USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 29:sc= 0.797 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 42:sc= 0.0554 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 55 SER OG : rot 62:sc= 0.226 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -105:sc= 1.29 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 70 ASN : amide:sc= -6.19! C(o=-6.2!,f=-14!) USER MOD Single : A 73 GLN : amide:sc= -2.25 X(o=-2.3,f=-1.8!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 21:sc= -0.304 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -5.002 6.231 -14.979 1.00 44.33 N ATOM 115 CA ALA A 9 -5.177 7.654 -15.242 1.00 52.21 C ATOM 116 C ALA A 9 -5.356 7.919 -16.733 1.00 43.11 C ATOM 117 O ALA A 9 -4.954 8.967 -17.239 1.00 71.04 O ATOM 118 CB ALA A 9 -3.992 8.441 -14.702 1.00 61.24 C ATOM 0 HA ALA A 9 -6.081 7.984 -14.730 1.00 52.21 H new ATOM 0 HB1 ALA A 9 -4.137 9.502 -14.906 1.00 61.24 H new ATOM 0 HB2 ALA A 9 -3.912 8.286 -13.626 1.00 61.24 H new ATOM 0 HB3 ALA A 9 -3.077 8.100 -15.187 1.00 61.24 H new ATOM 124 N ARG A 10 -5.960 6.963 -17.431 1.00 63.02 N ATOM 125 CA ARG A 10 -6.189 7.093 -18.865 1.00 72.20 C ATOM 126 C ARG A 10 -7.660 6.867 -19.203 1.00 20.32 C ATOM 127 O ARG A 10 -8.312 7.729 -19.792 1.00 65.12 O ATOM 128 CB ARG A 10 -5.319 6.097 -19.635 1.00 12.34 C ATOM 129 CG ARG A 10 -3.946 6.640 -19.995 1.00 52.24 C ATOM 130 CD ARG A 10 -3.321 5.859 -21.141 1.00 34.24 C ATOM 131 NE ARG A 10 -3.961 6.157 -22.419 1.00 63.34 N ATOM 132 CZ ARG A 10 -3.827 5.399 -23.502 1.00 61.31 C ATOM 133 NH1 ARG A 10 -3.081 4.303 -23.460 1.00 52.35 N ATOM 134 NH2 ARG A 10 -4.440 5.736 -24.629 1.00 73.24 N ATOM 0 H ARG A 10 -6.300 6.090 -17.027 1.00 63.02 H new ATOM 0 HA ARG A 10 -5.917 8.106 -19.160 1.00 72.20 H new ATOM 0 HB2 ARG A 10 -5.198 5.194 -19.036 1.00 12.34 H new ATOM 0 HB3 ARG A 10 -5.837 5.806 -20.549 1.00 12.34 H new ATOM 0 HG2 ARG A 10 -4.030 7.691 -20.273 1.00 52.24 H new ATOM 0 HG3 ARG A 10 -3.294 6.592 -19.123 1.00 52.24 H new ATOM 0 HD2 ARG A 10 -2.259 6.095 -21.204 1.00 34.24 H new ATOM 0 HD3 ARG A 10 -3.399 4.791 -20.937 1.00 34.24 H new ATOM 0 HE ARG A 10 -4.543 6.992 -22.484 1.00 63.34 H new ATOM 0 HH11 ARG A 10 -2.609 4.040 -22.595 1.00 52.35 H new ATOM 0 HH12 ARG A 10 -2.980 3.723 -24.293 1.00 52.35 H new ATOM 0 HH21 ARG A 10 -5.015 6.578 -24.665 1.00 73.24 H new ATOM 0 HH22 ARG A 10 -4.336 5.153 -25.460 1.00 73.24 H new ATOM 148 N SER A 11 -8.176 5.701 -18.826 1.00 10.33 N ATOM 149 CA SER A 11 -9.568 5.360 -19.092 1.00 74.34 C ATOM 150 C SER A 11 -10.345 5.190 -17.790 1.00 60.52 C ATOM 151 O SER A 11 -9.760 4.988 -16.727 1.00 3.40 O ATOM 152 CB SER A 11 -9.651 4.076 -19.920 1.00 70.22 C ATOM 153 OG SER A 11 -8.470 3.882 -20.680 1.00 34.34 O ATOM 0 H SER A 11 -7.651 4.977 -18.336 1.00 10.33 H new ATOM 0 HA SER A 11 -10.015 6.178 -19.657 1.00 74.34 H new ATOM 0 HB2 SER A 11 -9.806 3.223 -19.259 1.00 70.22 H new ATOM 0 HB3 SER A 11 -10.512 4.124 -20.586 1.00 70.22 H new ATOM 0 HG SER A 11 -8.547 3.054 -21.199 1.00 34.34 H new ATOM 159 N GLY A 12 -11.669 5.272 -17.883 1.00 1.12 N ATOM 160 CA GLY A 12 -12.505 5.125 -16.706 1.00 53.40 C ATOM 161 C GLY A 12 -13.109 6.441 -16.256 1.00 73.04 C ATOM 162 O GLY A 12 -13.953 7.013 -16.946 1.00 25.10 O ATOM 0 H GLY A 12 -12.177 5.437 -18.752 1.00 1.12 H new ATOM 0 HA2 GLY A 12 -13.305 4.415 -16.918 1.00 53.40 H new ATOM 0 HA3 GLY A 12 -11.913 4.704 -15.894 1.00 53.40 H new ATOM 166 N GLY A 13 -12.678 6.922 -15.094 1.00 50.23 N ATOM 167 CA GLY A 13 -13.194 8.174 -14.572 1.00 50.24 C ATOM 168 C GLY A 13 -12.091 9.131 -14.165 1.00 52.13 C ATOM 169 O GLY A 13 -10.937 8.731 -14.009 1.00 34.32 O ATOM 0 H GLY A 13 -11.981 6.467 -14.505 1.00 50.23 H new ATOM 0 HA2 GLY A 13 -13.822 8.648 -15.327 1.00 50.24 H new ATOM 0 HA3 GLY A 13 -13.830 7.970 -13.711 1.00 50.24 H new ATOM 173 N LYS A 14 -12.445 10.400 -13.995 1.00 4.54 N ATOM 174 CA LYS A 14 -11.477 11.419 -13.604 1.00 21.32 C ATOM 175 C LYS A 14 -12.115 12.448 -12.676 1.00 62.02 C ATOM 176 O LYS A 14 -13.224 12.920 -12.926 1.00 1.42 O ATOM 177 CB LYS A 14 -10.910 12.115 -14.843 1.00 11.31 C ATOM 178 CG LYS A 14 -9.808 11.329 -15.532 1.00 1.33 C ATOM 179 CD LYS A 14 -9.412 11.965 -16.854 1.00 1.54 C ATOM 180 CE LYS A 14 -7.903 12.119 -16.968 1.00 40.03 C ATOM 181 NZ LYS A 14 -7.445 12.059 -18.384 1.00 74.31 N ATOM 0 H LYS A 14 -13.395 10.748 -14.122 1.00 4.54 H new ATOM 0 HA LYS A 14 -10.665 10.927 -13.068 1.00 21.32 H new ATOM 0 HB2 LYS A 14 -11.718 12.290 -15.553 1.00 11.31 H new ATOM 0 HB3 LYS A 14 -10.522 13.092 -14.555 1.00 11.31 H new ATOM 0 HG2 LYS A 14 -8.937 11.273 -14.879 1.00 1.33 H new ATOM 0 HG3 LYS A 14 -10.143 10.306 -15.705 1.00 1.33 H new ATOM 0 HD2 LYS A 14 -9.780 11.353 -17.678 1.00 1.54 H new ATOM 0 HD3 LYS A 14 -9.887 12.942 -16.946 1.00 1.54 H new ATOM 0 HE2 LYS A 14 -7.601 13.070 -16.528 1.00 40.03 H new ATOM 0 HE3 LYS A 14 -7.413 11.332 -16.394 1.00 40.03 H new ATOM 0 HZ1 LYS A 14 -6.411 12.168 -18.419 1.00 74.31 H new ATOM 0 HZ2 LYS A 14 -7.711 11.142 -18.796 1.00 74.31 H new ATOM 0 HZ3 LYS A 14 -7.892 12.825 -18.926 1.00 74.31 H new ATOM 195 N VAL A 15 -11.406 12.793 -11.605 1.00 74.55 N ATOM 196 CA VAL A 15 -11.902 13.768 -10.642 1.00 74.00 C ATOM 197 C VAL A 15 -10.798 14.728 -10.214 1.00 52.11 C ATOM 198 O VAL A 15 -9.648 14.328 -10.031 1.00 41.24 O ATOM 199 CB VAL A 15 -12.481 13.078 -9.392 1.00 42.32 C ATOM 200 CG1 VAL A 15 -13.120 14.101 -8.465 1.00 52.15 C ATOM 201 CG2 VAL A 15 -13.485 12.008 -9.792 1.00 22.53 C ATOM 0 H VAL A 15 -10.486 12.411 -11.383 1.00 74.55 H new ATOM 0 HA VAL A 15 -12.694 14.328 -11.138 1.00 74.00 H new ATOM 0 HB VAL A 15 -11.665 12.595 -8.854 1.00 42.32 H new ATOM 0 HG11 VAL A 15 -13.523 13.595 -7.588 1.00 52.15 H new ATOM 0 HG12 VAL A 15 -12.370 14.827 -8.152 1.00 52.15 H new ATOM 0 HG13 VAL A 15 -13.925 14.615 -8.990 1.00 52.15 H new ATOM 0 HG21 VAL A 15 -13.884 11.531 -8.897 1.00 22.53 H new ATOM 0 HG22 VAL A 15 -14.300 12.465 -10.353 1.00 22.53 H new ATOM 0 HG23 VAL A 15 -12.992 11.260 -10.413 1.00 22.53 H new ATOM 211 N THR A 16 -11.155 15.999 -10.055 1.00 33.23 N ATOM 212 CA THR A 16 -10.195 17.017 -9.649 1.00 12.33 C ATOM 213 C THR A 16 -10.473 17.500 -8.230 1.00 22.04 C ATOM 214 O THR A 16 -11.515 18.096 -7.959 1.00 14.13 O ATOM 215 CB THR A 16 -10.220 18.226 -10.604 1.00 32.52 C ATOM 216 OG1 THR A 16 -11.514 18.840 -10.583 1.00 25.20 O ATOM 217 CG2 THR A 16 -9.878 17.800 -12.024 1.00 10.13 C ATOM 0 H THR A 16 -12.102 16.347 -10.201 1.00 33.23 H new ATOM 0 HA THR A 16 -9.209 16.554 -9.686 1.00 12.33 H new ATOM 0 HB THR A 16 -9.472 18.944 -10.267 1.00 32.52 H new ATOM 0 HG1 THR A 16 -11.930 18.697 -9.707 1.00 25.20 H new ATOM 0 HG21 THR A 16 -9.902 18.670 -12.681 1.00 10.13 H new ATOM 0 HG22 THR A 16 -8.881 17.359 -12.042 1.00 10.13 H new ATOM 0 HG23 THR A 16 -10.606 17.065 -12.369 1.00 10.13 H new ATOM 225 N PHE A 17 -9.533 17.240 -7.327 1.00 32.54 N ATOM 226 CA PHE A 17 -9.677 17.648 -5.934 1.00 72.40 C ATOM 227 C PHE A 17 -8.866 18.908 -5.650 1.00 50.51 C ATOM 228 O PHE A 17 -7.681 18.983 -5.974 1.00 42.05 O ATOM 229 CB PHE A 17 -9.231 16.520 -5.001 1.00 71.22 C ATOM 230 CG PHE A 17 -10.195 16.252 -3.881 1.00 2.13 C ATOM 231 CD1 PHE A 17 -9.769 16.274 -2.563 1.00 4.35 C ATOM 232 CD2 PHE A 17 -11.527 15.978 -4.146 1.00 21.33 C ATOM 233 CE1 PHE A 17 -10.653 16.029 -1.529 1.00 21.21 C ATOM 234 CE2 PHE A 17 -12.416 15.732 -3.116 1.00 62.13 C ATOM 235 CZ PHE A 17 -11.978 15.756 -1.806 1.00 51.25 C ATOM 0 H PHE A 17 -8.664 16.749 -7.535 1.00 32.54 H new ATOM 0 HA PHE A 17 -10.729 17.866 -5.752 1.00 72.40 H new ATOM 0 HB2 PHE A 17 -9.100 15.608 -5.583 1.00 71.22 H new ATOM 0 HB3 PHE A 17 -8.258 16.771 -4.580 1.00 71.22 H new ATOM 0 HD1 PHE A 17 -8.733 16.485 -2.341 1.00 4.35 H new ATOM 0 HD2 PHE A 17 -11.875 15.956 -5.168 1.00 21.33 H new ATOM 0 HE1 PHE A 17 -10.308 16.051 -0.506 1.00 21.21 H new ATOM 0 HE2 PHE A 17 -13.452 15.521 -3.335 1.00 62.13 H new ATOM 0 HZ PHE A 17 -12.670 15.562 -1.000 1.00 51.25 H new ATOM 245 N ARG A 18 -9.514 19.897 -5.043 1.00 1.41 N ATOM 246 CA ARG A 18 -8.854 21.156 -4.717 1.00 33.13 C ATOM 247 C ARG A 18 -8.642 21.284 -3.211 1.00 41.11 C ATOM 248 O ARG A 18 -9.585 21.538 -2.461 1.00 4.51 O ATOM 249 CB ARG A 18 -9.681 22.337 -5.228 1.00 41.13 C ATOM 250 CG ARG A 18 -10.114 22.195 -6.678 1.00 72.32 C ATOM 251 CD ARG A 18 -10.935 23.391 -7.134 1.00 74.42 C ATOM 252 NE ARG A 18 -11.466 23.208 -8.483 1.00 1.14 N ATOM 253 CZ ARG A 18 -12.336 24.037 -9.048 1.00 75.22 C ATOM 254 NH1 ARG A 18 -12.772 25.100 -8.386 1.00 22.53 N ATOM 255 NH2 ARG A 18 -12.773 23.803 -10.279 1.00 40.44 N ATOM 0 H ARG A 18 -10.495 19.851 -4.767 1.00 1.41 H new ATOM 0 HA ARG A 18 -7.880 21.164 -5.206 1.00 33.13 H new ATOM 0 HB2 ARG A 18 -10.567 22.447 -4.602 1.00 41.13 H new ATOM 0 HB3 ARG A 18 -9.098 23.252 -5.120 1.00 41.13 H new ATOM 0 HG2 ARG A 18 -9.234 22.093 -7.313 1.00 72.32 H new ATOM 0 HG3 ARG A 18 -10.700 21.284 -6.796 1.00 72.32 H new ATOM 0 HD2 ARG A 18 -11.759 23.551 -6.439 1.00 74.42 H new ATOM 0 HD3 ARG A 18 -10.316 24.288 -7.107 1.00 74.42 H new ATOM 0 HE ARG A 18 -11.151 22.400 -9.020 1.00 1.14 H new ATOM 0 HH11 ARG A 18 -12.439 25.283 -7.439 1.00 22.53 H new ATOM 0 HH12 ARG A 18 -13.440 25.734 -8.823 1.00 22.53 H new ATOM 0 HH21 ARG A 18 -12.441 22.986 -10.791 1.00 40.44 H new ATOM 0 HH22 ARG A 18 -13.441 24.440 -10.713 1.00 40.44 H