USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 714 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 22 CYS SG : rot -48:sc= -1.18! USER MOD Set 1.2: A 78 MET CE :methyl 176:sc= -0.59 (180deg=-0.366) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= 0.433 (180deg=0.197) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.018) USER MOD Single : A 32 SER OG : rot 9:sc= -0.101 USER MOD Single : A 34 CYS SG : rot -29:sc= -2.74! USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= -0.834 (180deg=-2.31!) USER MOD Single : A 37 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.3) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.657 F(o=-1.5!,f=-0.66) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 54 SER OG : rot 88:sc= -0.254 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000794) USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= 0.713 (180deg=0.114) USER MOD Single : A 77 THR OG1 : rot 34:sc= 0.068 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0.18 (180deg=0.0323) USER MOD Single : A 88 SER OG : rot -80:sc= -1.2 USER MOD Single : A 89 ASN : amide:sc= -0.186 K(o=-0.19,f=-9.1!) USER MOD Single : A 90 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.95!) USER MOD Single : A 93 MET CE :methyl 142:sc= -0.778 (180deg=-1.45) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= 0.372 (180deg=0.19) USER MOD Single : A 99 HIS : no HE2:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.894 -2.886 3.292 1.00 0.00 N ATOM 84 CA PHE A 11 11.510 -2.709 1.873 1.00 0.00 C ATOM 85 C PHE A 11 10.000 -2.974 1.635 1.00 0.00 C ATOM 86 O PHE A 11 9.596 -3.613 0.666 1.00 0.00 O ATOM 87 CB PHE A 11 12.440 -3.496 0.890 1.00 0.00 C ATOM 88 CG PHE A 11 12.734 -4.968 1.204 1.00 0.00 C ATOM 89 CD1 PHE A 11 11.708 -5.896 1.408 1.00 0.00 C ATOM 90 CD2 PHE A 11 14.052 -5.433 1.258 1.00 0.00 C ATOM 91 CE1 PHE A 11 11.991 -7.228 1.656 1.00 0.00 C ATOM 92 CE2 PHE A 11 14.326 -6.765 1.497 1.00 0.00 C ATOM 93 CZ PHE A 11 13.297 -7.662 1.700 1.00 0.00 C ATOM 0 HA PHE A 11 11.669 -1.657 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.993 -3.449 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 11 13.393 -2.969 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.679 -5.569 1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.867 -4.740 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.185 -7.929 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.350 -7.106 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.516 -8.702 1.893 1.00 0.00 H new ATOM 103 N VAL A 12 9.174 -2.423 2.533 1.00 0.00 N ATOM 104 CA VAL A 12 7.709 -2.384 2.407 1.00 0.00 C ATOM 105 C VAL A 12 7.257 -0.962 2.758 1.00 0.00 C ATOM 106 O VAL A 12 7.760 -0.387 3.728 1.00 0.00 O ATOM 107 CB VAL A 12 7.002 -3.420 3.379 1.00 0.00 C ATOM 108 CG1 VAL A 12 5.448 -3.258 3.362 1.00 0.00 C ATOM 109 CG2 VAL A 12 7.405 -4.880 3.031 1.00 0.00 C ATOM 0 H VAL A 12 9.512 -1.981 3.388 1.00 0.00 H new ATOM 0 HA VAL A 12 7.429 -2.656 1.390 1.00 0.00 H new ATOM 0 HB VAL A 12 7.347 -3.202 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.999 -3.984 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.184 -2.250 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.076 -3.426 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.906 -5.568 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.108 -5.105 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.485 -4.992 3.129 1.00 0.00 H new ATOM 119 N VAL A 13 6.366 -0.371 1.948 1.00 0.00 N ATOM 120 CA VAL A 13 5.705 0.908 2.292 1.00 0.00 C ATOM 121 C VAL A 13 4.255 0.675 2.714 1.00 0.00 C ATOM 122 O VAL A 13 3.700 -0.408 2.515 1.00 0.00 O ATOM 123 CB VAL A 13 5.738 1.955 1.114 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.179 2.381 0.800 1.00 0.00 C ATOM 125 CG2 VAL A 13 5.020 1.433 -0.157 1.00 0.00 C ATOM 0 H VAL A 13 6.083 -0.755 1.047 1.00 0.00 H new ATOM 0 HA VAL A 13 6.274 1.324 3.123 1.00 0.00 H new ATOM 0 HB VAL A 13 5.186 2.833 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.175 3.104 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.625 2.835 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.761 1.507 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.070 2.190 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.508 0.521 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.977 1.220 0.076 1.00 0.00 H new ATOM 135 N LYS A 14 3.649 1.723 3.276 1.00 0.00 N ATOM 136 CA LYS A 14 2.254 1.743 3.687 1.00 0.00 C ATOM 137 C LYS A 14 1.600 2.954 3.033 1.00 0.00 C ATOM 138 O LYS A 14 2.082 4.073 3.185 1.00 0.00 O ATOM 139 CB LYS A 14 2.152 1.836 5.219 1.00 0.00 C ATOM 140 CG LYS A 14 0.722 1.763 5.775 1.00 0.00 C ATOM 141 CD LYS A 14 0.710 1.828 7.313 1.00 0.00 C ATOM 142 CE LYS A 14 -0.672 1.549 7.906 1.00 0.00 C ATOM 143 NZ LYS A 14 -0.630 1.536 9.381 1.00 0.00 N ATOM 0 H LYS A 14 4.133 2.602 3.460 1.00 0.00 H new ATOM 0 HA LYS A 14 1.750 0.828 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.739 1.029 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.605 2.773 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.131 2.585 5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.249 0.838 5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.423 1.105 7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.046 2.814 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.376 2.309 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.039 0.589 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.422 0.969 9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.269 1.120 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.707 2.509 9.739 1.00 0.00 H new ATOM 157 N VAL A 15 0.510 2.722 2.317 1.00 0.00 N ATOM 158 CA VAL A 15 -0.133 3.730 1.476 1.00 0.00 C ATOM 159 C VAL A 15 -1.489 4.095 2.078 1.00 0.00 C ATOM 160 O VAL A 