00 2.54 H new ATOM 0 HA2 GLY A 97 -0.208 -5.180 7.967 1.00 0.32 H new ATOM 0 HA3 GLY A 97 0.443 -5.904 9.424 1.00 0.32 H new ATOM 1530 N ASN A 98 -2.832 -6.113 9.117 1.00 23.13 N ATOM 1531 CA ASN A 98 -3.997 -6.968 8.896 1.00 24.53 C ATOM 1532 C ASN A 98 -4.382 -6.873 7.422 1.00 63.23 C ATOM 1533 O ASN A 98 -4.342 -5.776 6.868 1.00 61.12 O ATOM 1534 CB ASN A 98 -5.188 -6.462 9.720 1.00 21.35 C ATOM 1535 CG ASN A 98 -4.949 -6.471 11.225 1.00 5.44 C ATOM 1536 OD1 ASN A 98 -4.432 -7.442 11.776 1.00 50.13 O ATOM 1537 ND2 ASN A 98 -5.361 -5.432 11.934 1.00 75.51 N ATOM 0 H ASN A 98 -3.079 -5.165 9.402 1.00 23.13 H new ATOM 0 HA ASN A 98 -3.755 -7.990 9.186 1.00 24.53 H new ATOM 0 HB2 ASN A 98 -5.428 -5.446 9.407 1.00 21.35 H new ATOM 0 HB3 ASN A 98 -6.059 -7.078 9.497 1.00 21.35 H new ATOM 0 HD21 ASN A 98 -5.251 -5.431 12.948 1.00 75.51 H new ATOM 0 HD22 ASN A 98 -5.788 -4.633 11.466 1.00 75.51 H new ATOM 1544 N SER A 99 -4.774 -7.977 6.778 1.00 62.21 N ATOM 1545 CA SER A 99 -5.210 -7.947 5.386 1.00 73.34 C ATOM 1546 C SER A 99 -6.609 -7.358 5.245 1.00 34.21 C ATOM 1547 O SER A 99 -7.532 -7.775 5.952 1.00 22.05 O ATOM 1548 CB SER A 99 -5.112 -9.327 4.735 1.00 45.35 C ATOM 1549 OG SER A 99 -5.341 -10.407 5.622 1.00 22.30 O ATOM 0 H SER A 99 -4.797 -8.904 7.204 1.00 62.21 H new ATOM 0 HA SER A 99 -4.528 -7.287 4.850 1.00 73.34 H new ATOM 0 HB2 SER A 99 -5.833 -9.383 3.919 1.00 45.35 H new ATOM 0 HB3 SER A 99 -4.122 -9.438 4.294 1.00 45.35 H new ATOM 0 HG SER A 99 -5.263 -11.253 5.134 1.00 22.30 H new ATOM 1555 N ILE A 100 -6.749 -6.428 4.301 1.00 40.22 N ATOM 1556 CA ILE A 100 -7.938 -5.636 4.010 1.00 62.13 C ATOM 1557 C ILE A 100 -8.173 -5.606 2.491 1.00 44.41 C ATOM 1558 O ILE A 100 -7.473 -6.265 1.721 1.00 10.25 O ATOM 1559 CB ILE A 100 -7.794 -4.214 4.611 1.00 54.11 C ATOM 1560 CG1 ILE A 100 -6.476 -3.531 4.178 1.00 22.12 C ATOM 1561 CG2 ILE A 100 -7.948 -4.252 6.140 1.00 73.24 C ATOM 1562 CD1 ILE A 100 -6.540 -2.005 4.289 1.00 73.30 C ATOM 0 H ILE A 100 -5.978 -6.193 3.676 1.00 40.22 H new ATOM 0 HA ILE A 100 -8.813 -6.092 4.474 1.00 62.13 H new ATOM 0 HB ILE A 100 -8.602 -3.601 4.210 1.00 54.11 H new ATOM 0 HG12 ILE A 100 -5.658 -3.903 4.796 1.00 22.12 H new ATOM 0 HG13 ILE A 100 -6.249 -3.808 3.148 1.00 22.12 H new ATOM 0 HG21 ILE A 100 -7.843 -3.244 6.541 1.00 73.24 H new ATOM 0 HG22 ILE A 100 -8.932 -4.645 6.397 1.00 73.24 H