new ATOM 269 N ILE A 19 -7.399 21.106 -2.777 1.00 22.20 N ATOM 270 CA ILE A 19 -7.063 21.202 -1.362 1.00 13.12 C ATOM 271 C ILE A 19 -6.214 22.437 -1.081 1.00 63.11 C ATOM 272 O ILE A 19 -5.183 22.652 -1.720 1.00 30.33 O ATOM 273 CB ILE A 19 -6.307 19.951 -0.876 1.00 52.31 C ATOM 274 CG1 ILE A 19 -7.036 18.682 -1.324 1.00 4.52 C ATOM 275 CG2 ILE A 19 -6.158 19.977 0.638 1.00 74.02 C ATOM 276 CD1 ILE A 19 -6.314 17.407 -0.949 1.00 1.13 C ATOM 0 H ILE A 19 -6.608 20.894 -3.385 1.00 22.20 H new ATOM 0 HA ILE A 19 -8.005 21.280 -0.819 1.00 13.12 H new ATOM 0 HB ILE A 19 -5.311 19.951 -1.319 1.00 52.31 H new ATOM 0 HG12 ILE A 19 -8.032 18.670 -0.882 1.00 4.52 H new ATOM 0 HG13 ILE A 19 -7.168 18.711 -2.406 1.00 4.52 H new ATOM 0 HG21 ILE A 19 -5.622 19.087 0.966 1.00 74.02 H new ATOM 0 HG22 ILE A 19 -5.601 20.866 0.934 1.00 74.02 H new ATOM 0 HG23 ILE A 19 -7.145 19.997 1.100 1.00 74.02 H new ATOM 0 HD11 ILE A 19 -6.887 16.548 -1.298 1.00 1.13 H new ATOM 0 HD12 ILE A 19 -5.328 17.397 -1.413 1.00 1.13 H new ATOM 0 HD13 ILE A 19 -6.206 17.355 0.134 1.00 1.13 H new ATOM 288 N ILE A 20 -6.652 23.244 -0.121 1.00 50.10 N ATOM 289 CA ILE A 20 -5.930 24.456 0.246 1.00 31.14 C ATOM 290 C ILE A 20 -5.355 24.347 1.654 1.00 4.44 C ATOM 291 O ILE A 20 -6.092 24.186 2.628 1.00 51.13 O ATOM 292 CB ILE A 20 -6.838 25.697 0.169 1.00 11.43 C ATOM 293 CG1 ILE A 20 -7.405 25.855 -1.243 1.00 63.13 C ATOM 294 CG2 ILE A 20 -6.067 26.944 0.579 1.00 73.44 C ATOM 295 CD1 ILE A 20 -8.325 27.046 -1.396 1.00 22.20 C ATOM 0 H ILE A 20 -7.503 23.081 0.417 1.00 50.10 H new ATOM 0 HA ILE A 20 -5.115 24.568 -0.469 1.00 31.14 H new ATOM 0 HB ILE A 20 -7.670 25.564 0.861 1.00 11.43 H new ATOM 0 HG12 ILE A 20 -6.580 25.951 -1.948 1.00 63.13 H new ATOM 0 HG13 ILE A 20 -7.949 24.949 -1.511 1.00 63.13 H new ATOM 0 HG21 ILE A 20 -6.722 27.813 0.519 1.00 73.44 H new ATOM 0 HG22 ILE A 20 -5.708 26.830 1.602 1.00 73.44 H new ATOM 0 HG23 ILE A 20 -5.218 27.083 -0.090 1.00 73.44 H new ATOM 0 HD11 ILE A 20 -8.689 27.095 -2.422 1.00 22.20 H new ATOM 0 HD12 ILE A 20 -9.170 26.943 -0.716 1.00 22.20 H new ATOM 0 HD13 ILE A 20 -7.779 27.960 -1.160 1.00 22.20 H new ATOM 307 N LEU A 21 -4.033 24.439 1.756 1.00 73.40 N ATOM 308 CA LEU A 21 -3.357 24.353 3.046 1.00 74.21 C ATOM 309 C LEU A 21 -3.025 25.742 3.580 1.00 42.31 C ATOM 310 O LEU A 21 -2.945 26.709 2.821 1.00 62.11 O ATOM 311 CB LEU A 21 -2.079 23.523 2.920 1.00 64.13 C ATOM 312 CG LEU A 21 -0.943 24.158 2.117 1.00 42.12 C ATOM 313 CD1 LEU A 21 0.407 23.698 2.646 1.00 51.15 C ATOM 314 CD2 LEU A 21 -1.081 23.822 0.639 1.00 15.11 C ATOM 0 H LEU A 21 -3.408 24.573 0.961 1.00 73.40 H new ATOM 0 HA LEU A 21 -4.031 23.865 3.750 1.00 74.21 H new ATOM 0 HB2 LEU A 21 -1.711 23.305 3.923 1.00 64.13 H new ATOM 0 HB3 LEU A 21 -2.333 22.568 2.459 1.00 64.13 H new ATOM 0 HG LEU A 21 -1.005 25.240 2.230 1.00 42.12 H new ATOM 0 HD11 LEU A 21 1.203 24.160 2.062 1.00 51.15 H new ATOM 0 HD12 LEU A 21 0.507 23.990 3.691 1.00 51.15 H new ATOM 0 HD13 LEU A 21 0.480 22.614 2.564 1.00 51.15 H new ATOM 0 HD21 LEU A 21 -0.264 24.282 0.083 1.00 15.11 H new ATOM 0 HD22 LEU A 21 -1.046 22.741 0.507 1.00 15.11 H new ATOM 0 HD23 LEU A 21 -2.032 24.202 0.267 1.00 15.11 H new ATOM 326 N THR A 22 -2.829 25.836 4.892 1.00 74.43 N ATOM 327 CA THR A 22 -2.504 27.106 5.528 1.00 52.04 C ATOM 328 C THR A 22 -0.998 27.266 5.698 1.00 62.11 C ATOM 329 O THR A 22 -0.510 28.353 6.008 1.00 75.05 O ATOM 330 CB THR A 22 -3.182 27.234 6.905 1.00 43.50 C ATOM 331 OG1 THR A 22 -4.062 26.127 7.123 1.00 33.40 O ATOM 332 CG2 THR A 22 -3.962 28.536 7.005 1.00 50.51 C ATOM 0 H THR A 22 -2.890 25.046 5.535 1.00 74.43 H new ATOM 0 HA THR A 22 -2.878 27.893 4.873 1.00 52.04 H new ATOM 0 HB THR A 22 -2.405 27.235 7.669 1.00 43.50 H new ATOM 0 HG1 THR A 22 -4.488 26.215 8.001 1.00 33.40 H new ATOM 0 HG21 THR A 22 -4.432 28.604 7.986 1.00 50.51 H new ATOM 0 HG22 THR A 22 -3.283 29.378 6.868 1.00 50.51 H new ATOM 0 HG23 THR A 22 -4.730 28.560 6.232 1.00 50.51 H new ATOM 340 N SER A 23 -0.265 26.176 5.493 1.00 2.11 N ATOM 341 CA SER A 23 1.187 26.195 5.627 1.00 1.23 C ATOM 342 C SER A 23 1.841 26.771 4.375 1.00 52.50 C ATOM 343 O SER A 23 3.012 27.148 4.391 1.00 1.24 O ATOM 344 CB SER A 23 1.715 24.783 5.888 1.00 11.11 C ATOM 345 OG SER A 23 2.699 24.787 6.908 1.00 73.31 O ATOM 0 H SER A 23 -0.653 25.269 5.234 1.00 2.11 H new ATOM 0 HA SER A 23 1.440 26.832 6.474 1.00 1.23 H new ATOM 0 HB2 SER A 23 0.891 24.131 6.176 1.00 11.11 H new ATOM 0 HB3 SER A 23 2.139 24.375 4.971 1.00 11.11 H new ATOM 0 HG SER A 23 3.019 23.873 7.057 1.00 73.31 H new ATOM 351 N GLU A 24 1.074 26.836 3.291 1.00 51.10 N ATOM 352 CA GLU A 24 1.579 27.366 2.030 1.00 74.55 C ATOM 353 C GLU A 24 0.828 28.633 1.632 1.00 1.55 C ATOM 354 O GLU A 24 0.267 28.719 0.540 1.00 45.23 O ATOM 355 CB GLU A 24 1.451 26.316 0.923 1.00 12.40 C ATOM 356 CG GLU A 24 2.146 26.708 -0.370 1.00 61.11 C ATOM 357 CD GLU A 24 3.480 26.010 -0.549 1.00 44.14 C ATOM 358 OE1 GLU A 24 4.524 26.661 -0.329 1.00 74.51 O ATOM 359 OE2 GLU A 24 3.482 24.815 -0.910 1.00 73.31 O ATOM 0 H GLU A 24 0.102 26.529 3.261 1.00 51.10 H new ATOM 0 HA GLU A 24 2.631 27.616 2.166 1.00 74.55 H new ATOM 0 HB2 GLU A 24 1.867 25.373 1.278 1.00 12.40 H new ATOM 0 HB3 GLU A 24 0.394 26.142 0.719 1.00 12.40 H new ATOM 0 HG2 GLU A 24 1.499 26.468 -1.213 1.00 61.11 H new ATOM 0 HG3 GLU A 24 2.300 27.787 -0.383 1.00 61.11 H new ATOM 366 N ARG A 25 0.822 29.615 2.528 1.00 13.32 N ATOM 367 CA ARG A 25 0.139 30.878 2.273 1.00 61.11 C ATOM 368 C ARG A 25 0.790 31.622 1.111 1.00 55.44 C ATOM 369 O ARG A 25 0.188 32.521 0.522 1.00 64.34 O ATOM 370 CB ARG A 25 0.156 31.754 3.527 1.00 70.01 C ATOM 371 CG ARG A 25 -0.960 32.785 3.565 1.00 50.14 C ATOM 372 CD ARG A 25 -0.520 34.056 4.274 1.00 14.14 C ATOM 373 NE ARG A 25 -1.580 34.609 5.114 1.00 70.22 N ATOM 374 CZ ARG A 25 -1.491 35.780 5.734 1.00 24.13 C ATOM 375 NH1 ARG A 25 -0.396 36.518 5.610 1.00 72.11 N ATOM 376 NH2 ARG A 25 -2.498 36.215 6.481 1.00 45.22 N ATOM 0 H ARG A 25 1.282 29.560 3.437 1.00 13.32 H new ATOM 0 HA ARG A 25 -0.895 30.656 2.007 1.00 61.11 H new ATOM 0 HB2 ARG A 25 0.079 31.115 4.407 1.00 70.01 H new ATOM 0 HB3 ARG A 25 1.116 32.267 3.588 1.00 70.01 H new ATOM 0 HG2 ARG A 25 -1.271 33.024 2.548 1.00 50.14 H new ATOM 0 HG3 ARG A 25 -1.828 32.365 4.074 1.00 50.14 H new ATOM 0 HD2 ARG A 25 0.356 33.844 4.888 1.00 14.14 H new ATOM 0 HD3 ARG A 25 -0.219 34.798 3.534 1.00 14.14 H new ATOM 0 HE ARG A 25 -2.435 34.066 5.231 1.00 70.22 H new ATOM 0 HH11 ARG A 25 0.380 36.187 5.037 1.00 72.11 H new ATOM 0 HH12 ARG A 25 -0.330 37.417 6.087 1.00 72.11 H new ATOM 0 HH21 ARG A 25 -3.341 35.650 6.579 1.00 45.22 H new ATOM 0 HH22 ARG A 25 -2.429 37.115 6.957 1.00 45.22 H new ATOM 390 N SER A 26 2.021 31.243 0.787 1.00 64.44 N ATOM 391 CA SER A 26 2.755 31.877 -0.302 1.00 64.22 C ATOM 392 C SER A 26 1.991 31.754 -1.617 1.00 32.12 C ATOM 393 O SER A 26 2.045 32.645 -2.463 1.00 52.53 O ATOM 394 CB SER A 26 4.142 31.247 -0.445 1.00 45.41 C ATOM 395 OG SER A 26 5.117 31.996 0.260 1.00 23.03 O ATOM 0 H SER A 26 2.532 30.500 1.263 1.00 64.44 H new ATOM 0 HA SER A 26 2.866 32.935 -0.064 1.00 64.22 H new ATOM 0 HB2 SER A 26 4.121 30.225 -0.068 1.00 45.41 H new ATOM 0 HB3 SER A 26 4.413 31.192 -1.499 1.00 45.41 H new ATOM 0 HG SER A 26 5.994 31.572 0.155 1.00 23.03 H new ATOM 401 N GLN A 27 1.280 30.643 -1.779 1.00 31.32 N ATOM 402 CA GLN A 27 0.505 30.402 -2.990 1.00 52.22 C ATOM 403 C GLN A 27 -0.318 29.124 -2.865 1.00 50.23 C ATOM 404 O GLN A 27 -0.068 28.127 -3.543 1.00 1.12 O ATOM 405 CB GLN A 27 1.431 30.310 -4.204 1.00 23.21 C ATOM 406 CG GLN A 27 0.694 30.114 -5.519 1.00 11.33 C ATOM 407 CD GLN A 27 1.428 30.725 -6.696 1.00 63.31 C ATOM 408 OE1 GLN A 27 1.428 31.942 -6.879 1.00 41.41 O ATOM 409 NE2 GLN A 27 2.060 29.880 -7.503 1.00 21.14 N ATOM 0 H GLN A 27 1.225 29.896 -1.087 1.00 31.32 H new ATOM 0 HA GLN A 27 -0.178 31.240 -3.126 1.00 52.22 H new ATOM 0 HB2 GLN A 27 2.029 31.220 -4.264 1.00 23.21 H new ATOM 0 HB3 GLN A 27 2.125 29.482 -4.059 1.00 23.21 H new ATOM 0 HG2 GLN A 27 0.554 29.048 -5.697 1.00 11.33 H new ATOM 0 HG3 GLN A 27 -0.299 30.558 -5.444 1.00 11.33 H new ATOM 0 HE21 GLN A 27 2.034 28.878 -7.314 1.00 21.14 H new ATOM 0 HE22 GLN A 27 2.571 30.233 -8.312 1.00 21.14 H new ATOM 418 N PRO A 28 -1.324 29.152 -1.978 1.00 63.32 N ATOM 419 CA PRO A 28 -2.204 28.003 -1.744 1.00 10.33 C ATOM 420 C PRO A 28 -3.125 27.728 -2.927 1.00 73.31 C ATOM 421 O PRO A 28 -4.099 28.447 -3.149 1.00 52.43 O ATOM 422 CB PRO A 28 -3.019 28.425 -0.519 1.00 0.44 C ATOM 423 CG PRO A 28 -3.008 29.915 -0.551 1.00 60.31 C ATOM 424 CD PRO A 28 -1.679 30.306 -1.136 1.00 53.43 C ATOM 0 HA PRO A 28 -1.641 27.081 -1.602 1.00 10.33 H new ATOM 0 HB2 PRO A 28 -4.036 28.036 -0.567 1.00 0.44 H new ATOM 0 HB3 PRO A 28 -2.575 28.046 0.401 1.00 0.44 H new ATOM 0 HG2 PRO A 28 -3.829 30.299 -1.157 1.00 60.31 H new ATOM 0 HG3 PRO A 28 -3.130 30.328 0.450 1.00 60.31 H new ATOM 0 HD2 PRO A 28 -1.752 31.223 -1.721 1.00 53.43 H new ATOM 0 HD3 PRO A 28 -0.934 30.481 -0.360 1.00 53.43 H new ATOM 432 N PHE A 29 -2.812 26.681 -3.684 1.00 43.51 N ATOM 433 CA PHE A 29 -3.612 26.311 -4.846 1.00 4.22 C ATOM 434 C PHE A 29 -3.110 25.007 -5.458 1.00 65.05 C ATOM 435 O PHE A 29 -2.845 24.934 -6.659 1.00 32.13 O ATOM 436 CB PHE A 29 -3.576 27.427 -5.893 1.00 22.44 C ATOM 437 CG