15 -2.337 3.231 2.256 1.00 0.00 O ATOM 161 CB VAL A 15 -0.311 3.195 0.017 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.854 4.302 -0.906 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.019 2.615 -0.514 1.00 0.00 C ATOM 0 H VAL A 15 0.038 1.818 2.301 1.00 0.00 H new ATOM 0 HA VAL A 15 0.497 4.619 1.435 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.044 2.388 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.970 3.909 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.821 4.643 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.156 5.139 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.876 2.248 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.781 3.394 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.339 1.794 0.127 1.00 0.00 H new ATOM 173 N ARG A 16 -1.676 5.380 2.354 1.00 0.00 N ATOM 174 CA ARG A 16 -2.855 5.912 3.056 1.00 0.00 C ATOM 175 C ARG A 16 -3.443 7.049 2.215 1.00 0.00 C ATOM 176 O ARG A 16 -2.706 7.739 1.513 1.00 0.00 O ATOM 177 CB ARG A 16 -2.417 6.386 4.466 1.00 0.00 C ATOM 178 CG ARG A 16 -3.544 6.864 5.408 1.00 0.00 C ATOM 179 CD ARG A 16 -3.001 7.218 6.807 1.00 0.00 C ATOM 180 NE ARG A 16 -4.072 7.529 7.771 1.00 0.00 N ATOM 181 CZ ARG A 16 -3.992 8.417 8.771 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.928 9.215 8.901 1.00 0.00 N ATOM 183 NH2 ARG A 16 -5.003 8.526 9.619 1.00 0.00 N ATOM 0 H ARG A 16 -1.004 6.102 2.094 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.628 5.154 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.888 5.567 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.702 7.200 4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.035 7.736 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.300 6.084 5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.409 6.384 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.331 8.074 6.726 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.952 7.023 7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.160 9.154 8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.884 9.885 9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.829 7.938 9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.956 9.198 10.385 1.00 0.00 H new ATOM 197 N GLY A 17 -4.769 7.219 2.260 1.00 0.00 N ATOM 198 CA GLY A 17 -5.459 8.215 1.423 1.00 0.00 C ATOM 199 C GLY A 17 -5.888 7.645 0.073 1.00 0.00 C ATOM 200 O GLY A 17 -6.083 8.386 -0.899 1.00 0.00 O ATOM 0 H GLY A 17 -5.388 6.681 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.336 8.586 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.800 9.068 1.261 1.00 0.00 H new ATOM 204 N LEU A 18 -6.028 6.311 0.023 1.00 0.00 N ATOM 205 CA LEU A 18 -6.522 5.592 -1.161 1.00 0.00 C ATOM 206 C LEU A 18 -8.059 5.683 -1.222 1.00 0.00 C ATOM 207 O LEU A 18 -8.711 5.567 -0.180 1.00 0.00 O ATOM 208 CB LEU A 18 -6.091 4.103 -1.107 1.00 0.00 C ATOM 209 CG LEU A 18 -4.558 3.849 -1.187 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.225 2.357 -0.967 1.00 0.00 C ATOM 211 CD2 LEU A 18 -3.990 4.371 -2.530 1.00 0.00 C ATOM 0 H LEU A 18 -5.801 5.699 0.806 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.095 6.051 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.467 3.667 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.573 3.573 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.077 4.405 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.146 2.212 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.577 2.047 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.716 1.758 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.917 4.185 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.478 3.854 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.176 5.442 -2.612 1.00 0.00 H new ATOM 223 N PRO A 19 -8.662 5.929 -2.429 1.00 0.00 N ATOM 224 CA PRO A 19 -10.119 5.804 -2.628 1.00 0.00 C ATOM 225 C PRO A 19 -10.577 4.329 -2.503 1.00 0.00 C ATOM 226 O PRO A 19 -9.935 3.413 -3.030 1.00 0.00 O ATOM 227 CB PRO A 19 -10.351 6.366 -4.061 1.00 0.00 C ATOM 228 CG PRO A 19 -9.028 6.230 -4.752 1.00 0.00 C ATOM 229 CD PRO A 19 -7.973 6.374 -3.674 1.00 0.00 C ATOM 0 HA PRO A 19 -10.697 6.343 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.128 5.807 -4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.674 7.407 -4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.946 5.264 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.908 6.995 -5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.099 5.759 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.626 7.404 -3.591 1.00 0.00 H new ATOM 237 N TRP A 20 -11.692 4.132 -1.782 1.00 0.00 N ATOM 238 CA TRP A 20 -12.339 2.815 -1.620 1.00 0.00 C ATOM 239 C TRP A 20 -12.777 2.260 -2.995 1.00 0.00 C ATOM 240 O TRP A 20 -12.833 1.044 -3.206 1.00 0.00 O ATOM 241 CB TRP A 20 -13.552 2.918 -0.648 1.00 0.00 C ATOM 242 CG TRP A 20 -14.730 3.721 -1.172 1.00 0.00 C ATOM 243 CD1 TRP A 20 -15.879 3.223 -1.727 1.00 0.00 C ATOM 244 CD2 TRP A 20 -14.867 5.155 -1.199 1.00 0.00 C ATOM 245 NE1 TRP A 20 -16.703 4.245 -2.113 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.110 5.437 -1.799 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.059 6.228 -0.792 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -16.567 6.735 -1.985 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -14.518 7.518 -0.977 1.00 0.00 C ATOM 250 CH2 TRP A 20 -15.760 7.760 -1.577 1.00 0.00 C ATOM 0 H TRP A 20 -12.175 4.885 -1.291 1.00 0.00 H new ATOM 0 HA TRP A 20 -11.618 2.122 -1.186 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -13.895 1.911 -0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -13.213 3.367 0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -16.103 2.173 -1.843 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -17.612 4.136 -2.562 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -13.094 6.048 -0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -17.529 6.928 -2.