new ATOM 0 HG23 ILE A 100 -7.178 -4.894 6.567 1.00 73.24 H new ATOM 0 HD11 ILE A 100 -5.589 -1.577 3.973 1.00 73.30 H new ATOM 0 HD12 ILE A 100 -7.338 -1.627 3.650 1.00 73.30 H new ATOM 0 HD13 ILE A 100 -6.739 -1.723 5.323 1.00 73.30 H new ATOM 1574 N ASP A 101 -9.170 -4.841 2.044 1.00 53.54 N ATOM 1575 CA ASP A 101 -9.486 -4.608 0.635 1.00 73.00 C ATOM 1576 C ASP A 101 -9.339 -3.127 0.336 1.00 41.10 C ATOM 1577 O ASP A 101 -9.550 -2.274 1.195 1.00 73.32 O ATOM 1578 CB ASP A 101 -10.935 -4.960 0.316 1.00 22.34 C ATOM 1579 CG ASP A 101 -11.197 -6.380 -0.184 1.00 11.14 C ATOM 1580 OD1 ASP A 101 -10.880 -6.690 -1.361 1.00 11.44 O ATOM 1581 OD2 ASP A 101 -11.854 -7.127 0.573 1.00 13.33 O ATOM 0 H ASP A 101 -9.802 -4.349 2.676 1.00 53.54 H new ATOM 0 HA ASP A 101 -8.811 -5.228 0.045 1.00 73.00 H new ATOM 0 HB2 ASP A 101 -11.531 -4.799 1.214 1.00 22.34 H new ATOM 0 HB3 ASP A 101 -11.298 -4.261 -0.437 1.00 22.34 H new ATOM 1586 N ALA A 102 -9.103 -2.834 -0.932 1.00 1.32 N ATOM 1587 CA ALA A 102 -8.670 -1.536 -1.425 1.00 43.35 C ATOM 1588 C ALA A 102 -9.721 -0.433 -1.257 1.00 64.10 C ATOM 1589 O ALA A 102 -9.334 0.734 -1.155 1.00 75.34 O ATOM 1590 CB ALA A 102 -8.270 -1.676 -2.895 1.00 62.32 C ATOM 0 H ALA A 102 -9.212 -3.522 -1.677 1.00 1.32 H new ATOM 0 HA ALA A 102 -7.818 -1.224 -0.821 1.00 43.35 H new ATOM 0 HB1 ALA A 102 -7.943 -0.709 -3.277 1.00 62.32 H new ATOM 0 HB2 ALA A 102 -7.456 -2.395 -2.984 1.00 62.32 H new ATOM 0 HB3 ALA A 102 -9.126 -2.024 -3.473 1.00 62.32 H new ATOM 1596 N ALA A 103 -11.024 -0.752 -1.213 1.00 41.22 N ATOM 1597 CA ALA A 103 -12.036 0.294 -1.002 1.00 13.02 C ATOM 1598 C ALA A 103 -11.923 0.874 0.403 1.00 15.04 C ATOM 1599 O ALA A 103 -12.107 2.074 0.588 1.00 22.45 O ATOM 1600 CB ALA A 103 -13.467 -0.203 -1.193 1.00 32.13 C ATOM 0 H ALA A 103 -11.394 -1.697 -1.317 1.00 41.22 H new ATOM 0 HA ALA A 103 -11.834 1.053 -1.758 1.00 13.02 H new ATOM 0 HB1 ALA A 103 -14.163 0.618 -1.023 1.00 32.13 H new ATOM 0 HB2 ALA A 103 -13.589 -0.578 -2.209 1.00 32.13 H new ATOM 0 HB3 ALA A 103 -13.671 -1.005 -0.484 1.00 32.13 H new ATOM 1606 N GLN A 104 -11.543 0.032 1.371 1.00 72.33 N ATOM 1607 CA GLN A 104 -11.257 0.422 2.746 1.00 62.44 C ATOM 1608 C GLN A 104 -9.953 1.231 2.829 1.00 42.10 C ATOM 1609 O GLN A 104 -9.428 1.440 3.922 1.00 73.44 O ATOM 1610 CB GLN A 104 -11.204 -0.832 3.638 1.00 72.14 C ATOM 1611 CG GLN A 104 -12.517 -1.629 3.638 1.00 33.21 C ATOM 1612 CD GLN A 104 -12.977 -2.058 5.024 1.00 34.33 C ATOM 1613 OE1 GLN A 104 -13.454 -1.253 5.810 1.00 40.03 O ATOM 1614 NE2 GLN A 104 -12.885 -3.341 5.320 1.00 43.52 N ATOM 0 H GLN A 104 -11.424 -0.968 1.209 1.00 72.33 H new ATOM 0 HA GLN A 104 -12.057 1.069 3.107 1.00 62.44 H new ATOM 0 HB2 GLN A 104 -10.394 -1.478 3.298 1.00 72.14 H new ATOM 0 HB3 GLN A 104 -10.967 -0.534 4.659 1.00 72.14 H new ATOM 0 HG2 GLN A 104 -13.298 -1.024 3.178 1.00 33.21 H new ATOM 0 HG3 GLN A 104 -12.393 -2.516 3.016 1.00 33.21 H new ATOM 0 HE21 GLN A 104 -12.483 -3.992 4.646 1.00 43.52 H new ATOM 0 HE22 GLN A 104 -13.216 -3.681 6.223 1.00 43.52 H new ATOM 1623 N VAL A 105 -9.412 1.674 1.690 1.00 4.23 N ATOM 1624 CA VAL A 105 -8.308 2.608 1.611 1.00 42.24 C ATOM 1625 C VAL A 105 -8.668 3.792 0.713 1.00 24.12 C ATOM 1626 O VAL A 105 -8.509 4.939 1.121 1.00 71.11 O ATOM 1627 CB VAL A 105 -7.034 1.881 1.135 1.00 2.01 C ATOM 1628 CG1 VAL A 105 -5.815 2.764 1.395 1.00 43.35 C ATOM 1629 CG2 VAL A 105 -6.793 0.512 1.790 1.00 33.00 C ATOM 0 H VAL A 105 -9.748 1.377 0.774 1.00 4.23 H new ATOM 0 HA VAL A 105 -8.106 3.011 2.603 1.00 42.24 H new ATOM 0 HB VAL A 105 -7.185 1.695 0.072 1.00 2.01 H new ATOM 0 HG11 VAL A 105 -4.915 2.250 1.058 1.00 43.35 H new ATOM 0 HG12 VAL A 105 -5.922 3.702 0.850 1.00 43.35 H new ATOM 0 HG13 VAL A 105 -5.737 2.971 2.462 1.00 43.35 H new ATOM 0 HG21 VAL A 105 -5.876 0.076 1.394 1.00 33.00 H new ATOM 0 HG22 VAL A 105 -6.700 0.636 2.869 1.00 33.00 H new ATOM 0 HG23 VAL A 105 -7.632 -0.148 1.572 1.00 33.00 H new ATOM 1639 N THR A 106 -9.126 3.552 -0.519 1.00 13.43 N ATOM 1640 CA THR A 106 -9.279 4.641 -1.484 1.00 33.51 C ATOM 1641 C THR A 106 -10.599 5.394 -1.367 1.00 11.32 C ATOM 1642 O THR A 106 -10.736 6.448 -1.990 1.00 40.40 O ATOM 1643 CB THR A 106 -9.018 4.175 -2.935 1.00 24.12 C ATOM 1644 OG1 THR A 106 -9.234 2.787 -3.163 1.00 13.32 O ATOM 1645 CG2 THR A 106 -7.586 4.539 -3.330 1.00 22.14 C ATOM 0 H THR A 106 -9.393 2.631 -0.866 1.00 13.43 H new ATOM 0 HA THR A 106 -8.505 5.362 -1.220 1.00 33.51 H new ATOM 0 HB THR A 106 -9.750 4.694 -3.554 1.00 24.12 H new ATOM 0 HG1 THR A 106 -8.391 2.301 -3.045 1.00 13.32 H new ATOM 0 HG21 THR A 106 -7.396 4.213 -4.353 1.00 22.14 H new ATOM 0 HG22 THR A 106 -7.454 5.619 -3.263 1.00 22.14 H new ATOM 0 HG23 THR A 106 -6.886 4.045 -2.656 1.00 22.14 H new