PHE A 29 -4.735 27.390 -6.847 1.00 11.41 C ATOM 438 CD1 PHE A 29 -4.528 27.195 -8.203 1.00 4.22 C ATOM 439 CD2 PHE A 29 -6.032 27.552 -6.388 1.00 54.30 C ATOM 440 CE1 PHE A 29 -5.592 27.161 -9.084 1.00 12.13 C ATOM 441 CE2 PHE A 29 -7.101 27.519 -7.264 1.00 21.40 C ATOM 442 CZ PHE A 29 -6.881 27.324 -8.614 1.00 5.04 C ATOM 0 H PHE A 29 -2.010 26.074 -3.513 1.00 43.51 H new ATOM 0 HA PHE A 29 -4.641 26.165 -4.517 1.00 4.22 H new ATOM 0 HB2 PHE A 29 -3.565 28.391 -5.385 1.00 22.44 H new ATOM 0 HB3 PHE A 29 -2.647 27.354 -6.459 1.00 22.44 H new ATOM 0 HD1 PHE A 29 -3.522 27.068 -8.576 1.00 4.22 H new ATOM 0 HD2 PHE A 29 -6.210 27.706 -5.334 1.00 54.30 H new ATOM 0 HE1 PHE A 29 -5.416 27.007 -10.138 1.00 12.13 H new ATOM 0 HE2 PHE A 29 -8.107 27.646 -6.893 1.00 21.40 H new ATOM 0 HZ PHE A 29 -7.715 27.299 -9.300 1.00 5.04 H new ATOM 452 N ARG A 30 -2.980 23.980 -4.625 1.00 32.00 N ATOM 453 CA ARG A 30 -2.508 22.679 -5.083 1.00 73.12 C ATOM 454 C ARG A 30 -3.681 21.770 -5.439 1.00 21.42 C ATOM 455 O ARG A 30 -4.485 21.411 -4.579 1.00 13.15 O ATOM 456 CB ARG A 30 -1.645 22.018 -4.007 1.00 65.04 C ATOM 457 CG ARG A 30 -0.156 22.275 -4.178 1.00 53.22 C ATOM 458 CD ARG A 30 0.382 21.616 -5.439 1.00 11.34 C ATOM 459 NE ARG A 30 1.842 21.582 -5.458 1.00 32.03 N ATOM 460 CZ ARG A 30 2.600 22.659 -5.630 1.00 60.14 C ATOM 461 NH1 ARG A 30 2.039 23.849 -5.798 1.00 23.44 N ATOM 462 NH2 ARG A 30 3.922 22.547 -5.636 1.00 22.04 N ATOM 0 H ARG A 30 -3.195 24.024 -3.629 1.00 32.00 H new ATOM 0 HA ARG A 30 -1.905 22.833 -5.978 1.00 73.12 H new ATOM 0 HB2 ARG A 30 -1.958 22.381 -3.028 1.00 65.04 H new ATOM 0 HB3 ARG A 30 -1.823 20.943 -4.020 1.00 65.04 H new ATOM 0 HG2 ARG A 30 0.026 23.349 -4.221 1.00 53.22 H new ATOM 0 HG3 ARG A 30 0.382 21.895 -3.310 1.00 53.22 H new ATOM 0 HD2 ARG A 30 -0.005 20.600 -5.510 1.00 11.34 H new ATOM 0 HD3 ARG A 30 0.020 22.157 -6.313 1.00 11.34 H new ATOM 0 HE ARG A 30 2.305 20.682 -5.332 1.00 32.03 H new ATOM 0 HH11 ARG A 30 1.023 23.939 -5.795 1.00 23.44 H new ATOM 0 HH12 ARG A 30 2.624 24.674 -5.930 1.00 23.44 H new ATOM 0 HH21 ARG A 30 4.357 21.633 -5.508 1.00 22.04 H new ATOM 0 HH22 ARG A 30 4.503 23.375 -5.768 1.00 22.04 H new ATOM 476 N VAL A 31 -3.772 21.400 -6.713 1.00 1.54 N ATOM 477 CA VAL A 31 -4.845 20.533 -7.182 1.00 74.23 C ATOM 478 C VAL A 31 -4.320 19.142 -7.520 1.00 30.04 C ATOM 479 O VAL A 31 -3.264 18.999 -8.137 1.00 54.34 O ATOM 480 CB VAL A 31 -5.541 21.122 -8.424 1.00 3.11 C ATOM 481 CG1 VAL A 31 -4.568 21.210 -9.590 1.00 5.24 C ATOM 482 CG2 VAL A 31 -6.759 20.290 -8.797 1.00 45.40 C ATOM 0 H VAL A 31 -3.115 21.688 -7.438 1.00 1.54 H new ATOM 0 HA VAL A 31 -5.568 20.458 -6.370 1.00 74.23 H new ATOM 0 HB VAL A 31 -5.878 22.131 -8.186 1.00 3.11 H new ATOM 0 HG11 VAL A 31 -5.077 21.628 -10.458 1.00 5.24 H new ATOM 0 HG12 VAL A 31 -3.730 21.851 -9.317 1.00 5.24 H new ATOM 0 HG13 VAL A 31 -4.198 20.213 -9.831 1.00 5.24 H new ATOM 0 HG21 VAL A 31 -7.238 20.720 -9.676 1.00 45.40 H new ATOM 0 HG22 VAL A 31 -6.448 19.268 -9.017 1.00 45.40 H new ATOM 0 HG23 VAL A 31 -7.464 20.284 -7.966 1.00 45.40 H new ATOM 492 N ILE A 32 -5.063 18.120 -7.111 1.00 35.55 N ATOM 493 CA ILE A 32 -4.673 16.739 -7.371 1.00 12.50 C ATOM 494 C ILE A 32 -5.654 16.061 -8.321 1.00 31.20 C ATOM 495 O ILE A 32 -6.867 16.106 -8.114 1.00 63.11 O ATOM 496 CB ILE A 32 -4.589 15.923 -6.068 1.00 73.30 C ATOM 497 CG1 ILE A 32 -5.841 16.149 -5.217 1.00 62.32 C ATOM 498 CG2 ILE A 32 -3.338 16.296 -5.288 1.00 45.43 C ATOM 499 CD1 ILE A 32 -5.930 15.231 -4.018 1.00 73.33 C ATOM 0 H ILE A 32 -5.939 18.221 -6.598 1.00 35.55 H new ATOM 0 HA ILE A 32 -3.686 16.771 -7.833 1.00 12.50 H new ATOM 0 HB ILE A 32 -4.532 14.865 -6.323 1.00 73.30 H new ATOM 0 HG12 ILE A 32 -5.856 17.184 -4.874 1.00 62.32 H new ATOM 0 HG13 ILE A 32 -6.724 16.007 -5.840 1.00 62.32 H new ATOM 0 HG21 ILE A 32 -3.294 15.710 -4.370 1.00 45.43 H new ATOM 0 HG22 ILE A 32 -2.456 16.088 -5.894 1.00 45.43 H new ATOM 0 HG23 ILE A 32 -3.366 17.357 -5.040 1.00 45.43 H new ATOM 0 HD11 ILE A 32 -6.842 15.447 -3.461 1.00 73.33 H new ATOM 0 HD12 ILE A 32 -5.947 14.194 -4.354 1.00 73.33 H new ATOM 0 HD13 ILE A 32 -5.065 15.389 -3.374 1.00 73.33 H new ATOM 511 N SER A 33 -5.121 15.430 -9.363 1.00 3.45 N ATOM 512 CA SER A 33 -5.949 14.743 -10.346 1.00 50.13 C ATOM 513 C SER A 33 -5.896 13.232 -10.140 1.00 54.34 C ATOM 514 O SER A 33 -4.828 12.624 -10.201 1.00 24.23 O ATOM 515 CB SER A 33 -5.491 15.092 -11.764 1.00 4.45 C ATOM 516 OG SER A 33 -4.080 15.013 -11.877 1.00 74.15 O ATOM 0 H SER A 33 -4.119 15.381 -9.548 1.00 3.45 H new ATOM 0 HA SER A 33 -6.979 15.075 -10.212 1.00 50.13 H new ATOM 0 HB2 SER A 33 -5.955 14.411 -12.478 1.00 4.45 H new ATOM 0 HB3 SER A 33 -5.824 16.098 -12.020 1.00 4.45 H new ATOM 0 HG SER A 33 -3.758 14.218 -11.403 1.00 74.15 H new ATOM 522 N ILE A 34 -7.058 12.634 -9.897 1.00 65.02 N ATOM 523 CA ILE A 34 -7.145 11.195 -9.683 1.00 64.24 C ATOM 524 C ILE A 34 -8.494 10.652 -10.142 1.00 22.44 C ATOM 525 O ILE A 34 -9.507 11.348 -10.085 1.00 4.41 O ATOM 526 CB ILE A 34 -6.934 10.832 -8.201 1.00 54.04 C ATOM 527 CG1 ILE A 34 -8.055 11.425 -7.345 1.00 32.42 C ATOM 528 CG2 ILE A 34 -5.577 11.325 -7.723 1.00 12.52 C ATOM 529 CD1 ILE A 34 -7.926 11.101 -5.873 1.00 32.12 C ATOM 0 H ILE A 34 -7.951 13.124 -9.844 1.00 65.02 H new ATOM 0 HA ILE A 34 -6.352 10.739 -10.276 1.00 64.24 H new ATOM 0 HB ILE A 34 -6.960 9.747 -8.100 1.00 54.04 H new ATOM 0 HG12 ILE A 34 -8.064 12.508 -7.471 1.00 32.42 H new ATOM 0 HG13 ILE A 34 -9.014 11.054 -7.708 1.00 32.42 H new ATOM 0 HG21 ILE A 34 -5.443 11.061 -6.674 1.00 12.52 H new ATOM 0 HG22 ILE A 34 -4.791 10.860 -8.318 1.00 12.52 H new ATOM 0 HG23 ILE A 34 -5.524 12.408 -7.834 1.00 12.52 H new ATOM 0 HD11 ILE A 34 -8.754 11.553 -5.327 1.00 32.12 H new ATOM 0 HD12 ILE A 34 -7.948 10.020 -5.735 1.00 32.12 H new ATOM 0 HD13 ILE A 34 -6.983 11.496 -5.495 1.00 32.12 H new ATOM 541 N ALA A 35 -8.500 9.402 -10.594 1.00 43.02 N ATOM 542 CA ALA A 35 -9.725 8.763 -11.058 1.00 41.55 C ATOM 543 C ALA A 35 -10.732 8.618 -9.923 1.00 74.21 C ATOM 544 O ALA A 35 -10.355 8.500 -8.758 1.00 24.20 O ATOM 545 CB ALA A 35 -9.414 7.405 -11.668 1.00 64.40 C ATOM 0 H ALA A 35 -7.670 8.812 -10.649 1.00 43.02 H new ATOM 0 HA ALA A 35 -10.170 9.399 -11.824 1.00 41.55 H new ATOM 0 HB1 ALA A 35 -10.338 6.940 -12.010 1.00 64.40 H new ATOM 0 HB2 ALA A 35 -8.737 7.532 -12.513 1.00 64.40 H new ATOM 0 HB3 ALA A 35 -8.943 6.769 -10.919 1.00 64.40 H new ATOM 551 N GLU A 36 -12.015 8.628 -10.271 1.00 73.34 N ATOM 552 CA GLU A 36 -13.076 8.498 -9.280 1.00 14.14 C ATOM 553 C GLU A 36 -12.949 7.184 -8.515 1.00 71.42 C ATOM 554 O GLU A 36 -13.409 7.068 -7.380 1.00 23.33 O ATOM 555 CB GLU A 36 -14.448 8.578 -9.954 1.00 24.11 C ATOM 556 CG GLU A 36 -15.445 9.446 -9.205 1.00 44.21 C ATOM 557 CD GLU A 36 -16.693 8.686 -8.802 1.00 31.10 C ATOM 558 OE1 GLU A 36 -17.473 8.307 -9.701 1.00 43.44 O ATOM 559 OE2 GLU A 36 -16.891 8.470 -7.588 1.00 61.42 O ATOM 0 H GLU A 36 -12.344 8.725 -11.232 1.00 73.34 H new ATOM 0 HA GLU A 36 -12.979 9.321 -8.572 1.00 14.14 H new ATOM 0 HB2 GLU A 36 -14.325 8.970 -10.964 1.00 24.11 H new ATOM 0 HB3 GLU A 36 -14.855 7.572 -10.050 1.00 24.11 H new ATOM 0 HG2 GLU A 36 -14.968 9.853 -8.313 1.00 44.21 H new ATOM 0 HG3 GLU A 36 -15.726 10.293 -9.831 1.00 44.21 H new ATOM 566 N GLU A 37 -12.322 6.196 -9.147 1.00 52.44 N ATOM 567 CA GLU A 37 -12.136 4.890 -8.527 1.00 62.14 C ATOM 568 C GLU A 37 -10.654 4.597 -8.310 1.00 10.43 C ATOM 569 O GLU A 37 -10.277 3.485 -7.943 1.00 75.54 O ATOM 570 CB GLU A 37 -12.761 3.795 -9.395 1.00 0.24 C ATOM 571 CG GLU A 37 -13.947 3.105 -8.742 1.00 71.03 C ATOM 572 CD GLU A 37 -13.615 1.706 -8.260 1.00 53.12 C ATOM 573 OE1 GLU A 37 -13.393 1.536 -7.043 1.00 11.00 O ATOM 574 OE2 GLU A 37 -13.578 0.782 -9.099 1.00 45.12 O ATOM 0 H GLU A 37 -11.935 6.276 -10.087 1.00 52.44 H new ATOM 0 HA GLU A 37 -12.633 4.903 -7.557 1.00 62.14 H new ATOM 0 HB2 GLU A 37 -13.081 4.231 -10.341 1.00 0.24 H new ATOM 0 HB3 GLU A 37 -12.001 3.050 -9.628 1.00 0.24 H new ATOM 0 HG2 GLU A 37 -14.292 3.704 -7.899 1.00 71.03 H new ATOM 0 HG3 GLU A 37 -14.770 3.054 -9.454 1.00 71.03 H new ATOM 581 N ALA A 38 -9.818 5.605 -8.539 1.00 32.04 N ATOM 582 CA ALA A 38 -8.378 5.457 -8.366 1.00 54.35 C ATOM 583 C ALA A 38 -7.992 5.520 -6.893 1.00 34.15 C ATOM 584 O ALA A 38 -8.708 6.080 -6.062 1.00 32.53 O ATOM 585 CB ALA A 38 -7.640 6.530 -9.153 1.00 60.14 C ATOM 0 H ALA A 38 -10.113 6.532 -8.845 1.00 32.04 H new ATOM 0 HA ALA A 38 -8.090 4.478 -8.748 1.00 54.35 H new ATOM 0 HB1 ALA A 38 -6.566 6.408 -9.015 1.00 60.14 H new ATOM 0 HB2 ALA A 38 -7.883 6.437 -10.211 1.00 60.14 H new ATOM 0 HB3 ALA A 38 -7.942 7.515 -8.797 1.00 60.14 H new ATOM 591 N PRO A 39 -6.834 4.932 -6.558 1.00 32.12 N ATOM 592 CA PRO A 39 -6.327 4.908 -5.183 1.00 33.44 C ATOM 593 C PRO A 39 -5.879 6.285 -4.705 1.00 60.35 C ATOM 594 O PRO A 39 -5.673 7.195 -5.509 1.00 54.14 O ATOM 595 CB PRO A 39 -5.132 3.954 -5.262 1.00 14.02 C ATOM 596 CG PRO A 39 -4.686 4.023 -6.681 1.00 51.25 C ATOM 597 CD PRO A 39 -5.930 4.246 -7.496 1.00 51.13 C ATOM 0 HA PRO A 39 -7.092 4.597 -4.472 1.00 33.44 H new ATOM 0 HB2 PRO A 39 -4.337 4.259 -4.582 1.00 14.02 H new ATOM 0 HB3 PRO A 39 -5.417 2.939 -4.985 1.00 14.02 H new ATOM 0 HG2 PRO A 39 -3.973 4.835 -6.827 1.00 51.25 H new ATOM 0 HG3 PRO A 39 -4.185 3.102 -6.978 1.00 51.25 