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -13.911 8.351 -0.655 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.087 8.779 -1.721 1.00 0.00 H new ATOM 261 N SER A 21 -13.045 3.195 -3.930 1.00 0.00 N ATOM 262 CA SER A 21 -13.555 2.903 -5.276 1.00 0.00 C ATOM 263 C SER A 21 -12.449 2.410 -6.250 1.00 0.00 C ATOM 264 O SER A 21 -12.744 2.136 -7.424 1.00 0.00 O ATOM 265 CB SER A 21 -14.218 4.185 -5.829 1.00 0.00 C ATOM 266 OG SER A 21 -15.124 4.749 -4.888 1.00 0.00 O ATOM 0 H SER A 21 -12.909 4.192 -3.762 1.00 0.00 H new ATOM 0 HA SER A 21 -14.276 2.089 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.449 4.916 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.748 3.953 -6.753 1.00 0.00 H new ATOM 0 HG SER A 21 -15.526 5.559 -5.266 1.00 0.00 H new ATOM 272 N CYS A 22 -11.189 2.268 -5.765 1.00 0.00 N ATOM 273 CA CYS A 22 -10.045 1.840 -6.604 1.00 0.00 C ATOM 274 C CYS A 22 -9.480 0.535 -6.048 1.00 0.00 C ATOM 275 O CYS A 22 -9.590 0.261 -4.841 1.00 0.00 O ATOM 276 CB CYS A 22 -8.923 2.911 -6.651 1.00 0.00 C ATOM 277 SG CYS A 22 -7.934 3.031 -5.140 1.00 0.00 S ATOM 0 H CYS A 22 -10.941 2.445 -4.792 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.408 1.699 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.260 2.688 -7.487 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.374 3.883 -6.853 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.723 3.078 -4.108 1.00 0.00 H new ATOM 283 N SER A 23 -8.879 -0.264 -6.935 1.00 0.00 N ATOM 284 CA SER A 23 -8.251 -1.551 -6.594 1.00 0.00 C ATOM 285 C SER A 23 -6.730 -1.486 -6.883 1.00 0.00 C ATOM 286 O SER A 23 -6.177 -0.397 -7.116 1.00 0.00 O ATOM 287 CB SER A 23 -8.948 -2.688 -7.392 1.00 0.00 C ATOM 288 OG SER A 23 -10.347 -2.679 -7.175 1.00 0.00 O ATOM 0 H SER A 23 -8.812 -0.034 -7.927 1.00 0.00 H new ATOM 0 HA SER A 23 -8.372 -1.762 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.741 -2.570 -8.456 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.537 -3.652 -7.092 1.00 0.00 H new ATOM 0 HG SER A 23 -10.762 -3.402 -7.689 1.00 0.00 H new ATOM 294 N ALA A 24 -6.075 -2.666 -6.848 1.00 0.00 N ATOM 295 CA ALA A 24 -4.611 -2.824 -6.973 1.00 0.00 C ATOM 296 C ALA A 24 -4.018 -2.125 -8.224 1.00 0.00 C ATOM 297 O ALA A 24 -2.923 -1.559 -8.147 1.00 0.00 O ATOM 298 CB ALA A 24 -4.258 -4.321 -6.962 1.00 0.00 C ATOM 0 H ALA A 24 -6.561 -3.555 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.157 -2.326 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.179 -4.441 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.594 -4.767 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.751 -4.817 -7.798 1.00 0.00 H new ATOM 304 N ASP A 25 -4.740 -2.195 -9.368 1.00 0.00 N ATOM 305 CA ASP A 25 -4.328 -1.562 -10.649 1.00 0.00 C ATOM 306 C ASP A 25 -3.962 -0.080 -10.493 1.00 0.00 C ATOM 307 O ASP A 25 -2.856 0.311 -10.846 1.00 0.00 O ATOM 308 CB ASP A 25 -5.451 -1.692 -11.713 1.00 0.00 C ATOM 309 CG ASP A 25 -5.716 -3.142 -12.126 1.00 0.00 C ATOM 310 OD1 ASP A 25 -6.316 -3.900 -11.329 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.316 -3.548 -13.246 1.00 0.00 O ATOM 0 H ASP A 25 -5.628 -2.693 -9.431 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.436 -2.097 -10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.370 -1.258 -11.319 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.178 -1.113 -12.595 1.00 0.00 H new ATOM 316 N GLU A 26 -4.891 0.723 -9.941 1.00 0.00 N ATOM 317 CA GLU A 26 -4.743 2.198 -9.871 1.00 0.00 C ATOM 318 C GLU A 26 -3.611 2.611 -8.914 1.00 0.00 C ATOM 319 O GLU A 26 -2.926 3.613 -9.151 1.00 0.00 O ATOM 320 CB GLU A 26 -6.093 2.848 -9.460 1.00 0.00 C ATOM 321 CG GLU A 26 -7.280 2.520 -10.395 1.00 0.00 C ATOM 322 CD GLU A 26 -7.042 2.921 -11.865 1.00 0.00 C ATOM 323 OE1 GLU A 26 -6.529 2.093 -12.653 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.386 4.058 -12.254 1.00 0.00 O ATOM 0 H GLU A 26 -5.759 0.377 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.468 2.560 -10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.344 2.524 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.964 3.930 -9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.483 1.450 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.171 3.030 -10.029 1.00 0.00 H new ATOM 331 N VAL A 27 -3.424 1.821 -7.844 1.00 0.00 N ATOM 332 CA VAL A 27 -2.344 2.037 -6.864 1.00 0.00 C ATOM 333 C VAL A 27 -0.980 1.711 -7.507 1.00 0.00 C ATOM 334 O VAL A 27 -0.008 2.430 -7.307 1.00 0.00 O ATOM 335 CB VAL A 27 -2.577 1.171 -5.578 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.470 1.404 -4.510 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.984 1.439 -4.987 1.00 0.00 C ATOM 0 H VAL A 27 -4.015 1.017 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.347 3.085 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.520 0.124 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.671 0.784 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.499 1.138 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.463 2.454 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.126 0.829 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.073 2.493 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.744 1.184 -5.726 1.00 0.00 H new ATOM 347 N GLN A 28 -0.949 0.641 -8.326 1.00 0.00 N ATOM 348 CA GLN A 28 0.265 0.213 -9.056 1.00 0.00 C ATOM 349 C GLN A 28 0.703 1.290 -10.065 1.00 0.00 C ATOM 350 O GLN A 28 1.897 1.594 -10.182 1.00 0.00 O ATOM 351 CB GLN A 28 0.011 -1.145 -9.764 1.00 0.00 C ATOM 352 CG GLN A 28 1.185 -1.645 -10.635 1.00 0.00 C ATOM 353 CD GLN A 28 0.933 -3.016 -11.262 1.00 0.00 C ATOM 354 OE1 GLN A 28 0.367 -3.127 -12.347 1.00 0.00 O ATOM 355 NE2 GLN A 28 1.384 -4.064 -10.600 1.00 0.00 N ATOM 0 H GLN A 28 -1.761 0.049 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 28 1.076 0.081 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.210 -1.898 -9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.876 -1.053 -10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.375 -0.921 -11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.087 -1.693 -10.024 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.850 -3.938 -9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.267 -5.001 -10.987 1.00 0.00 H new ATOM 364 N ARG A 29 -0.284 1.864 -10.783 1.00 0.00 N ATOM 365 CA ARG A 29 -0.049 2.933 -11.767 1.00 0.00 C ATOM 366 C ARG A 29 0.444 4.222 -11.078 1.00 0.00 C ATOM 367 O ARG A 29 1.329 4.915 -11.607 1.00 0.00 O ATOM 368 CB ARG A 29 -1.324 3.197 -12.612 1.00 0.00 C ATOM 369 CG ARG A 29 -1.846 1.960 -13.391 1.00 0.00 C ATOM 370 CD ARG A 29 -0.785 1.326 -14.314 1.00 0.00 C ATOM 371 NE ARG A 29 -1.249 0.065 -14.914 1.00 0.00 N ATOM 372 CZ ARG A 29 -0.502 -0.758 -15.670 1.00 0.00 C ATOM 373 NH1 ARG A 29 0.766 -0.479 -15.947 1.00 0.00 N ATOM 374 NH2 ARG A 29 -1.029 -1.867 -16.137 1.00 0.00 N ATOM 0 H ARG A 29 -1.265 1.598 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 29 0.737 2.601 -12.445 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.114 3.555 -11.952 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.115 3.997 -13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.192 1.211 -12.679 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.709 2.254 -13.989 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.528 2.030 -15.106 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.126 1.141 -13.744 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.217 -0.207 -14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.192 0.374 -15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.315 -1.118 -16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.999 -2.099 -15.925 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.468 -2.496 -16.711 1.00 0.00 H new ATOM 388 N PHE A 30 -0.108 4.528 -9.885 1.00 0.00 N ATOM 389 CA PHE A 30 0.349 5.678 -9.076 1.00 0.00 C ATOM 390 C PHE A 30 1.803 5.453 -8.612 1.00 0.00 C ATOM 391 O PHE A 30 2.612 6.373 -8.615 1.00 0.00 O ATOM 392 CB PHE A 30 -0.588 5.905 -7.854 1.00 0.00 C ATOM 393 CG PHE A 30 -0.203 7.113 -6.990 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.589 8.398 -7.349 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.583 6.967 -5.842 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.207 9.492 -6.594 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.968 8.058 -5.096 1.00 0.00 C ATOM 398 CZ PHE A 30 0.573 9.320 -5.471 1.00 0.00 C ATOM 0 H PHE A 30 -0.869 3.996 -9.461 1.00 0.00 H new ATOM 0 HA PHE A 30 0.313 6.574 -9.696 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.609 6.037 -8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.581 5.010 -7.233 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.196 8.545 -8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.894 5.979 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.521 10.484 -6.885 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.580 7.922 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.874 10.176 -4.886 1.00 0.00 H new ATOM 408 N PHE A 31 2.125 4.203 -8.243 1.00 0.00 N ATOM 409 CA PHE A 31 3.461 3.819 -7.751 1.00 0.00 C ATOM 410 C PHE A 31 4.344 3.262 -8.881 1.00 0.00 C ATOM 411 O PHE A 31 5.248 2.454 -8.634 1.00 0.00 O ATOM 412 CB PHE A 31 3.322 2.822 -6.560 1.00 0.00 C ATOM 413 CG PHE A 31 2.903 3.521 -5.267 1.00 0.00 C ATOM 414 CD1 PHE A 31 3.848 4.184 -4.484 1.00 0.00 C ATOM 415 CD2 PHE A 31 1.577 3.563 -4.859 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.476 4.855 -3.336 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.209 4.236 -3.720 1.00 0.00 C ATOM 418 CZ PHE A 31 2.159 4.883 -2.957 1.00 0.00 C ATOM 0 H PHE A 31 1.465 3.426 -8.277 1.00 0.00 H new ATOM 0 HA PHE A 31 3.968 4.711 -7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.587 2.058 -6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.272 2.311 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.887 4.172 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.824 3.059 -5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.222 5.357 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.172 4.259 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.865 5.411 -2.062 1.00 0.00 H new ATOM 428 N SER A 32 4.102 3.719 -10.127 1.00 0.00 N ATOM 429 CA SER A 32 4.993 3.418 -11.258 1.00 0.00 C ATOM 430 C SER A 32 6.299 4.234 -11.123 1.00 0.00 C ATOM 431 O SER A 32 6.370 5.389 -11.551 1.00 0.00 O ATOM 432 CB SER A 32 4.270 3.705 -12.582 1.00 0.00 C ATOM 433 OG SER A 32 3.098 2.909 -12.690 1.00 0.00 O ATOM 0 H SER A 32 3.298 4.297 -10.371 1.00 0.00 H new ATOM 0 HA SER A 32 5.259 2.361 -11.251 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.006 4.761 -12.638 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.936 3.498 -13.420 1.00 0.00 H new ATOM 0 HG SER A 32 2.934 2.452 -11.839 1.00 0.00 H new ATOM 439 N ASP A 33 7.308 3.566 -10.532 1.00 0.00 N ATOM 440 CA ASP A 33 8.577 4.135 -9.987 1.00 0.00 C ATOM 441 C ASP A 33 9.238 3.045 -9.129 1.00 0.00 C ATOM 442 O ASP A 33 10.467 2.929 -9.069 1.00 0.00 O ATOM 443 CB ASP A 33 8.395 5.440 -9.115 1.00 0.00 C ATOM 444 CG ASP A 33 8.482 6.765 -9.908 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.017 6.777 -11.035 1.00 0.00 O ATOM 446 OD2 ASP A 33 8.040 7.809 -9.385 1.00 0.00 O ATOM 0 H ASP A 33 7.267 2.554 -10.410 1.00 0.00 H new ATOM 0 HA ASP A 33 9.187 4.437 -10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.427 5.394 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.156 5.449 -8.335 1.00 0.00 H new ATOM 451 N CYS A 34 8.377 2.240 -8.481 1.00 0.00 N ATOM 452 CA CYS A 34 8.784 