H new ATOM 0 HD2 PRO A 39 -5.729 4.854 -8.378 1.00 51.13 H new ATOM 0 HD3 PRO A 39 -6.354 3.305 -7.848 1.00 51.13 H new ATOM 605 N LEU A 40 -5.729 6.431 -3.394 1.00 3.22 N ATOM 606 CA LEU A 40 -5.304 7.698 -2.809 1.00 43.42 C ATOM 607 C LEU A 40 -3.873 8.034 -3.217 1.00 62.24 C ATOM 608 O LEU A 40 -3.515 9.203 -3.364 1.00 63.00 O ATOM 609 CB LEU A 40 -5.411 7.641 -1.284 1.00 61.43 C ATOM 610 CG LEU A 40 -5.018 8.914 -0.535 1.00 51.41 C ATOM 611 CD1 LEU A 40 -3.510 8.979 -0.346 1.00 55.01 C ATOM 612 CD2 LEU A 40 -5.518 10.145 -1.277 1.00 43.33 C ATOM 0 H LEU A 40 -5.895 5.688 -2.715 1.00 3.22 H new ATOM 0 HA LEU A 40 -5.963 8.481 -3.184 1.00 43.42 H new ATOM 0 HB2 LEU A 40 -6.439 7.392 -1.021 1.00 61.43 H new ATOM 0 HB3 LEU A 40 -4.784 6.825 -0.926 1.00 61.43 H new ATOM 0 HG LEU A 40 -5.486 8.892 0.449 1.00 51.41 H new ATOM 0 HD11 LEU A 40 -3.249 9.892 0.189 1.00 55.01 H new ATOM 0 HD12 LEU A 40 -3.178 8.114 0.229 1.00 55.01 H new ATOM 0 HD13 LEU A 40 -3.021 8.977 -1.320 1.00 55.01 H new ATOM 0 HD21 LEU A 40 -5.229 11.042 -0.729 1.00 43.33 H new ATOM 0 HD22 LEU A 40 -5.079 10.172 -2.274 1.00 43.33 H new ATOM 0 HD23 LEU A 40 -6.604 10.104 -1.359 1.00 43.33 H new ATOM 624 N THR A 41 -3.058 7.000 -3.402 1.00 24.10 N ATOM 625 CA THR A 41 -1.666 7.184 -3.795 1.00 12.25 C ATOM 626 C THR A 41 -1.554 8.102 -5.006 1.00 62.14 C ATOM 627 O THR A 41 -0.564 8.816 -5.167 1.00 33.25 O ATOM 628 CB THR A 41 -0.991 5.838 -4.120 1.00 13.34 C ATOM 629 OG1 THR A 41 -1.962 4.911 -4.617 1.00 72.20 O ATOM 630 CG2 THR A 41 -0.316 5.260 -2.886 1.00 25.24 C ATOM 0 H THR A 41 -3.338 6.026 -3.286 1.00 24.10 H new ATOM 0 HA THR A 41 -1.156 7.642 -2.947 1.00 12.25 H new ATOM 0 HB THR A 41 -0.232 6.012 -4.882 1.00 13.34 H new ATOM 0 HG1 THR A 41 -1.525 4.058 -4.823 1.00 72.20 H new ATOM 0 HG21 THR A 41 0.154 4.310 -3.140 1.00 25.24 H new ATOM 0 HG22 THR A 41 0.443 5.955 -2.527 1.00 25.24 H new ATOM 0 HG23 THR A 41 -1.060 5.100 -2.106 1.00 25.24 H new ATOM 638 N ALA A 42 -2.574 8.079 -5.857 1.00 75.53 N ATOM 639 CA ALA A 42 -2.591 8.911 -7.054 1.00 1.03 C ATOM 640 C ALA A 42 -2.500 10.390 -6.694 1.00 50.25 C ATOM 641 O ALA A 42 -1.815 11.161 -7.366 1.00 71.23 O ATOM 642 CB ALA A 42 -3.847 8.640 -7.868 1.00 71.11 C ATOM 0 H ALA A 42 -3.400 7.493 -5.740 1.00 75.53 H new ATOM 0 HA ALA A 42 -1.720 8.656 -7.657 1.00 1.03 H new ATOM 0 HB1 ALA A 42 -3.846 9.268 -8.759 1.00 71.11 H new ATOM 0 HB2 ALA A 42 -3.870 7.591 -8.164 1.00 71.11 H new ATOM 0 HB3 ALA A 42 -4.727 8.866 -7.266 1.00 71.11 H new ATOM 648 N ALA A 43 -3.196 10.780 -5.631 1.00 41.14 N ATOM 649 CA ALA A 43 -3.192 12.167 -5.183 1.00 33.14 C ATOM 650 C ALA A 43 -1.897 12.504 -4.453 1.00 3.42 C ATOM 651 O ALA A 43 -1.457 13.655 -4.446 1.00 53.13 O ATOM 652 CB ALA A 43 -4.391 12.434 -4.285 1.00 12.04 C ATOM 0 H ALA A 43 -3.769 10.155 -5.064 1.00 41.14 H new ATOM 0 HA ALA A 43 -3.260 12.808 -6.062 1.00 33.14 H new ATOM 0 HB1 ALA A 43 -4.376 13.473 -3.957 1.00 12.04 H new ATOM 0 HB2 ALA A 43 -5.310 12.241 -4.838 1.00 12.04 H new ATOM 0 HB3 ALA A 43 -4.347 11.779 -3.415 1.00 12.04 H new ATOM 658 N LEU A 44 -1.289 11.495 -3.838 1.00 53.33 N ATOM 659 CA LEU A 44 -0.043 11.685 -3.104 1.00 51.31 C ATOM 660 C LEU A 44 0.989 12.412 -3.961 1.00 74.53 C ATOM 661 O LEU A 44 1.845 13.129 -3.445 1.00 1.25 O ATOM 662 CB LEU A 44 0.514 10.336 -2.649 1.00 24.42 C ATOM 663 CG LEU A 44 1.109 10.295 -1.240 1.00 55.34 C ATOM 664 CD1 LEU A 44 0.012 10.104 -0.204 1.00 22.01 C ATOM 665 CD2 LEU A 44 2.147 9.189 -1.131 1.00 63.32 C ATOM 0 H LEU A 44 -1.639 10.537 -3.833 1.00 53.33 H new ATOM 0 HA LEU A 44 -0.256 12.297 -2.228 1.00 51.31 H new ATOM 0 HB2 LEU A 44 -0.286 9.598 -2.705 1.00 24.42 H new ATOM 0 HB3 LEU A 44 1.284 10.026 -3.356 1.00 24.42 H new ATOM 0 HG LEU A 44 1.602 11.248 -1.046 1.00 55.34 H new ATOM 0 HD11 LEU A 44 0.453 10.077 0.792 1.00 22.01 H new ATOM 0 HD12 LEU A 44 -0.695 10.931 -0.266 1.00 22.01 H new ATOM 0 HD13 LEU A 44 -0.510 9.166 -0.395 1.00 22.01 H new ATOM 0 HD21 LEU A 44 2.559 9.175 -0.122 1.00 63.32 H new ATOM 0 HD22 LEU A 44 1.679 8.228 -1.345 1.00 63.32 H new ATOM 0 HD23 LEU A 44 2.948 9.370 -1.848 1.00 63.32 H new ATOM 677 N ARG A 45 0.899 12.222 -5.274 1.00 22.54 N ATOM 678 CA ARG A 45 1.824 12.859 -6.203 1.00 3.23 C ATOM 679 C ARG A 45 1.902 14.362 -5.947 1.00 61.41 C ATOM 680 O ARG A 45 2.980 14.906 -5.709 1.00 2.34 O ATOM 681 CB ARG A 45 1.391 12.599 -7.647 1.00 21.55 C ATOM 682 CG ARG A 45 2.247 11.566 -8.362 1.00 52.11 C ATOM 683 CD ARG A 45 1.614 11.131 -9.675 1.00 11.24 C ATOM 684 NE ARG A 45 2.609 10.949 -10.728 1.00 52.32 N ATOM 685 CZ ARG A 45 3.212 11.956 -11.351 1.00 22.32 C ATOM 686 NH1 ARG A 45 2.924 13.209 -11.027 1.00 34.43 N ATOM 687 NH2 ARG A 45 4.107 11.710 -12.299 1.00 71.23 N ATOM 0 H ARG A 45 0.195 11.632 -5.718 1.00 22.54 H new ATOM 0 HA ARG A 45 2.813 12.428 -6.045 1.00 3.23 H new ATOM 0 HB2 ARG A 45 0.353 12.265 -7.652 1.00 21.55 H new ATOM 0 HB3 ARG A 45 1.427 13.536 -8.203 1.00 21.55 H new ATOM 0 HG2 ARG A 45 3.236 11.981 -8.554 1.00 52.11 H new ATOM 0 HG3 ARG A 45 2.385 10.698 -7.718 1.00 52.11 H new ATOM 0 HD2 ARG A 45 1.071 10.198 -9.524 1.00 11.24 H new ATOM 0 HD3 ARG A 45 0.885 11.877 -9.990 1.00 11.24 H new ATOM 0 HE ARG A 45 2.855 9.997 -11.000 1.00 52.32 H new ATOM 0 HH11 ARG A 45 2.238 13.402 -10.298 1.00 34.43 H new ATOM 0 HH12 ARG A 45 3.389 13.980 -11.507 1.00 34.43 H new ATOM 0 HH21 ARG A 45 4.333 10.747 -12.550 1.00 71.23 H new ATOM 0 HH22 ARG A 45 4.569 12.483 -12.777 1.00 71.23 H new ATOM 701 N PHE A 46 0.752 15.026 -5.999 1.00 63.22 N ATOM 702 CA PHE A 46 0.690 16.465 -5.775 1.00 1.31 C ATOM 703 C PHE A 46 0.556 16.779 -4.288 1.00 30.24 C ATOM 704 O PHE A 46 1.048 17.801 -3.811 1.00 50.10 O ATOM 705 CB PHE A 46 -0.485 17.072 -6.544 1.00 13.43 C ATOM 706 CG PHE A 46 -0.074 17.796 -7.794 1.00 72.00 C ATOM 707 CD1 PHE A 46 0.776 18.888 -7.731 1.00 13.35 C ATOM 708 CD2 PHE A 46 -0.538 17.384 -9.033 1.00 13.01 C ATOM 709 CE1 PHE A 46 1.156 19.556 -8.879 1.00 43.22 C ATOM 710 CE2 PHE A 46 -0.161 18.048 -10.185 1.00 22.30 C ATOM 711 CZ PHE A 46 0.686 19.136 -10.108 1.00 24.20 C ATOM 0 H PHE A 46 -0.149 14.590 -6.194 1.00 63.22 H new ATOM 0 HA PHE A 46 1.619 16.904 -6.139 1.00 1.31 H new ATOM 0 HB2 PHE A 46 -1.185 16.279 -6.807 1.00 13.43 H new ATOM 0 HB3 PHE A 46 -1.017 17.764 -5.891 1.00 13.43 H new ATOM 0 HD1 PHE A 46 1.146 19.221 -6.773 1.00 13.35 H new ATOM 0 HD2 PHE A 46 -1.202 16.535 -9.099 1.00 13.01 H new ATOM 0 HE1 PHE A 46 1.820 20.406 -8.816 1.00 43.22 H new ATOM 0 HE2 PHE A 46 -0.529 17.716 -11.145 1.00 22.30 H new ATOM 0 HZ PHE A 46 0.980 19.657 -11.007 1.00 24.20 H new ATOM 721 N ALA A 47 -0.114 15.891 -3.560 1.00 54.32 N ATOM 722 CA ALA A 47 -0.313 16.072 -2.127 1.00 63.44 C ATOM 723 C ALA A 47 1.021 16.122 -1.391 1.00 25.04 C ATOM 724 O ALA A 47 1.154 16.802 -0.374 1.00 5.50 O ATOM 725 CB ALA A 47 -1.183 14.955 -1.570 1.00 54.05 C ATOM 0 H ALA A 47 -0.528 15.039 -3.939 1.00 54.32 H new ATOM 0 HA ALA A 47 -0.820 17.024 -1.973 1.00 63.44 H new ATOM 0 HB1 ALA A 47 -1.323 15.103 -0.499 1.00 54.05 H new ATOM 0 HB2 ALA A 47 -2.153 14.966 -2.068 1.00 54.05 H new ATOM 0 HB3 ALA A 47 -0.697 13.995 -1.743 1.00 54.05 H new ATOM 731 N ALA A 48 2.007 15.397 -1.910 1.00 33.21 N ATOM 732 CA ALA A 48 3.331 15.360 -1.302 1.00 11.33 C ATOM 733 C ALA A 48 3.933 16.759 -1.212 1.00 75.31 C ATOM 734 O ALA A 48 4.746 17.038 -0.332 1.00 50.43 O ATOM 735 CB ALA A 48 4.249 14.438 -2.091 1.00 12.34 C ATOM 0 H ALA A 48 1.913 14.827 -2.751 1.00 33.21 H new ATOM 0 HA ALA A 48 3.228 14.971 -0.289 1.00 11.33 H new ATOM 0 HB1 ALA A 48 5.234 14.420 -1.625 1.00 12.34 H new ATOM 0 HB2 ALA A 48 3.833 13.430 -2.099 1.00 12.34 H new ATOM 0 HB3 ALA A 48 4.338 14.802 -3.115 1.00 12.34 H new ATOM 741 N GLU A 49 3.527 17.632 -2.129 1.00 3.24 N ATOM 742 CA GLU A 49 4.029 19.001 -2.152 1.00 52.35 C ATOM 743 C GLU A 49 3.297 19.867 -1.130 1.00 63.44 C ATOM 744 O GLU A 49 3.896 20.735 -0.496 1.00 74.30 O ATOM 745 CB GLU A 49 3.871 19.601 -3.551 1.00 41.41 C ATOM 746 CG GLU A 49 4.608 18.828 -4.632 1.00 14.01 C ATOM 747 CD GLU A 49 5.985 18.374 -4.188 1.00 74.44 C ATOM 748 OE1 GLU A 49 6.080 17.300 -3.557 1.00 15.45 O ATOM 749 OE2 GLU A 49 6.967 19.090 -4.473 1.00 13.33 O ATOM 0 H GLU A 49 2.853 17.416 -2.864 1.00 3.24 H new ATOM 0 HA GLU A 49 5.087 18.977 -1.891 1.00 52.35 H new ATOM 0 HB2 GLU A 49 2.811 19.640 -3.803 1.00 41.41 H new ATOM 0 HB3 GLU A 49 4.234 20.629 -3.539 1.00 41.41 H new ATOM 0 HG2 GLU A 49 4.017 17.958 -4.918 1.00 14.01 H new ATOM 0 HG3 GLU A 49 4.704 19.454 -5.519 1.00 14.01 H new ATOM 756 N GLU A 50 1.999 19.623 -0.978 1.00 24.42 N ATOM 757 CA GLU A 50 1.186 20.380 -0.034 1.00 41.41 C ATOM 758 C GLU A 50 1.729 20.242 1.385 1.00 11.24 C ATOM 759 O GLU A 50 1.818 21.222 2.126 1.00 35.42 O ATOM 760 CB GLU A 50 -0.268 19.906 -0.084 1.00 41.43 C ATOM 761 CG GLU A 50 -0.819 19.782 -1.495 1.00 31.23 C ATOM 762 CD GLU A 50 -2.319 19.562 -1.517 1.00 73.45 C ATOM 763 OE1 GLU A 50 -2.745 18.394 -1.643 1.00 40.24 O ATOM 764 OE2 GLU A 50 -3.067 20.556 -1.410 1.00 31.43 O ATOM 0 H GLU A 50 1.489 18.908 -1.496 1.00 24.42 H new ATOM 0 HA GLU A 50 1.228 21.431 -0.320 1.00 41.41 H new ATOM 0 HB2 GLU A 50 -0.343 18.939 0.413 1.00 41.43 H new ATOM 0 HB3 GLU A 50 -0.888 20.603 0.479 1.00 41.43 H new ATOM 0 HG2 GLU A 50 -0.580 20.686 -2.055 1.00 31.23 H new ATOM 0 HG3 GLU A 50 -0.326 18.953 -2.002 1.00 31.23 H new ATOM 771 N PHE A 51 2.090 19.019 1.758 1.00 63.22 N ATOM 772 CA PHE A 51 2.623 18.751 3.089 1.00 70.15 C ATOM 773 C PHE A 51 4.148 18.797 3.083 1.00 22.33 C ATOM 774 O PHE A 51 4.778 18.981 4.124 1.00 62.42 O ATOM 775 CB PHE A 51 2.144 17.386 3.587 1.00 23.13 C ATOM 776 CG PHE A 51 1.479 17.439 4.933 1.00 62.11 C ATOM 777 CD1 PHE A 51 0.230 18.020 5.081 1.00 61.13 C ATOM 778 CD2 PHE A 51 2.103 16.908 6.050 1.00 4.03 C ATOM 779 CE1 PHE A 51 -0.385 18.070 6.318 1.00 40.05 C ATOM 780 CE2 PHE A 51 1.493 16.955 7.289 1.00 21.24 C ATOM 781 CZ PHE A 51 0.248 17.538 7.424 1.00 60.45 C ATOM 0 H PHE A 51 2.023 18.197 1.157 1.00 63.22 H new ATOM 0 HA PHE A 51 2.257 19.525 3.763 1.00 70.15 H new ATOM 0 HB2 PHE A 51 1.446 16.968 2.862 1.00 23.13 H new ATOM 0 HB3 PHE A 51 2.995 16.707 3.638 1.00 23.13 H new ATOM 0 HD1 PHE A 51 -0.269 18.439 4.220 1.00 61.13 H new ATOM 0 HD2 PHE A 51 3.077 16.452 5.951 1.00 4.03 H new ATOM 0 HE1 PHE A 51 -1.359 18.525 6.419 1.00 40.05 H new ATOM 0 HE2 PHE A 51 1.990 16.536 8.152 1.00 21.24 H new ATOM 0 HZ PHE A 51 -0.229 17.578 8.392 1.00 60.45 H new ATOM 791 N GLY A 52 4.735 18.627 1.902 1.00 5.34 N ATOM 792 CA GLY A 52 6.182 18.652 1.783 1.00 75.32 C ATOM 793 C GLY A 52 6.825 17.368 2.268 1.00 3.11 C ATOM 794 O GLY A 52 8.050 17.273 2.350 1.00 22.22 O ATOM 0 H GLY A 52 4.235 18.473 1.026 1.00 5.34 H new ATOM 0 HA2 GLY A 52 6.455 18.821 0.741 1.00 75.32 H new ATOM 0 HA3 GLY A 52 6.576 19.491 2.356 1.00 75.32 H new ATOM 798 N ILE A 53 5.999 16.379 2.592 1.00 52.40 N ATOM 799 CA ILE A 53 6.495 15.096 3.072 1.00 23.13 C ATOM 800 C ILE A 53 5.573 13.957 2.650 1.00 22.03 C ATOM 801 O ILE A 53 4.627 14.160 1.891 1.00 55.21 O ATOM 802 CB ILE A 53 6.637 15.085 4.606 1.00 40.31 C ATOM 803 CG1 ILE A 53 5.260 15.175 5.268 1.00 64.13 C ATOM 804 CG2 ILE A 53 7.526 16.232 5.063 1.00 24.35 C ATOM 805 CD1 ILE A 53 5.314 15.155 6.779 1.00 22.43 C ATOM 0 H ILE A 53 4.983 16.442 2.531 1.00 52.40 H new ATOM 0 HA ILE A 53 7.478 14.950 2.623 1.00 23.13 H new ATOM 0 HB ILE A 53 7.103 14.147 4.907 1.00 40.31 H new ATOM 0 HG12 ILE A 53 4.768 16.092 4.942 1.00 64.13 H new ATOM 0 HG13 ILE A 53 4.645 14.344 4.923 1.00 64.13 H new ATOM 0 HG21 ILE A 53 7.617 16.211 6.149 1.00 24.35 H new ATOM 0 HG22 ILE A 53 8.514 16.128 4.614 1.00 24.35 H new ATOM 0 HG23 ILE A 53 7.085 17.180 4.754 1.00 24.35 H new ATOM 0 HD11 ILE A 53 4.303 15.222 7.180 1.00 22.43 H new ATOM 0 HD12 ILE A 53 5.777 14.227 7.114 1.00 22.43 H new ATOM 0 HD13 ILE A 53 5.902 16.002 7.133 1.00 22.43 H new ATOM 817 N ALA A 54 5.856 12.758 3.150 1.00 52.23 N ATOM 818 CA ALA A 54 5.050 11.587 2.828 1.00 53.22 C ATOM 819 C ALA A 54 4.824 10.720 4.062 1.00 62.03 C ATOM 820 O ALA A 54 5.567 9.770 4.309 1.00 5.50 O ATOM 821 CB ALA A 54 5.714 10.777 1.725 1.00 74.53 C ATOM 0 H ALA A 54 6.637 12.573 3.779 1.00 52.23 H new ATOM 0 HA ALA A 54 4.078 11.931 2.476 1.00 53.22 H new ATOM 0 HB1 ALA A 54 5.101 9.905 1.495 1.00 74.53 H new ATOM 0 HB2 ALA A 54 5.818 11.394 0.832 1.00 74.53 H new ATOM 0 HB3 ALA A 54 6.700 10.450 2.057 1.00 74.53 H new ATOM 827 N SER A 55 3.794 11.053 4.833 1.00 4.03 N ATOM 828 CA SER A 55 3.474 10.307 6.044 1.00 30.15 C ATOM 829 C SER A 55 2.242 10.889 6.731 1.00 21.11 C ATOM 830 O SER A 55 1.156 10.312 6.676 1.00 31.04 O ATOM 831 CB SER A 55 4.663 10.321 7.007 1.00 11.22 C ATOM 832 OG SER A 55 5.267 9.042 7.091 1.00 35.12 O ATOM 0 H SER A 55 3.167 11.834 4.641 1.00 4.03 H new ATOM 0 HA SER A 55 3.258 9.277 5.760 1.00 30.15 H new ATOM 0 HB2 SER A 55 5.398 11.052 6.671 1.00 11.22 H new ATOM 0 HB3 SER A 55 4.330 10.635 7.996 1.00 11.22 H new ATOM 0 HG SER A 55 5.615 8.786 6.211 1.00 35.12 H new ATOM 838 N VAL A 56 2.420 12.036 7.378 1.00 14.50 N ATOM 839 CA VAL A 56 1.323 12.699 8.075 1.00 25.41 C ATOM 840 C VAL A 56 0.293 13.240 7.090 1.00 30.53 C ATOM 841 O VAL A 56 -0.873 13.428 7.437 1.00 10.43 O ATOM 842 CB VAL A 56 1.835 13.856 8.954 1.00 73.14 C ATOM 843 CG1 VAL A 56 0.674 14.553 9.647 1.00 41.22 C ATOM 844 CG2 VAL A 56 2.845 13.346 9.970 1.00 2.31 C ATOM 0 H VAL A 56 3.313 12.526 7.434 1.00 14.50 H new ATOM 0 HA VAL A 56 0.853 11.949 8.712 1.00 25.41 H new ATOM 0 HB VAL A 56 2.334 14.583 8.314 1.00 73.14 H new ATOM 0 HG11 VAL A 56 1.054 15.367 10.264 1.00 41.22 H new ATOM 0 HG12 VAL A 56 -0.009 14.953 8.898 1.00 41.22 H new ATOM 0 HG13 VAL A 56 0.144 13.838 10.277 1.00 41.22 H new ATOM 0 HG21 VAL A 56 3.196 14.177 10.582 1.00 2.31 H new ATOM 0 HG22 VAL A 56 2.374 12.599 10.608 1.00 2.31 H new ATOM 0 HG23 VAL A 56 3.690 12.897 9.449 1.00 2.31 H new ATOM 854 N ASP A 57 0.731 13.486 5.861 1.00 52.43 N ATOM 855 CA ASP A 57 -0.154 14.004 4.824 1.00 51.54 C ATOM 856 C ASP A 57 -1.260 13.003 4.503 1.00 44.53 C ATOM 857 O ASP A 57 -2.269 13.353 3.891 1.00 11.45 O ATOM 858 CB ASP A 57 0.642 14.327 3.558 1.00 22.22 C ATOM 859 CG ASP A 57 0.877 13.103 2.694 1.00 11.24 C ATOM 860 OD1 ASP A 57 0.408 13.095 1.537 1.00 73.31 O ATOM 861 OD2 ASP A 57 1.531 12.154 3.176 1.00 54.44 O ATOM 0 H ASP A 57 1.693 13.335 5.558 1.00 52.43 H new ATOM 0 HA ASP A 57 -0.614 14.919 5.198 1.00 51.54 H new ATOM 0 HB2 ASP A 57 0.108 15.080 2.979 1.00 22.22 H new ATOM 0 HB3 ASP A 57 1.602 14.761 3.837 1.00 22.22 H new ATOM 866 N SER A 58 -1.061 11.757 4.918 1.00 21.43 N ATOM 867 CA SER A 58 -2.039 10.703 4.671 1.00 43.51 C ATOM 868 C SER A 58 -3.378 11.043 5.317 1.00 13.12 C ATOM 869 O SER A 58 -4.436 10.675 4.808 1.00 14.00 O ATOM 870 CB SER A 58 -1.525 9.366 5.207 1.00 35.31 C ATOM 871 OG SER A 58 -2.470 8.332 4.988 1.00 41.24 O ATOM 0 H SER A 58 -0.231 11.452 5.427 1.00 21.43 H new ATOM 0 HA SER A 58 -2.186 10.622 3.594 1.00 43.51 H new ATOM 0 HB2 SER A 58 -0.584 9.112 4.719 1.00 35.31 H new ATOM 0 HB3 SER A 58 -1.317 9.454 6.273 1.00 35.31 H new ATOM 0 HG SER A 58 -2.118 7.487 5.338 1.00 41.24 H new ATOM 877 N MET A 59 -3.323 11.748 6.443 1.00 53.04 N ATOM 878 CA MET A 59 -4.532 12.139 7.159 1.00 70.12 C ATOM 879 C MET A 59 -4.310 13.433 7.935 1.00 44.34 C ATOM 880 O MET A 59 -4.045 13.410 9.136 1.00 22.11 O ATOM 881 CB MET A 59 -4.967 11.026 8.114 1.00 4.15 C ATOM 882 CG MET A 59 -5.227 9.698 7.422 1.00 21.14 C ATOM 883 SD MET A 59 -5.913 8.457 8.536 1.00 24.04 S ATOM 884 CE MET A 59 -4.503 7.372 8.743 1.00 22.24 C ATOM 0 H MET A 59 -2.455 12.060 6.879 1.00 53.04 H new ATOM 0 HA MET A 59 -5.320 12.307 6.425 1.00 70.12 H new ATOM 0 HB2 MET A 59 -4.196 10.887 8.872 1.00 4.15 H new ATOM 0 HB3 MET A 59 -5.872 11.338 8.634 1.00 4.15 H new ATOM 0 HG2 MET A 59 -5.915 9.854 6.591 1.00 21.14 H new ATOM 0 HG3 MET A 59 -4.295 9.325 6.998 1.00 21.14 H new ATOM 0 HE1 MET A 59 -4.770 6.551 9.409 1.00 22.24 H new ATOM 0 HE2 MET A 59 -4.207 6.971 7.774 1.00 22.24 H new ATOM 0 HE3 MET A 59 -3.673 7.932 9.173 1.00 22.24 H new ATOM 894 N ALA A 60 -4.419 14.561 7.239 1.00 24.25 N ATOM 895 CA ALA A 60 -4.231 15.864 7.864 1.00 11.40 C ATOM 896 C ALA A 60 -5.100 16.924 7.194 1.00 24.04 C ATOM 897 O ALA A 60 -4.597 17.790 6.479 1.00 54.20 O ATOM 898 CB ALA A 60 -2.765 16.269 7.810 1.00 14.42 C ATOM 0 H ALA A 60 -4.636 14.598 6.243 1.00 24.25 H new ATOM 0 HA ALA A 60 -4.537 15.787 8.907 1.00 11.40 H new ATOM 0 HB1 ALA A 60 -2.639 17.244 8.280 1.00 14.42 H new ATOM 0 HB2 ALA A 60 -2.164 15.530 8.340 1.00 14.42 H new ATOM 0 HB3 ALA A 60 -2.440 16.323 6.771 1.00 14.42 H new ATOM 904 N ALA A 61 -6.405 16.848 7.431 1.00 51.20 N ATOM 905 CA ALA A 61 -7.343 17.802 6.852 1.00 70.24 C ATOM 906 C ALA A 61 -8.632 17.867 7.664 1.00 4.43 C ATOM 907 O ALA A 61 -9.005 16.905 8.336 1.00 63.21 O ATOM 908 CB ALA A 61 -7.646 17.433 5.407 1.00 71.20 C ATOM 0 H ALA A 61 -6.837 16.136 8.020 1.00 51.20 H new ATOM 0 HA ALA A 61 -6.880 18.788 6.875 1.00 70.24 H new ATOM 0 HB1 ALA A 61 -8.348 18.154 4.987 1.00 71.20 H new ATOM 0 HB2 ALA A 61 -6.723 17.445 4.827 1.00 71.20 H new ATOM 0 HB3 ALA A 61 -8.085 16.436 5.370 1.00 71.20 H new ATOM 914 N THR A 62 -9.309 19.010 7.600 1.00 31.51 N ATOM 915 CA THR A 62 -10.555 19.201 8.331 1.00 10.34 C ATOM 916 C THR A 62 -11.654 19.728 7.416 1.00 13.11 C ATOM 917 O THR A 62 -11.378 20.357 6.394 1.00 61.32 O ATOM 918 CB THR A 62 -10.371 20.178 9.508 1.00 20.35 C ATOM 919 OG1 THR A 62 -9.350 21.132 9.198 1.00 3.21 O ATOM 920 CG2 THR A 62 -10.003 19.429 10.780 1.00 23.23 C ATOM 0 H THR A 62 -9.015 19.817 7.049 1.00 31.51 H new ATOM 0 HA THR A 62 -10.846 18.225 8.720 1.00 10.34 H new ATOM 0 HB THR A 62 -11.315 20.698 9.671 1.00 20.35 H new ATOM 0 HG1 THR A 62 -9.241 21.750 9.950 1.00 3.21 H new ATOM 0 HG21 THR A 62 -9.878 20.139 11.597 1.00 23.23 H new ATOM 0 HG22 THR A 62 -10.796 18.724 11.030 1.00 23.23 H new ATOM 0 HG23 THR A 62 -9.071 18.886 10.626 1.00 23.23 H new ATOM 928 N THR A 63 -12.904 19.469 7.789 1.00 23.23 N ATOM 929 CA THR A 63 -14.045 19.917 7.002 1.00 72.55 C ATOM 930 C THR A 63 -14.647 21.191 7.581 1.00 13.33 C ATOM 931 O THR A 63 -14.388 21.546 8.731 1.00 24.04 O ATOM 932 CB THR A 63 -15.138 18.833 6.929 1.00 3.04 C ATOM 933 OG1 THR A 63 -15.561 18.476 8.250 1.00 74.12 O ATOM 934 CG2 THR A 63 -14.627 17.597 6.204 1.00 53.44 C ATOM 0 H THR A 63 -13.151 18.951 8.632 1.00 23.23 H new ATOM 0 HA THR A 63 -13.675 20.118 5.997 1.00 72.55 H new ATOM 0 HB THR A 63 -15.984 19.237 6.373 1.00 3.04 H new ATOM 0 HG1 THR A 63 -15.192 17.599 8.486 1.00 74.12 H new ATOM 0 HG21 THR A 63 -15.416 16.846 6.165 1.00 53.44 H new ATOM 0 HG22 THR A 63 -14.332 17.866 5.190 1.00 53.44 H new ATOM 