1.170 -7.572 1.00 0.00 C ATOM 453 C CYS A 34 8.362 -0.202 -8.129 1.00 0.00 C ATOM 454 O CYS A 34 7.237 -0.356 -8.641 1.00 0.00 O ATOM 455 CB CYS A 34 8.149 1.410 -6.190 1.00 0.00 C ATOM 456 SG CYS A 34 6.343 1.364 -6.153 1.00 0.00 S ATOM 0 H CYS A 34 7.365 2.321 -8.580 1.00 0.00 H new ATOM 0 HA CYS A 34 9.870 1.174 -7.475 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.530 0.659 -5.498 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.479 2.381 -5.820 1.00 0.00 H new ATOM 0 HG CYS A 34 5.876 1.734 -7.308 1.00 0.00 H new ATOM 462 N LYS A 35 9.278 -1.188 -8.034 1.00 0.00 N ATOM 463 CA LYS A 35 9.018 -2.582 -8.435 1.00 0.00 C ATOM 464 C LYS A 35 8.278 -3.298 -7.300 1.00 0.00 C ATOM 465 O LYS A 35 8.892 -3.714 -6.305 1.00 0.00 O ATOM 466 CB LYS A 35 10.339 -3.324 -8.793 1.00 0.00 C ATOM 467 CG LYS A 35 11.102 -2.723 -9.995 1.00 0.00 C ATOM 468 CD LYS A 35 12.401 -3.492 -10.375 1.00 0.00 C ATOM 469 CE LYS A 35 12.167 -4.838 -11.105 1.00 0.00 C ATOM 470 NZ LYS A 35 11.639 -5.902 -10.222 1.00 0.00 N ATOM 0 H LYS A 35 10.221 -1.037 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 35 8.397 -2.584 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.994 -3.316 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.109 -4.367 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.438 -2.704 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.359 -1.688 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.013 -2.852 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.973 -3.682 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.470 -4.680 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.107 -5.173 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.133 -6.795 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.792 -5.636 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.621 -6.023 -10.395 1.00 0.00 H new ATOM 484 N ILE A 36 6.950 -3.382 -7.444 1.00 0.00 N ATOM 485 CA ILE A 36 6.069 -4.021 -6.460 1.00 0.00 C ATOM 486 C ILE A 36 6.164 -5.544 -6.628 1.00 0.00 C ATOM 487 O ILE A 36 5.801 -6.075 -7.684 1.00 0.00 O ATOM 488 CB ILE A 36 4.572 -3.543 -6.620 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.501 -1.979 -6.710 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.696 -4.079 -5.457 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.110 -1.408 -6.969 1.00 0.00 C ATOM 0 H ILE A 36 6.454 -3.006 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 36 6.393 -3.733 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 36 4.176 -3.952 -7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.881 -1.559 -5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.167 -1.646 -7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.669 -3.738 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.719 -5.169 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.084 -3.708 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.166 -0.320 -7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.730 -1.791 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.439 -1.704 -6.162 1.00 0.00 H new ATOM 503 N GLN A 37 6.679 -6.228 -5.591 1.00 0.00 N ATOM 504 CA GLN A 37 6.900 -7.684 -5.624 1.00 0.00 C ATOM 505 C GLN A 37 5.556 -8.433 -5.695 1.00 0.00 C ATOM 506 O GLN A 37 4.659 -8.152 -4.899 1.00 0.00 O ATOM 507 CB GLN A 37 7.724 -8.134 -4.400 1.00 0.00 C ATOM 508 CG GLN A 37 8.064 -9.643 -4.365 1.00 0.00 C ATOM 509 CD GLN A 37 9.143 -10.001 -3.342 1.00 0.00 C ATOM 510 OE1 GLN A 37 10.060 -9.217 -3.096 1.00 0.00 O ATOM 511 NE2 GLN A 37 9.040 -11.175 -2.740 1.00 0.00 N ATOM 0 H GLN A 37 6.952 -5.790 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 37 7.469 -7.929 -6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.654 -7.566 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.173 -7.879 -3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.159 -10.206 -4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.395 -9.956 -5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.267 -11.799 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.734 -11.455 -2.047 1.00 0.00 H new ATOM 520 N ASN A 38 5.459 -9.373 -6.673 1.00 0.00 N ATOM 521 CA ASN A 38 4.226 -10.127 -7.031 1.00 0.00 C ATOM 522 C ASN A 38 3.245 -9.218 -7.822 1.00 0.00 C ATOM 523 O ASN A 38 2.061 -9.542 -7.975 1.00 0.00 O ATOM 524 CB ASN A 38 3.523 -10.773 -5.799 1.00 0.00 C ATOM 525 CG ASN A 38 4.400 -11.805 -5.080 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.173 -11.362 -4.096 1.00 0.00 O flip ATOM 527 ND2 ASN A 38 4.368 -12.994 -5.390 1.00 0.00 N flip ATOM 0 H ASN A 38 6.258 -9.635 -7.250 1.00 0.00 H new ATOM 0 HA ASN A 38 4.537 -10.954 -7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.243 -9.989 -5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.600 -11.253 -6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.765 -13.307 -6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.945 -13.668 -4.887 1.00 0.00 H new ATOM 534 N GLY A 39 3.775 -8.089 -8.347 1.00 0.00 N ATOM 535 CA GLY A 39 2.997 -7.134 -9.138 1.00 0.00 C ATOM 536 C GLY A 39 1.904 -6.470 -8.313 1.00 0.00 C ATOM 537 O GLY A 39 2.129 -6.117 -7.157 1.00 0.00 O ATOM 0 H GLY A 39 4.753 -7.824 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.662 -6.370 -9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.548 -7.648 -9.988 1.00 0.00 H new ATOM 541 N ALA A 40 0.704 -6.326 -8.910 1.00 0.00 N ATOM 542 CA ALA A 40 -0.494 -5.794 -8.231 1.00 0.00 C ATOM 543 C ALA A 40 -0.928 -6.677 -7.026 1.00 0.00 C ATOM 544 O ALA A 40 -1.619 -6.196 -6.124 1.00 0.00 O ATOM 545 CB ALA A 40 -1.640 -5.621 -9.255 1.00 0.00 C ATOM 0 H ALA A 40 0.538 -6.578 -9.884 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.245 -4.818 -7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.523 -5.228 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.329 -4.926 -10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.877 -6.586 -9.702 1.00 0.00 H new ATOM 551 N GLN A 41 -0.484 -7.957 -7.012 1.00 0.00 N ATOM 552 CA GLN A 41 -0.760 -8.897 -5.892 1.00 0.00 C ATOM 553 C GLN A 41 0.118 -8.589 -4.653 1.00 0.00 C ATOM 554 O GLN A 41 -0.120 -9.137 -3.573 1.00 0.00 O ATOM 555 CB GLN A 41 -0.538 -10.368 -6.345 1.00 0.00 C ATOM 556 CG GLN A 41 -1.457 -10.844 -7.495 1.00 0.00 C ATOM 557 CD GLN A 41 -2.953 -10.892 -7.136 1.00 0.00 C ATOM 558 OE1 GLN A 41 -3.332 -11.090 -5.974 1.00 0.00 O ATOM 559 NE2 GLN A 41 -3.820 -10.721 -8.131 1.00 0.00 N ATOM 0 H GLN A 41 0.069 -8.366 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.803 -8.762 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.500 -10.483 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.687 -11.023 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.322 -10.181 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.139 -11.838 -7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.482 -10.559 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.822 -10.752 -7.945 1.00 0.00 H new ATOM 568 N GLY A 42 1.128 -7.709 -4.826 1.00 0.00 N ATOM 569 CA GLY A 42 1.979 -7.254 -3.718 1.00 0.00 C ATOM 570 C GLY A 42 1.322 -6.165 -2.879 1.00 0.00 C ATOM 571 O GLY A 42 1.748 -5.894 -1.752 1.00 0.00 O ATOM 0 H GLY A 42 1.370 -7.301 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.220 -8.103 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.921 -6.879 -4.119 1.00 0.00 H new ATOM 575 N ILE A 43 0.283 -5.527 -3.446 1.00 0.00 N ATOM 576 CA ILE A 43 -0.487 -4.471 -2.774 1.00 0.00 C ATOM 577 C ILE A 43 -1.570 -5.119 -1.889 1.00 0.00 C ATOM 578 O ILE A 43 -2.460 -5.811 -2.396 1.00 0.00 O ATOM 579 CB ILE A 43 -1.135 -3.509 -3.839 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.045 -3.007 -4.844 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.849 -2.318 -3.149 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.564 -2.174 -6.001 1.00 0.00 C ATOM 0 H ILE A 43 -0.046 -5.732 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 43 0.176 -3.877 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.888 -4.065 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.689 -2.418 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.480 -3.873 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.288 -1.669 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.635 -2.695 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.127 -1.752 -2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.269 -1.876 -6.638 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.274 -2.762 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.061 -1.284 -5.615 1.00 0.00 H new ATOM 594 N ARG A 44 -1.461 -4.908 -0.573 1.00 0.00 N ATOM 595 CA ARG A 44 -2.322 -5.571 0.428 1.00 0.00 C ATOM 596 C ARG A 44 -3.172 -4.525 1.159 1.00 0.00 C ATOM 597 O ARG A 44 -2.715 -3.909 2.124 1.00 0.00 O ATOM 598 CB ARG A 44 -1.440 -6.381 1.428 1.00 0.00 C ATOM 599 CG ARG A 44 -0.537 -7.439 0.753 1.00 0.00 C ATOM 600 CD ARG A 44 -1.341 -8.501 -0.034 1.00 0.00 C ATOM 601 NE ARG A 44 -0.456 -9.440 -0.757 1.00 0.00 N ATOM 602 CZ ARG A 44 -0.608 -10.774 -0.821 1.00 0.00 C ATOM 603 NH1 ARG A 44 -1.554 -11.395 -0.124 1.00 0.00 N ATOM 604 NH2 ARG A 44 0.221 -11.481 -1.576 1.00 0.00 N ATOM 0 H ARG A 44 -0.774 -4.273 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.997 -6.266 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.813 -5.687 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.089 -6.878 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.156 -6.940 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.064 -7.936 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.977 -9.058 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.000 -8.003 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 44 0.341 -9.039 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.182 -10.858 0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.652 -12.408 -0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.961 -11.012 -2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.119 -12.494 -1.635 1.00 0.00 H new ATOM 618 N PHE A 45 -4.418 -4.325 0.683 1.00 0.00 N ATOM 619 CA PHE A 45 -5.338 -3.314 1.243 1.00 0.00 C ATOM 620 C PHE A 45 -5.869 -3.768 2.598 1.00 0.00 C ATOM 621 O PHE A 45 -6.175 -4.953 2.789 1.00 0.00 O ATOM 622 CB PHE A 45 -6.541 -3.054 0.299 1.00 0.00 C ATOM 623 CG PHE A 45 -6.170 -2.481 -1.065 1.00 0.00 C ATOM 624 CD1 PHE A 45 -5.750 -3.317 -2.096 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.249 -1.112 -1.323 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.419 -2.808 -3.333 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.915 -0.607 -2.564 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.501 -1.456 -3.566 1.00 0.00 C ATOM 0 H PHE A 45 -4.812 -4.855 -0.094 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.770 -2.391 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.078 -3.991 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.230 -2.367 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.683 -4.381 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.575 -0.440 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.095 -3.472 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.979 0.455 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.240 -1.059 -4.536 1.00 0.00 H new ATOM 638 N ILE A 46 -5.961 -2.831 3.538 1.00 0.00 N ATOM 639 CA ILE A 46 -6.711 -3.011 4.768 1.00 0.00 C ATOM 640 C ILE A 46 -8.190 -2.792 4.431 1.00 0.00 C ATOM 641 O ILE A 46 -8.579 -1.690 4.020 1.00 0.00 O ATOM 642 CB ILE A 46 -6.223 -1.982 5.867 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.665 -2.065 6.054 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.969 -2.182 7.215 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.137 -3.457 6.352 1.00 0.00 C ATOM 0 H ILE A 46 -5.511 -1.919 3.462 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.558 -4.011 5.174 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.468 -0.980 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.183 -1.694 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.374 -1.399 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.606 -1.457 7.943 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.039 -2.039 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.787 -3.191 7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.054 -3.419 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.586 -3.827 7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.392 -4.127 5.531 1.00 0.00 H new ATOM 657 N TYR A 47 -8.983 -3.867 4.523 1.00 0.00 N ATOM 658 CA TYR A 47 -10.430 -3.828 4.289 1.00 0.00 C ATOM 659 C TYR A 47 -11.156 -3.655 5.625 1.00 0.00 C ATOM 660 O TYR A 47 -10.553 -3.801 6.699 1.00 0.00 O ATOM 661 CB TYR A 47 -10.895 -5.129 3.574 1.00 0.00 C ATOM 662 CG TYR A 47 -10.259 -5.340 2.190 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.721 -4.634 1.079 1.00 0.00 C ATOM 664 CD2 TYR A 47 -9.197 -6.234 1.995 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.153 -4.806 -0.167 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.630 -6.408 0.746 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.111 -5.689 -0.331 1.00 0.00 C ATOM 668 OH TYR A 47 -8.543 -5.850 -1.575 1.00 0.00 O ATOM 0 H TYR A 47 -8.635 -4.795 4.764 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.671 -2.983 3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.658 -5.984 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.979 -5.104 3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.539 -3.939 1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.815 -6.796 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.526 -4.248 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.814 -7.103 0.613 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.819 -6.508 -1.521 1.00 0.00 H new ATOM 678 N THR A 48 -12.451 -3.336 5.545 1.00 0.00 N ATOM 679 CA THR A 48 -13.345 -3.274 6.710 1.00 0.00 C ATOM 680 C THR A 48 -14.002 -4.660 6.927 1.00 0.00 C ATOM 681 O THR A 48 -13.702 -5.613 6.187 1.00 0.00 O ATOM 682 CB THR A 48 -14.408 -2.137 6.506 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.903 -2.175 5.154 1.00 0.00 O ATOM 684 CG2 THR A 48 -13.827 -0.743 6.814 1.00 0.00 C ATOM 0 H THR A 48 -12.914 -3.111 4.664 1.00 0.00 H new ATOM 0 HA THR A 48 -12.779 -3.030 7.609 1.00 0.00 H new ATOM 0 HB THR A 48 -15.225 -2.314 7.206 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.567 -1.466 5.029 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.596 0.014 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.488 -0.711 7.850 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.985 -0.545 6.151 1.00 0.00 H new ATOM 692 N ARG A 49 -14.911 -4.761 7.919 1.00 0.00 N ATOM 693 CA ARG A 49 -15.404 -6.065 8.443 1.00 0.00 C ATOM 694 C ARG A 49 -16.108 -6.961 7.386 1.00 0.00 C ATOM 695 O ARG A 49 -16.188 -8.176 7.570 1.00 0.00 O ATOM 696 CB ARG A 49 -16.294 -5.828 9.715 1.00 0.00 C ATOM 697 CG ARG A 49 -17.564 -4.941 9.530 1.00 0.00 C ATOM 698 CD ARG A 49 -18.793 -5.710 8.987 1.00 0.00 C ATOM 699 NE ARG A 49 -19.199 -6.826 9.872 1.00 0.00 N ATOM 700 CZ ARG A 49 -19.328 -8.119 9.512 1.00 0.00 C ATOM 701 NH1 ARG A 49 -19.025 -8.518 8.281 1.00 0.00 N ATOM 702 NH2 ARG A 49 -19.738 -9.016 10.396 1.00 0.00 N ATOM 0 H ARG A 49 -15.325 -3.951 8.381 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.523 -6.641 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.611 -6.800 10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.671 -5.373 10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -17.824 -4.491 10.488 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.328 -4.124 8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.628 -5.019 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.564 -6.101 7.996 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.400 -6.595 10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.690 -7.843 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.128 -9.500 8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.956 -8.729 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.835 -9.994 10.123 1.00 0.00 H new ATOM 716 N GLU A 50 -16.588 -6.374 6.278 1.00 0.00 N ATOM 717 CA GLU A 50 -17.325 -7.125 5.226 1.00 0.00 C ATOM 718 C GLU A 50 -16.506 -7.180 3.912 1.00 0.00 C ATOM 719 O GLU A 50 -16.802 -7.985 3.021 1.00 0.00 O ATOM 720 CB GLU A 50 -18.736 -6.501 5.004 1.00 0.00 C ATOM 721 CG GLU A 50 -19.687 -7.340 4.120 1.00 0.00 C ATOM 722 CD GLU A 50 -21.118 -6.774 4.037 1.00 0.00 C ATOM 723 OE1 GLU A 50 -21.776 -6.650 5.092 1.00 0.00 O ATOM 724 OE2 GLU A 50 -21.587 -6.440 2.929 1.00 0.00 O ATOM 0 H GLU A 50 -16.483 -5.379 6.079 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.465 -8.153 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.207 -6.348 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.615 -5.517 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.272 -7.403 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.730 -8.356 4.511 1.00 0.00 H new ATOM 731 N GLY A 51 -15.457 -6.338 3.813 1.00 0.00 N ATOM 732 CA GLY A 51 -14.541 -6.354 2.663 1.00 0.00 C ATOM 733 C GLY A 51 -14.713 -5.162 1.727 1.00 0.00 C ATOM 734 O GLY A 51 -14.897 -5.331 0.515 1.00 0.00 O ATOM 0 H GLY A 51 -15.226 -5.639 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.514 -6.373 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.696 -7.274 2.099 1.00 0.00 H new ATOM 738 N ARG A 52 -14.665 -3.947 2.292 1.00 0.00 N ATOM 739 CA ARG A 52 -14.592 -2.687 1.513 1.00 0.00 C ATOM 740 C ARG A 52 -13.246 -2.008 1.832 1.00 0.00 C ATOM 