0 HG23 THR A 63 -13.767 17.192 6.737 1.00 53.44 H new ATOM 942 N LYS A 64 -15.454 21.877 6.779 1.00 42.44 N ATOM 943 CA LYS A 64 -16.095 23.113 7.212 1.00 75.20 C ATOM 944 C LYS A 64 -16.946 22.877 8.456 1.00 20.20 C ATOM 945 O LYS A 64 -17.193 23.798 9.235 1.00 64.12 O ATOM 946 CB LYS A 64 -16.964 23.682 6.088 1.00 50.11 C ATOM 947 CG LYS A 64 -18.022 22.714 5.587 1.00 65.14 C ATOM 948 CD LYS A 64 -17.581 22.019 4.309 1.00 25.35 C ATOM 949 CE LYS A 64 -17.502 20.511 4.494 1.00 24.04 C ATOM 950 NZ LYS A 64 -18.681 19.818 3.907 1.00 72.42 N ATOM 0 H LYS A 64 -15.680 21.598 5.824 1.00 42.44 H new ATOM 0 HA LYS A 64 -15.313 23.832 7.458 1.00 75.20 H new ATOM 0 HB2 LYS A 64 -17.453 24.590 6.442 1.00 50.11 H new ATOM 0 HB3 LYS A 64 -16.323 23.969 5.255 1.00 50.11 H new ATOM 0 HG2 LYS A 64 -18.228 21.969 6.355 1.00 65.14 H new ATOM 0 HG3 LYS A 64 -18.953 23.252 5.407 1.00 65.14 H new ATOM 0 HD2 LYS A 64 -18.281 22.252 3.507 1.00 25.35 H new ATOM 0 HD3 LYS A 64 -16.607 22.401 4.003 1.00 25.35 H new ATOM 0 HE2 LYS A 64 -16.591 20.135 4.028 1.00 24.04 H new ATOM 0 HE3 LYS A 64 -17.436 20.278 5.557 1.00 24.04 H new ATOM 0 HZ1 LYS A 64 -18.589 18.792 4.054 1.00 72.42 H new ATOM 0 HZ2 LYS A 64 -19.549 20.158 4.369 1.00 72.42 H new ATOM 0 HZ3 LYS A 64 -18.730 20.019 2.888 1.00 72.42 H new ATOM 964 N ASP A 65 -17.390 21.638 8.637 1.00 71.00 N ATOM 965 CA ASP A 65 -18.211 21.281 9.788 1.00 21.52 C ATOM 966 C ASP A 65 -17.339 20.904 10.982 1.00 45.23 C ATOM 967 O ASP A 65 -17.776 20.973 12.129 1.00 31.54 O ATOM 968 CB ASP A 65 -19.143 20.120 9.436 1.00 13.32 C ATOM 969 CG ASP A 65 -20.484 20.594 8.911 1.00 51.04 C ATOM 970 OD1 ASP A 65 -20.514 21.622 8.201 1.00 32.32 O ATOM 971 OD2 ASP A 65 -21.503 19.937 9.208 1.00 71.32 O ATOM 0 H ASP A 65 -17.195 20.864 8.002 1.00 71.00 H new ATOM 0 HA ASP A 65 -18.811 22.150 10.058 1.00 21.52 H new ATOM 0 HB2 ASP A 65 -18.665 19.488 8.687 1.00 13.32 H new ATOM 0 HB3 ASP A 65 -19.300 19.503 10.320 1.00 13.32 H new ATOM 976 N GLY A 66 -16.101 20.505 10.702 1.00 53.41 N ATOM 977 CA GLY A 66 -15.188 20.123 11.762 1.00 25.24 C ATOM 978 C GLY A 66 -14.190 19.072 11.317 1.00 33.42 C ATOM 979 O GLY A 66 -13.305 19.347 10.506 1.00 14.33 O ATOM 0 H GLY A 66 -15.715 20.440 9.760 1.00 53.41 H new ATOM 0 HA2 GLY A 66 -14.651 21.005 12.110 1.00 25.24 H new ATOM 0 HA3 GLY A 66 -15.759 19.742 12.609 1.00 25.24 H new ATOM 983 N THR A 67 -14.331 17.861 11.850 1.00 41.53 N ATOM 984 CA THR A 67 -13.434 16.766 11.505 1.00 22.10 C ATOM 985 C THR A 67 -13.454 16.489 10.006 1.00 13.31 C ATOM 986 O THR A 67 -14.519 16.390 9.398 1.00 60.42 O ATOM 987 CB THR A 67 -13.807 15.476 12.259 1.00 74.52 C ATOM 988 OG1 THR A 67 -15.176 15.531 12.677 1.00 3.31 O ATOM 989 CG2 THR A 67 -12.909 15.277 13.470 1.00 11.24 C ATOM 0 H THR A 67 -15.058 17.615 12.522 1.00 41.53 H new ATOM 0 HA THR A 67 -12.431 17.074 11.801 1.00 22.10 H new ATOM 0 HB THR A 67 -13.668 14.633 11.582 1.00 74.52 H new ATOM 0 HG1 THR A 67 -15.406 14.706 13.154 1.00 3.31 H new ATOM 0 HG21 THR A 67 -13.192 14.360 13.986 1.00 11.24 H new ATOM 0 HG22 THR A 67 -11.871 15.205 13.145 1.00 11.24 H new ATOM 0 HG23 THR A 67 -13.019 16.123 14.148 1.00 11.24 H new ATOM 997 N GLY A 68 -12.269 16.365 9.415 1.00 15.44 N ATOM 998 CA GLY A 68 -12.174 16.101 7.992 1.00 74.33 C ATOM 999 C GLY A 68 -11.255 14.937 7.678 1.00 1.14 C ATOM 1000 O GLY A 68 -10.753 14.818 6.560 1.00 23.14 O ATOM 0 H GLY A 68 -11.373 16.443 9.897 1.00 15.44 H new ATOM 0 HA2 GLY A 68 -13.168 15.892 7.597 1.00 74.33 H new ATOM 0 HA3 GLY A 68 -11.811 16.994 7.483 1.00 74.33 H new ATOM 1004 N ILE A 69 -11.033 14.078 8.667 1.00 25.03 N ATOM 1005 CA ILE A 69 -10.167 12.919 8.491 1.00 24.23 C ATOM 1006 C ILE A 69 -10.944 11.732 7.931 1.00 44.31 C ATOM 1007 O ILE A 69 -11.985 11.352 8.464 1.00 22.32 O ATOM 1008 CB ILE A 69 -9.505 12.504 9.819 1.00 64.25 C ATOM 1009 CG1 ILE A 69 -8.677 13.660 10.384 1.00 21.31 C ATOM 1010 CG2 ILE A 69 -8.635 11.273 9.614 1.00 23.52 C ATOM 1011 CD1 ILE A 69 -9.202 14.192 11.699 1.00 2.10 C ATOM 0 H ILE A 69 -11.441 14.163 9.598 1.00 25.03 H new ATOM 0 HA ILE A 69 -9.391 13.209 7.783 1.00 24.23 H new ATOM 0 HB ILE A 69 -10.287 12.257 10.537 1.00 64.25 H new ATOM 0 HG12 ILE A 69 -7.648 13.327 10.521 1.00 21.31 H new ATOM 0 HG13 ILE A 69 -8.655 14.471 9.656 1.00 21.31 H new ATOM 0 HG21 ILE A 69 -8.174 10.992 10.561 1.00 23.52 H new ATOM 0 HG22 ILE A 69 -9.250 10.449 9.251 1.00 23.52 H new ATOM 0 HG23 ILE A 69 -7.857 11.495 8.883 1.00 23.52 H new ATOM 0 HD11 ILE A 69 -8.567 15.009 12.040 1.00 2.10 H new ATOM 0 HD12 ILE A 69 -10.220 14.556 11.564 1.00 2.10 H new ATOM 0 HD13 ILE A 69 -9.198 13.394 12.442 1.00 2.10 H new ATOM 1023 N ASN A 70 -10.428 11.151 6.853 1.00 74.34 N ATOM 1024 CA ASN A 70 -11.073 10.006 6.220 1.00 73.30 C ATOM 1025 C ASN A 70 -10.297 8.722 6.498 1.00 33.05 C ATOM 1026 O ASN A 70 -9.117 8.744 6.849 1.00 52.05 O ATOM 1027 CB ASN A 70 -11.188 10.228 4.711 1.00 50.34 C ATOM 1028 CG ASN A 70 -12.607 10.544 4.279 1.00 51.10 C ATOM 1029 OD1 ASN A 70 -13.571 10.122 4.918 1.00 23.32 O ATOM 1030 ND2 ASN A 70 -12.741 11.290 3.189 1.00 55.42 N ATOM 0 H ASN A 70 -9.566 11.454 6.400 1.00 74.34 H new ATOM 0 HA ASN A 70 -12.073 9.905 6.643 1.00 73.30 H new ATOM 0 HB2 ASN A 70 -10.531 11.046 4.416 1.00 50.34 H new ATOM 0 HB3 ASN A 70 -10.842 9.336 4.188 1.00 50.34 H new ATOM 0 HD21 ASN A 70 -13.671 11.535 2.850 1.00 55.42 H new ATOM 0 HD22 ASN A 70 -11.914 11.618 2.691 1.00 55.42 H new ATOM 1037 N PRO A 71 -10.974 7.575 6.339 1.00 14.13 N ATOM 1038 CA PRO A 71 -10.368 6.260 6.567 1.00 33.12 C ATOM 1039 C PRO A 71 -9.330 5.908 5.507 1.00 53.41 C ATOM 1040 O PRO A 71 -8.221 5.484 5.828 1.00 63.02 O ATOM 1041 CB PRO A 71 -11.560 5.302 6.488 1.00 65.13 C ATOM 1042 CG PRO A 71 -12.558 6.008 5.637 1.00 44.24 C ATOM 1043 CD PRO A 71 -12.384 7.474 5.924 1.00 24.12 C ATOM 0 HA PRO A 71 -9.831 6.217 7.515 1.00 33.12 H new ATOM 0 HB2 PRO A 71 -11.272 4.347 6.050 1.00 65.13 H new ATOM 0 HB3 PRO A 71 -11.964 5.090 7.478 1.00 65.13 H new ATOM 0 HG2 PRO A 71 -12.391 5.795 4.581 1.00 44.24 H new ATOM 0 HG3 PRO A 71 -13.571 5.682 5.872 1.00 44.24 H new ATOM 0 HD2 PRO A 71 -12.588 8.083 5.043 1.00 24.12 H new ATOM 0 HD3 PRO A 71 -13.059 7.813 6.710 1.00 24.12 H new ATOM 1051 N ALA A 72 -9.698 6.088 4.243 1.00 53.44 N ATOM 1052 CA ALA A 72 -8.798 5.793 3.135 1.00 23.54 C ATOM 1053 C ALA A 72 -8.468 7.053 2.344 1.00 53.53 C ATOM 1054 O ALA A 72 -7.429 7.132 1.689 1.00 30.12 O ATOM 1055 CB ALA A 72 -9.410 4.740 2.224 1.00 72.42 C ATOM 0 H ALA A 72 -10.614 6.437 3.961 1.00 53.44 H new ATOM 0 HA ALA A 72 -7.868 5.403 3.549 1.00 23.54 H new ATOM 0 HB1 ALA A 72 -8.727 4.530 1.401 1.00 72.42 H new ATOM 0 HB2 ALA A 72 -9.587 3.826 2.791 1.00 72.42 H new ATOM 0 HB3 ALA A 72 -10.355 5.108 1.826 1.00 72.42 H new ATOM 1061 N GLN A 73 -9.360 8.037 2.408 1.00 72.22 N ATOM 1062 CA GLN A 73 -9.164 9.294 1.695 1.00 65.51 C ATOM 1063 C GLN A 73 -9.081 9.059 0.190 1.00 33.22 C ATOM 1064 O GLN A 73 -8.334 9.737 -0.515 1.00 40.24 O ATOM 1065 CB GLN A 73 -7.892 9.989 2.185 1.00 70.41 C ATOM 1066 CG GLN A 73 -7.746 9.994 3.698 1.00 14.40 C ATOM 1067 CD GLN A 73 -7.302 11.340 4.236 1.00 0.13 C ATOM 1068 OE1 GLN A 73 -6.812 12.189 3.491 1.00 73.12 O ATOM 1069 NE2 GLN A 73 -7.471 11.542 5.538 1.00 41.52 N ATOM 0 H GLN A 73 -10.225 7.988 2.946 1.00 72.22 H new ATOM 0 HA GLN A 73 -10.022 9.935 1.898 1.00 65.51 H new ATOM 0 HB2 GLN A 73 -7.026 9.494 1.746 1.00 70.41 H new ATOM 0 HB3 GLN A 73 -7.888 11.018 1.824 1.00 70.41 H new ATOM 0 HG2 GLN A 73 -8.699 9.722 4.152 1.00 14.40 H new ATOM 0 HG3 GLN A 73 -7.023 9.233 3.992 1.00 14.40 H new ATOM 0 HE21 GLN A 73 -7.881 10.811 6.119 1.00 41.52 H new ATOM 0 HE22 GLN A 73 -7.190 12.429 5.957 1.00 41.52 H new ATOM 1078 N THR A 74 -9.854 8.093 -0.296 1.00 74.33 N ATOM 1079 CA THR A 74 -9.868 7.767 -1.717 1.00 10.12 C ATOM 1080 C THR A 74 -10.709 8.767 -2.502 1.00 43.30 C ATOM 1081 O THR A 74 -11.523 9.491 -1.931 1.00 14.32 O ATOM 1082 CB THR A 74 -10.416 6.349 -1.963 1.00 24.43 C ATOM 1083 OG1 THR A 74 -9.998 5.473 -0.909 1.00 74.14 O ATOM 1084 CG2 THR A 74 -9.934 5.807 -3.300 1.00 61.11 C ATOM 0 H THR A 74 -10.479 7.522 0.274 1.00 74.33 H new ATOM 0 HA THR A 74 -8.835 7.814 -2.062 1.00 10.12 H new ATOM 0 HB THR A 74 -11.505 6.402 -1.981 1.00 24.43 H new ATOM 0 HG1 THR A 74 -10.352 4.574 -1.071 1.00 74.14 H new ATOM 0 HG21 THR A 74 -10.334 4.804 -3.452 1.00 61.11 H new ATOM 0 HG22 THR A 74 -10.277 6.460 -4.102 1.00 61.11 H new ATOM 0 HG23 THR A 74 -8.845 5.768 -3.305 1.00 61.11 H new ATOM 1092 N ALA A 75 -10.506 8.802 -3.815 1.00 61.30 N ATOM 1093 CA ALA A 75 -11.248 9.712 -4.679 1.00 63.40 C ATOM 1094 C ALA A 75 -12.745 9.427 -4.620 1.00 24.22 C ATOM 1095 O ALA A 75 -13.558 10.346 -4.539 1.00 75.22 O ATOM 1096 CB ALA A 75 -10.745 9.607 -6.111 1.00 41.02 C ATOM 0 H ALA A 75 -9.834 8.211 -4.304 1.00 61.30 H new ATOM 0 HA ALA A 75 -11.084 10.728 -4.321 1.00 63.40 H new ATOM 0 HB1 ALA A 75 -11.308 10.292 -6.745 1.00 41.02 H new ATOM 0 HB2 ALA A 75 -9.687 9.867 -6.145 1.00 41.02 H new ATOM 0 HB3 ALA A 75 -10.879 8.587 -6.470 1.00 41.02 H new ATOM 1102 N GLY A 76 -13.101 8.146 -4.661 1.00 51.51 N ATOM 1103 CA GLY A 76 -14.500 7.764 -4.612 1.00 12.11 C ATOM 1104 C GLY A 76 -15.142 8.083 -3.276 1.00 63.31 C ATOM 1105 O GLY A 76 -16.300 8.494 -3.219 1.00 23.04 O ATOM 0 H GLY A 76 -12.446 7.367 -4.727 1.00 51.51 H new ATOM 0 HA2 GLY A 76 -15.042 8.280 -5.404 1.00 12.11 H new ATOM 0 HA3 GLY A 76 -14.589 6.696 -4.808 1.00 12.11 H new ATOM 1109 N ASN A 77 -14.388 7.891 -2.198 1.00 62.35 N ATOM 1110 CA ASN A 77 -14.891 8.158 -0.856 1.00 40.40 C ATOM 1111 C ASN A 77 -15.006 9.659 -0.608 1.00 15.33 C ATOM 1112 O ASN A 77 -16.098 10.179 -0.376 1.00 53.15 O ATOM 1113 CB ASN A 77 -13.972 7.526 0.191 1.00 1.11 C ATOM 1114 CG ASN A 77 -14.660 6.425 0.975 1.00 61.02 C ATOM 1115 OD1 ASN A 77 -15.460 6.693 1.872 1.00 64.34 O ATOM 1116 ND2 ASN A 77 -14.351 5.178 0.639 1.00 44.02 N ATOM 0 H ASN A 77 -13.427 7.552 -2.228 1.00 62.35 H new ATOM 0 HA ASN A 77 -15.884 7.716 -0.772 1.00 40.40 H new ATOM 0 HB2 ASN A 77 -13.089 7.120 -0.302 1.00 1.11 H new ATOM 0 HB3 ASN A 77 -13.626 8.297 0.880 1.00 1.11 H new ATOM 0 HD21 ASN A 77 -14.782 4.395 1.131 1.00 44.02 H new ATOM 0 HD22 ASN A 77 -13.682 5.003 -0.111 1.00 44.02 H new ATOM 1123 N VAL A 78 -13.872 10.351 -0.658 1.00 34.13 N ATOM 1124 CA VAL A 78 -13.846 11.792 -0.440 1.00 42.41 C ATOM 1125 C VAL A 78 -14.863 12.501 -1.327 1.00 74.10 C ATOM 1126 O VAL A 78 -15.395 13.550 -0.964 1.00 53.30 O ATOM 1127 CB VAL A 78 -12.447 12.376 -0.715 1.00 71.23 C ATOM 1128 CG1 VAL A 78 -11.394 11.647 0.105 1.00 65.35 C ATOM 1129 CG2 VAL A 78 -12.123 12.304 -2.200 1.00 10.22 C ATOM 0 H VAL A 78 -12.959 9.937 -0.848 1.00 34.13 H new ATOM 0 HA VAL A 78 -14.102 11.958 0.606 1.00 42.41 H new ATOM 0 HB VAL A 78 -12.444 13.424 -0.416 1.00 71.23 H new ATOM 0 HG11 VAL A 78 -10.412 12.073 -0.102 1.00 65.35 H new ATOM 0 HG12 VAL A 78 -11.620 11.755 1.166 1.00 65.35 H new ATOM 0 HG13 VAL A 78 -11.394 10.590 -0.160 1.00 65.35 H new ATOM 0 HG21 VAL A 78 -11.131 12.721 -2.377 1.00 10.22 H new ATOM 0 HG22 VAL A 78 -12.143 11.264 -2.527 1.00 10.22 H new ATOM 0 HG23 VAL A 78 -12.862 12.875 -2.762 1.00 10.22 H new ATOM 1139 N PHE A 79 -15.131 11.920 -2.492 1.00 44.10 N ATOM 1140 CA PHE A 79 -16.085 12.496 -3.432 1.00 41.13 C ATOM 1141 C PHE A 79 -17.434 12.734 -2.761 1.00 12.14 C ATOM 1142 O PHE A 79 -18.017 13.812 -2.879 1.00 22.40 O ATOM 1143 CB PHE A 79 -16.260 11.576 -4.642 1.00 71.20 C ATOM 1144 CG PHE A 79 -17.395 11.976 -5.540 1.00 74.13 C ATOM 1145 CD1 PHE A 79 -18.625 11.344 -5.448 1.00 51.30 C ATOM 1146 CD2 PHE A 79 -17.233 12.983 -6.478 1.00 4.55 C ATOM 1147 CE1 PHE A 79 -19.672 11.710 -6.273 1.00 10.41 C ATOM 1148 CE2 PHE A 79 -18.276 13.354 -7.305 1.00 1.13 C ATOM 1149 CZ PHE A 79 -19.497 12.716 -7.203 1.00 63.01 C ATOM 0 H PHE A 79 -14.701 11.051 -2.807 1.00 44.10 H new ATOM 0 HA PHE A 79 -15.692 13.456 -3.768 1.00 41.13 H new ATOM 0 HB2 PHE A 79 -15.336 11.569 -5.219 1.00 71.20 H new ATOM 0 HB3 PHE A 79 -16.426 10.557 -4.293 1.00 71.20 H new ATOM 0 HD1 PHE A 79 -18.767 10.556 -4.723 1.00 51.30 H new ATOM 0 HD2 PHE A 79 -16.280 13.484 -6.564 1.00 4.55 H new ATOM 0 HE1 PHE A 79 -20.626 11.210 -6.190 1.00 10.41 H new ATOM 0 HE2 PHE A 79 -18.137 14.142 -8.030 1.00 1.13 H new ATOM 0 HZ PHE A 79 -20.313 13.003 -7.849 1.00 63.01 H new ATOM 1159 N MET A 80 -17.925 11.720 -2.056 1.00 23.31 N ATOM 1160 CA MET A 80 -19.205 11.818 -1.365 1.00 0.34 C ATOM 1161 C MET A 80 -19.009 12.258 0.083 1.00 62.51 C ATOM 1162 O MET A 80 -19.949 12.706 0.739 1.00 2.14 O ATOM 1163 CB MET A 80 -19.937 10.476 -1.408 1.00 21.53 C ATOM 1164 CG MET A 80 -19.167 9.343 -0.748 1.00 74.41 C ATOM 1165 SD MET A 80 -20.249 8.143 0.054 1.00 3.43 S ATOM 1166 CE MET A 80 -20.249 6.824 -1.157 1.00 53.22 C ATOM 0 H MET A 80 -17.456 10.821 -1.948 1.00 23.31 H new ATOM 0 HA MET A 80 -19.808 12.568 -1.876 1.00 0.34 H new ATOM 0 HB2 MET A 80 -20.904 10.583 -0.916 1.00 21.53 H new ATOM 0 HB3 MET A 80 -20.136 10.213 -2.447 1.00 21.53 H new ATOM 0 HG2 MET A 80 -18.561 8.835 -1.498 1.00 74.41 H new ATOM 0 HG3 MET A 80 -18.480 9.757 -0.010 1.00 74.41 H new ATOM 0 HE1 MET A 80 -20.877 6.006 -0.804 1.00 53.22 H new ATOM 0 HE2 MET A 80 -20.640 7.199 -2.103 1.00 53.22 H new ATOM 0 HE3 MET A 80 -19.231 6.463 -1.302 1.00 53.22 H new ATOM 1176 N LYS A 81 -17.782 12.126 0.575 1.00 22.54 N ATOM 1177 CA LYS A 81 -17.461 12.509 1.945 1.00 12.40 C ATOM 1178 C LYS A 81 -17.448 14.027 2.096 1.00 53.22 C ATOM 1179 O LYS A 81 -18.176 14.585 2.917 1.00 13.31 O ATOM 1180 CB LYS A 81 -16.103 11.934 2.353 1.00 10.21 C ATOM 1181 CG LYS A 81 -16.046 11.476 3.800 1.00 13.42 C ATOM 1182 CD LYS A 81 -16.287 9.981 3.922 1.00 52.10 C ATOM 1183 CE LYS A 81 -17.692 9.605 3.478 1.00 75.11 C ATOM 1184 NZ LYS A 81 -18.135 8.313 4.072 1.00 1.24 N ATOM 0 H LYS A 81 -16.993 11.756 0.045 1.00 22.54 H new ATOM 0 HA LYS A 81 -18.232 12.102 2.599 1.00 12.40 H new ATOM 0 HB2 LYS A 81 -15.865 11.091 1.704 1.00 10.21 H new ATOM 0 HB3 LYS A 81 -15.334 12.689 2.189 1.00 10.21 H new ATOM 0 HG2 LYS A 81 -15.073 11.724 4.223 1.00 13.42 H new ATOM 0 HG3 LYS A 81 -16.793 12.015 4.383 1.00 13.42 H new ATOM 0 HD2 LYS A 81 -15.557 9.443 3.317 1.00 52.10 H new ATOM 0 HD3 LYS A 81 -16.135 9.670 4.956 1.00 52.10 H new ATOM 0 HE2 LYS A 81 -18.387 10.394 3.766 1.00 75.11 H new ATOM 0 HE3 LYS A 81 -17.722 9.534 2.391 1.00 75.11 H new ATOM 0 HZ1 LYS A 81 -19.097 8.092 3.745 1.00 1.24 H new ATOM 0 HZ2 LYS A 81 -17.487 7.555 3.777 1.00 1.24 H new ATOM 0 HZ3 LYS A 81 -18.131 8.388 5.109 1.00 1.24 H new ATOM 1198 N TYR A 82 -16.618 14.689 1.298 1.00 51.33 N ATOM 1199 CA TYR A 82 -16.510 16.143 1.343 1.00 33.45 C ATOM 1200 C TYR A 82 -16.886 16.759 -0.001 1.00 5.34 C ATOM 1201 O TYR A 82 -17.348 17.897 -0.067 1.00 15.21 O ATOM 1202 CB TYR A 82 -15.089 16.558 1.729 1.00 73.33 C ATOM 1203 CG TYR A 82 -14.502 15.734 2.852 1.00 5.12 C ATOM 1204 CD1 TYR A 82 -13.183 15.298 2.803 1.00 32.44 C ATOM 1205 CD2 TYR A 82 -15.264 15.391 3.962 1.00 52.43 C ATOM 1206 CE1 TYR A 82 -12.642 14.544 3.827 1.00 2.32 C ATOM 1207 CE2 TYR A 82 -14.731 14.640 4.991 1.00 61.23 C ATOM 1208 CZ TYR A 82 -13.419 14.218 4.919 1.00 55.43 C ATOM 1209 OH TYR A 82 -12.885 13.468 5.941 1.00 1.30 O ATOM 0 H TYR A 82 -16.010 14.242 0.612 1.00 51.33 H new ATOM 0 HA TYR A 82 -17.206 16.511 2.097 1.00 33.45 H new ATOM 0 HB2 TYR A 82 -14.445 16.475 0.854 1.00 73.33 H new ATOM 0 HB3 TYR A 82 -15.093 17.607 2.023 1.00 73.33 H new ATOM 0 HD1 TYR A 82 -12.571 15.553 1.951 1.00 32.44 H new ATOM 0 HD2 TYR A 82 -16.292 15.718 4.021 1.00 52.43 H new ATOM 0 HE1 TYR A 82 -11.616 14.212 3.772 1.00 2.32 H new ATOM 0 HE2 TYR A 82 -15.337 14.384 5.847 1.00 61.23 H new ATOM 0 HH TYR A 82 -11.907 13.531 5.917 1.00 1.30 H new ATOM 1219 N GLY A 83 -16.682 15.998 -1.071 1.00 73.44 N ATOM 1220 CA GLY A 83 -17.005 16.484 -2.400 1.00 5.30 C ATOM 1221 C GLY A 83 -16.405 17.848 -2.679 1.00 44.02 C ATOM 1222 O GLY A 83 -17.109 18.857 -2.662 1.00 45.35 O ATOM 0 H GLY A 83 -16.299 15.053 -1.042 1.00 73.44 H new ATOM 0 HA2 GLY A 83 -16.643 15.772 -3.142 1.00 5.30 H new ATOM 0 HA3 GLY A 83 -18.088 16.537 -2.511 1.00 5.30 H new ATOM 1226 N GLN A 84 -15.101 17.878 -2.935 1.00 4.12 N ATOM 1227 CA GLN A 84 -14.407 19.129 -3.216 1.00 45.11 C ATOM 1228 C GLN A 84 -14.696 20.167 -2.137 1.00 11.02 C ATOM 1229 O GLN A 84 -15.044 21.308 -2.438 1.00 14.01 O ATOM 1230 CB GLN A 84 -14.822 19.670 -4.585 1.00 44.43 C ATOM 1231 CG GLN A 84 -14.550 18.706 -5.729 1.00 1.14 C ATOM 1232 CD GLN A 84 -15.013 19.244 -7.068 1.00 61.12 C ATOM 1233 OE1 GLN A 84 -15.475 20.381 -7.168 1.00 2.14 O ATOM 1234 NE2 GLN A 84 -14.891 18.427 -8.108 1.00 54.43 N ATOM 0 H GLN A 84 -14.504 17.051 -2.954 1.00 4.12 H new ATOM 0 HA GLN A 84 -13.336 18.927 -3.222 1.00 45.11 H new ATOM 0 HB2 GLN A 84 -15.886 19.906 -4.566 1.00 44.43 H new ATOM 0 HB3 GLN A 84 -14.291 20.603 -4.774 1.00 44.43 H new ATOM 0 HG2 GLN A 84 -13.481 18.496 -5.776 1.00 1.14 H new ATOM 0 HG3 GLN A 84 -15.052 17.760 -5.529 1.00 1.14 H new ATOM 0 HE21 GLN A 84 -14.503 17.493 -7.980 1.00 54.43 H new ATOM 0 HE22 GLN A 84 -15.186 18.734 -9.035 1.00 54.43 H new ATOM 1243 N GLU A 85 -14.550 19.762 -0.879 1.00 3.30 N ATOM 1244 CA GLU A 85 -14.797 20.658 0.245 1.00 51.13 C ATOM 1245 C GLU A 85 -13.999 20.225 1.471 1.00 12.44 C ATOM 1246 O GLU A 85 -14.570 19.829 2.488 1.00 50.11 O ATOM 1247 CB GLU A 85 -16.290 20.692 0.580 1.00 63.04 C ATOM 1248 CG GLU A 85 -16.740 21.993 1.223 1.00 62.12 C ATOM 1249 CD GLU A 85 -16.804 23.141 0.234 1.00 24.02 C ATOM 1250 OE1 GLU A 85 -17.119 22.889 -0.948 1.00 21.54 O ATOM 1251 OE2 GLU A 85 -16.538 24.291 0.642 1.00 52.03 O ATOM 0 H GLU A 85 -14.262 18.820 -0.613 1.00 3.30 H new ATOM 0 HA GLU A 85 -14.474 21.658 -0.043 1.00 51.13 H new ATOM 0 HB2 GLU A 85 -16.862 20.531 -0.333 1.00 63.04 H new ATOM 0 HB3 GLU A 85 -16.522 19.865 1.251 1.00 63.04 H new ATOM 0 HG2 GLU A 85 -17.723 21.851 1.673 1.00 62.12 H new ATOM 0 HG3 GLU A 85 -16.054 22.251 2.030 1.00 62.12 H new ATOM 1258 N ILE A 86 -12.677 20.304 1.368 1.00 62.15 N ATOM 1259 CA ILE A 86 -11.801 19.921 2.468 1.00 44.23 C ATOM 1260 C ILE A 86 -10.584 20.837 2.545 1.00 22.14 C ATOM 1261 O ILE A 86 -10.016 21.220 1.522 1.00 12.03 O ATOM 1262 CB ILE A 86 -11.324 18.463 2.327 1.00 41.51 C ATOM 1263 CG1 ILE A 86 -10.578 18.024 3.588 1.00 33.45 C ATOM 1264 CG2 ILE A 86 -10.436 18.313 1.101 1.00 71.34 C ATOM 1265 CD1 ILE A 86 -11.476 17.862 4.795 1.00 2.04 C ATOM 0 H ILE A 86 -12.189 20.630 0.534 1.00 62.15 H new ATOM 0 HA ILE A 86 -12.384 20.017 3.384 1.00 44.23 H new ATOM 0 HB ILE A 86 -12.196 17.821 2.201 1.00 41.51 H new ATOM 0 HG12 ILE A 86 -10.073 17.078 3.391 1.00 33.45 H new ATOM 0 HG13 ILE A 86 -9.804 18.757 3.816 1.00 33.45 H new ATOM 0 HG21 ILE A 86 -10.107 17.277 1.015 1.00 71.34 H new ATOM 0 HG22 ILE A 86 -10.997 18.591 0.209 1.00 71.34 H new ATOM 0 HG23 ILE A 86 -9.567 18.963 1.200 1.00 71.34 H new ATOM 0 HD11 ILE A 86 -10.880 17.549 5.652 1.00 2.04 H new ATOM 0 HD12 ILE A 86 -11.961 18.812 5.018 1.00 2.04 H new ATOM 0 HD13 ILE A 86 -12.234 17.108 4.586 1.00 2.04 H new ATOM 1277 N ARG A 87 -10.187 21.183 3.766 1.00 73.31 N ATOM 1278 CA ARG A 87 -9.037 22.053 3.978 1.00 40.05 C ATOM 1279 C ARG A 87 -7.850 21.263 4.520 1.00 21.33 C ATOM 1280 O ARG A 87 -8.021 20.301 5.271 1.00 53.31 O ATOM 1281 CB ARG A 87 -9.396 23.183 4.945 1.00 73.45 C ATOM 1282 CG ARG A 87 -9.461 24.551 4.286 1.00 72.23 C ATOM 1283 CD ARG A 87 -8.130 25.279 4.381 1.00 3.05 C ATOM 1284 NE ARG A 87 -8.209 26.455 5.244 1.00 35.54 N ATOM 1285 CZ ARG A 87 -7.343 27.460 5.198 1.00 11.41 C ATOM 1286 NH1 ARG A 87 -6.337 27.434 4.335 1.00 71.11 N ATOM 1287 NH2 ARG A 87 -7.482 28.496 6.016 1.00 35.21 N ATOM 0 H ARG A 87 -10.645 20.874 4.623 1.00 73.31 H new ATOM 0 HA ARG A 87 -8.757 22.483 3.016 1.00 40.05 H new ATOM 0 HB2 ARG A 87 -10.360 22.964 5.404 1.00 73.45 H new ATOM 0 HB3 ARG A 87 -8.659 23.210 5.748 1.00 73.45 H new ATOM 0 HG2 ARG A 87 -9.741 24.439 3.239 1.00 72.23 H new ATOM 0 HG3 ARG A 87 -10.239 25.149 4.762 1.00 72.23 H new ATOM 0 HD2 ARG A 87 -7.371 24.598 4.765 1.00 3.05 H new ATOM 0 HD3 ARG A 87 -7.811 25.582 3.384 1.00 3.05 H new ATOM 0 HE ARG A 87 -8.972 26.507 5.919 1.00 35.54 H new ATOM 0 HH11 ARG A 87 -6.227 26.640 3.704 1.00 71.11 H new ATOM 0 HH12 ARG A 87 -5.673 28.208 4.302 1.00 71.11 H new ATOM 0 HH21 ARG A 87 -8.255 28.521 6.681 1.00 35.21 H new ATOM 0 HH22 ARG A 87 -6.816 29.268 5.980 1.00 35.21 H new ATOM 1301 N LEU A 88 -6.647 21.674 4.135 1.00 23.34 N ATOM 1302 CA LEU A 88 -5.430 21.004 4.583 1.00 52.22 C ATOM 1303 C LEU A 88 -4.916 21.619 5.880 1.00 3.42 C ATOM 1304 O LEU A 88 -4.667 22.823 5.952 1.00 53.42 O ATOM 1305 CB LEU A 88 -4.351 21.089 3.502 1.00 71.31 C ATOM 1306 CG LEU A 88 -3.871 19.756 2.927 1.00 73.42 C ATOM 1307 CD1 LEU A 88 -3.115 19.977 1.626 1.00 72.41 C ATOM 1308 CD2 LEU A 88 -2.998 19.023 3.935 1.00 14.03 C ATOM 0 H LEU A 88 -6.488 22.467 3.514 1.00 23.34 H new ATOM 0 HA LEU A 88 -5.668 19.957 4.769 1.00 52.22 H new ATOM 0 HB2 LEU A 88 -4.733 21.699 2.683 1.00 71.31 H new ATOM 0 HB3 LEU A 88 -3.490 21.614 3.916 1.00 71.31 H new ATOM 0 HG LEU A 88 -4.744 19.138 2.716 1.00 73.42 H new ATOM 0 HD11 LEU A 88 -2.781 19.017 1.232 1.00 72.41 H new ATOM 0 HD12 LEU A 88 -3.771 20.459 0.901 1.00 72.41 H new ATOM 0 HD13 LEU A 88 -2.250 20.614 1.811 1.00 72.41 H new ATOM 0 HD21 LEU A 88 -2.666 18.077 3.508 1.00 14.03 H new ATOM 0 HD22 LEU A 88 -2.130 19.636 4.178 1.00 14.03 H new ATOM 0 HD23 LEU A 88 -3.572 18.831 4.841 1.00 14.03 H new ATOM 1320 N ILE A 89 -4.756 20.785 6.902 1.00 13.20 N ATOM 1321 CA ILE A 89 -4.268 21.247 8.195 1.00 20.15 C ATOM 1322 C ILE A 89 -3.168 20.333 8.726 1.00 51.52 C ATOM 1323 O ILE A 89 -3.299 19.109 8.746 1.00 54.40 O ATOM 1324 CB ILE A 89 -5.404 21.320 9.233 1.00 70.42 C ATOM 1325 CG1 ILE A 89 -4.902 21.964 10.527 1.00 72.13 C ATOM 1326 CG2 ILE A 89 -5.960 19.930 9.507 1.00 11.45 C ATOM 1327 CD1 ILE A 89 -5.022 23.472 10.537 1.00 74.21 C ATOM 0 H ILE A 89 -4.957 19.786 6.859 1.00 13.20 H new ATOM 0 HA ILE A 89 -3.864 22.247 8.040 1.00 20.15 H new ATOM 0 HB ILE A 89 -6.206 21.938 8.830 1.00 70.42 H new ATOM 0 HG12 ILE A 89 -5.464 21.557 11.368 1.00 72.13 H new ATOM 0 HG13 ILE A 89 -3.858 21.690 10.679 1.00 72.13 H new ATOM 0 HG21 ILE A 89 -6.762 19.997 10.242 1.00 11.45 H new ATOM 0 HG22 ILE A 89 -6.350 19.505 8.582 1.00 11.45 H new ATOM 0 HG23 ILE A 89 -5.166 19.290 9.893 1.00 11.45 H new ATOM 0 HD11 ILE A 89 -4.648 23.861 11.484 1.00 74.21 H new ATOM 0 HD12 ILE A 89 -4.437 23.889 9.717 1.00 74.21 H new ATOM 0 HD13 ILE A 89 -6.068 23.755 10.417 1.00 74.21 H new ATOM 1339 N PRO A 90 -2.057 20.941 9.168 1.00 62.51 N ATOM 1340 CA PRO A 90 -0.913 20.201 9.709 1.00 22.03 C ATOM 1341 C PRO A 90 -1.221 19.565 11.061 1.00 64.15 C ATOM 1342 O PRO A 90 -0.820 20.079 12.105 1.00 42.11 O ATOM 1343 CB PRO A 90 0.167 21.276 9.858 1.00 55.21 C ATOM 1344 CG PRO A 90 -0.588 22.552 10.004 1.00 1.51 C ATOM 1345 CD PRO A 90 -1.832 22.396 9.174 1.00 63.22 C ATOM 0 HA PRO A 90 -0.622 19.372 9.064 1.00 22.03 H new ATOM 0 HB2 PRO A 90 0.797 21.087 10.727 1.00 55.21 H new ATOM 0 HB3 PRO A 90 0.823 21.301 8.988 1.00 55.21 H new ATOM 0 HG2 PRO A 90 -0.837 22.740 11.048 1.00 1.51 H new ATOM 0 HG3 PRO A 90 0.007 23.398 9.660 1.00 1.51 H new ATOM 0 HD2 PRO A 90 -2.676 22.931 9.610 1.00 63.22 H new ATOM 0 HD3 PRO A 90 -1.694 22.786 8.165 1.00 63.22 H new ATOM 1353 N ARG A 91 -1.934 18.444 11.033 1.00 60.11 N ATOM 1354 CA ARG A 91 -2.296 17.738 12.256 1.00 1.43 C ATOM 1355 C ARG A 91 -1.280 16.645 12.574 1.00 73.20 C ATOM 1356 O ARG A 91 -0.532 16.206 11.701 1.00 45.45 O ATOM 1357 CB ARG A 91 -3.693 17.129 12.125 1.00 41.13 C ATOM 1358 CG ARG A 91 -4.530 17.246 13.388 1.00 51.41 C ATOM 1359 CD ARG A 91 -5.106 15.901 13.801 1.00 14.22 C ATOM 1360 NE ARG A 91 -6.343 16.047 14.565 1.00 61.25 N ATOM 1361 CZ ARG A 91 -6.974 15.030 15.142 1.00 53.45 C ATOM 1362 NH1 ARG A 91 -6.488 13.801 15.043 1.00 44.13 N ATOM 1363 NH2 ARG A 91 -8.095 15.243 15.820 1.00 61.24 N ATOM 0 H ARG A 91 -2.272 18.005 10.177 1.00 60.11 H new ATOM 0 HA ARG A 91 -2.297 18.458 13.074 1.00 1.43 H new ATOM 0 HB2 ARG A 91 -4.218 17.619 11.305 1.00 41.13 H new ATOM 0 HB3 ARG A 91 -3.598 16.076 11.859 1.00 41.13 H new ATOM 0 HG2 ARG A 91 -3.917 17.644 14.196 1.00 51.41 H new ATOM 0 HG3 ARG A 91 -5.341 17.955 13.224 1.00 51.41 H new ATOM 0 HD2 ARG A 91 -5.298 15.300 12.912 1.00 14.22 H new ATOM 0 HD3 ARG A 91 -4.372 15.360 14.399 1.00 14.22 H new ATOM 0 HE ARG A 91 -6.744 16.980 14.661 1.00 61.25 H new ATOM 0 HH11 ARG A 91 -5.627 13.633 14.523 1.00 44.13 H new ATOM 0 HH12 ARG A 91 -6.975 13.023 15.487 1.00 44.13 H new ATOM 0 HH21 ARG A 91 -8.472 16.187 15.898 1.00 61.24 H new ATOM 0 HH22 ARG A 91 -8.579 14.462 16.263 1.00 61.24 H new ATOM 1377 N ASP A 92 -1.260 16.210 13.829 1.00 74.31 N ATOM 1378 CA ASP A 92 -0.337 15.167 14.262 1.00 14.12 C ATOM 1379 C ASP A 92 1.110 15.611 14.075 1.00 61.33 C ATOM 1380 O ASP A 92 2.007 14.783 13.912 1.00 41.30 O ATOM 1381 CB ASP A 92 -0.593 13.875 13.485 1.00 64.12 C ATOM 1382 CG ASP A 92 -0.667 12.660 14.389 1.00 15.41 C ATOM 1383 OD1 ASP A 92 0.401 12.134 14.766 1.00 73.35 O ATOM 1384 OD2 ASP A 92 -1.794 12.237 14.721 1.00 12.12 O ATOM 0 H ASP A 92 -1.872 16.563 14.564 1.00 74.31 H new ATOM 0 HA ASP A 92 -0.507 14.982 15.323 1.00 14.12 H new ATOM 0 HB2 ASP A 92 -1.526 13.968 12.929 1.00 64.12 H new ATOM 0 HB3 ASP A 92 0.202 13.731 12.753 1.00 64.12 H new ATOM 1389 N ARG A 93 1.330 16.921 14.098 1.00 52.24 N ATOM 1390 CA ARG A 93 2.668 17.475 13.928 1.00 72.32 C ATOM 1391 C ARG A 93 2.864 18.703 14.812 1.00 64.21 C ATOM 1392 O ARG A 93 3.692 18.699 15.723 1.00 22.21 O ATOM 1393 CB ARG A 93 2.908 17.844 12.463 1.00 51.01 C ATOM 1394 CG ARG A 93 4.232 17.335 11.916 1.00 55.34 C ATOM 1395 CD ARG A 93 4.339 17.563 10.416 1.00 52.41 C ATOM 1396 NE ARG A 93 5.650 18.082 10.033 1.00 35.45 N ATOM 1397 CZ ARG A 93 6.037 19.333 10.251 1.00 11.40 C ATOM 1398 NH1 ARG A 93 5.218 20.190 10.846 1.00 43.34 N ATOM 1399 NH2 ARG A 93 7.246 19.730 9.874 1.00 13.20 N ATOM 0 H ARG A 93 0.599 17.619 14.233 1.00 52.24 H new ATOM 0 HA ARG A 93 3.390 16.715 14.227 1.00 72.32 H new ATOM 0 HB2 ARG A 93 2.096 17.441 11.858 1.00 51.01 H new ATOM 0 HB3 ARG A 93 2.875 18.929 12.360 1.00 51.01 H new ATOM 0 HG2 ARG A 93 5.055 17.841 12.422 1.00 55.34 H new ATOM 0 HG3 ARG A 93 4.331 16.271 12.132 1.00 55.34 H new ATOM 0 HD2 ARG A 93 4.154 16.625 9.893 1.00 52.41 H new ATOM 0 HD3 ARG A 93 3.566 18.263 10.100 1.00 52.41 H new ATOM 0 HE ARG A 93 6.304 17.448 9.573 1.00 35.45 H new ATOM 0 HH11 ARG A 93 4.288 19.888 11.137 1.00 43.34 H new ATOM 0 HH12 ARG A 93 5.518 21.151 11.012 1.00 43.34 H new ATOM 0 HH21 ARG A 93 7.879 19.074 9.416 1.00 13.20 H new ATOM 0 HH22 ARG A 93 7.542 20.691 10.042 1.00 13.20 H new ATOM 1413 N VAL A 94 2.098 19.753 14.536 1.00 13.10 N ATOM 1414 CA VAL A 94 2.187 20.988 15.306 1.00 31.01 C ATOM 1415 C VAL A 94 1.227 20.968 16.490 1.00 34.20 C ATOM 1416 O VAL A 94 1.542 21.471 17.567 1.00 1.33 O ATOM 1417 CB VAL A 94 1.880 22.218 14.431 1.00 3.25 C ATOM 1418 CG1 VAL A 94 1.982 23.495 15.251 1.00 3.34 C ATOM 1419 CG2 VAL A 94 2.818 22.267 13.234 1.00 13.13 C ATOM 0 H VAL A 94 1.408 19.773 13.785 1.00 13.10 H new ATOM 0 HA VAL A 94 3.211 21.059 15.673 1.00 31.01 H new ATOM 0 HB VAL A 94 0.859 22.133 14.060 1.00 3.25 H new ATOM 0 HG11 VAL A 94 1.762 24.353 14.616 1.00 3.34 H new ATOM 0 HG12 VAL A 94 1.266 23.458 16.072 1.00 3.34 H new ATOM 0 HG13 VAL A 94 2.991 23.590 15.653 1.00 3.34 H new ATOM 0 HG21 VAL A 94 2.587 23.142 12.627 1.00 13.13 H new ATOM 0 HG22 VAL A 94 3.849 22.329 13.582 1.00 13.13 H new ATOM 0 HG23 VAL A 94 2.691 21.365 12.635 1.00 13.13 H new ATOM 1429 N GLY A 95 0.052 20.381 16.282 1.00 15.23 N ATOM 1430 CA GLY A 95 -0.937 20.306 17.342 1.00 75.44 C ATOM 1431 C GLY A 95 -2.358 20.338 16.812 1.00 5.34 C ATOM 1432 O GLY A 95 -3.297 20.628 17.553 1.00 4.15 O ATOM 0 H GLY A 95 -0.232 19.956 15.399 1.00 15.23 H new ATOM 0 HA2 GLY A 95 -0.786 19.389 17.912 1.00 75.44 H new ATOM 0 HA3 GLY A 95 -0.791 21.138 18.031 1.00 75.44 H new