741 O ARG A 52 -12.895 -1.907 3.013 1.00 0.00 O ATOM 742 CB ARG A 52 -15.793 -1.720 1.816 1.00 0.00 C ATOM 743 CG ARG A 52 -17.090 -1.989 1.008 1.00 0.00 C ATOM 744 CD ARG A 52 -17.798 -3.297 1.383 1.00 0.00 C ATOM 745 NE ARG A 52 -18.938 -3.583 0.488 1.00 0.00 N ATOM 746 CZ ARG A 52 -20.167 -3.941 0.878 1.00 0.00 C ATOM 747 NH1 ARG A 52 -20.507 -3.933 2.164 1.00 0.00 N ATOM 748 NH2 ARG A 52 -21.074 -4.282 -0.032 1.00 0.00 N ATOM 0 H ARG A 52 -14.675 -3.802 3.302 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.661 -2.924 0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.028 -1.784 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.471 -0.697 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.779 -1.158 1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.846 -2.011 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.086 -4.121 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.151 -3.236 2.412 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.774 -3.500 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.827 -3.651 2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -21.448 -4.209 2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.832 -4.270 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -22.012 -4.556 0.261 1.00 0.00 H new ATOM 762 N PRO A 53 -12.451 -1.560 0.789 1.00 0.00 N ATOM 763 CA PRO A 53 -11.142 -0.900 1.008 1.00 0.00 C ATOM 764 C PRO A 53 -11.297 0.345 1.893 1.00 0.00 C ATOM 765 O PRO A 53 -12.083 1.241 1.579 1.00 0.00 O ATOM 766 CB PRO A 53 -10.652 -0.542 -0.426 1.00 0.00 C ATOM 767 CG PRO A 53 -11.415 -1.465 -1.327 1.00 0.00 C ATOM 768 CD PRO A 53 -12.765 -1.654 -0.667 1.00 0.00 C ATOM 0 HA PRO A 53 -10.428 -1.535 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.854 0.502 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.577 -0.690 -0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.523 -1.039 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.898 -2.418 -1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.475 -0.887 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.206 -2.618 -0.922 1.00 0.00 H new ATOM 776 N SER A 54 -10.562 0.372 3.007 1.00 0.00 N ATOM 777 CA SER A 54 -10.719 1.399 4.042 1.00 0.00 C ATOM 778 C SER A 54 -10.030 2.701 3.605 1.00 0.00 C ATOM 779 O SER A 54 -10.604 3.793 3.720 1.00 0.00 O ATOM 780 CB SER A 54 -10.140 0.866 5.367 1.00 0.00 C ATOM 781 OG SER A 54 -10.704 -0.394 5.695 1.00 0.00 O ATOM 0 H SER A 54 -9.841 -0.317 3.218 1.00 0.00 H new ATOM 0 HA SER A 54 -11.775 1.624 4.190 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.057 0.774 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.339 1.578 6.168 1.00 0.00 H new ATOM 0 HG SER A 54 -10.181 -1.107 5.272 1.00 0.00 H new ATOM 787 N GLY A 55 -8.803 2.557 3.090 1.00 0.00 N ATOM 788 CA GLY A 55 -8.025 3.680 2.563 1.00 0.00 C ATOM 789 C GLY A 55 -6.529 3.502 2.790 1.00 0.00 C ATOM 790 O GLY A 55 -5.719 4.241 2.231 1.00 0.00 O ATOM 0 H GLY A 55 -8.324 1.659 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.219 3.784 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.355 4.603 3.039 1.00 0.00 H new ATOM 794 N GLU A 56 -6.168 2.521 3.646 1.00 0.00 N ATOM 795 CA GLU A 56 -4.770 2.144 3.918 1.00 0.00 C ATOM 796 C GLU A 56 -4.448 0.793 3.264 1.00 0.00 C ATOM 797 O GLU A 56 -5.351 -0.026 3.034 1.00 0.00 O ATOM 798 CB GLU A 56 -4.520 2.106 5.446 1.00 0.00 C ATOM 799 CG GLU A 56 -4.762 3.468 6.124 1.00 0.00 C ATOM 800 CD GLU A 56 -4.515 3.453 7.631 1.00 0.00 C ATOM 801 OE1 GLU A 56 -3.348 3.566 8.042 1.00 0.00 O ATOM 802 OE2 GLU A 56 -5.480 3.315 8.420 1.00 0.00 O ATOM 0 H GLU A 56 -6.846 1.967 4.169 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.105 2.891 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.173 1.359 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.494 1.789 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.112 4.213 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.789 3.781 5.936 1.00 0.00 H new ATOM 809 N ALA A 57 -3.170 0.612 2.918 1.00 0.00 N ATOM 810 CA ALA A 57 -2.630 -0.625 2.327 1.00 0.00 C ATOM 811 C ALA A 57 -1.139 -0.767 2.673 1.00 0.00 C ATOM 812 O ALA A 57 -0.531 0.170 3.177 1.00 0.00 O ATOM 813 CB ALA A 57 -2.811 -0.604 0.792 1.00 0.00 C ATOM 0 H ALA A 57 -2.462 1.336 3.042 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.174 -1.476 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.408 -1.523 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.871 -0.527 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.281 0.252 0.375 1.00 0.00 H new ATOM 819 N PHE A 58 -0.575 -1.959 2.439 1.00 0.00 N ATOM 820 CA PHE A 58 0.879 -2.198 2.482 1.00 0.00 C ATOM 821 C PHE A 58 1.340 -2.702 1.112 1.00 0.00 C ATOM 822 O PHE A 58 0.926 -3.784 0.678 1.00 0.00 O ATOM 823 CB PHE A 58 1.234 -3.241 3.570 1.00 0.00 C ATOM 824 CG PHE A 58 1.007 -2.769 4.998 1.00 0.00 C ATOM 825 CD1 PHE A 58 -0.242 -2.880 5.603 1.00 0.00 C ATOM 826 CD2 PHE A 58 2.053 -2.217 5.739 1.00 0.00 C ATOM 827 CE1 PHE A 58 -0.437 -2.457 6.896 1.00 0.00 C ATOM 828 CE2 PHE A 58 1.851 -1.797 7.036 1.00 0.00 C ATOM 829 CZ PHE A 58 0.611 -1.918 7.613 1.00 0.00 C ATOM 0 H PHE A 58 -1.117 -2.793 2.212 1.00 0.00 H new ATOM 0 HA PHE A 58 1.385 -1.265 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.641 -4.140 3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.281 -3.523 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.067 -3.303 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.031 -2.118 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.412 -2.547 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.669 -1.372 7.599 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.456 -1.590 8.630 1.00 0.00 H new ATOM 839 N VAL A 59 2.180 -1.913 0.435 1.00 0.00 N ATOM 840 CA VAL A 59 2.746 -2.269 -0.869 1.00 0.00 C ATOM 841 C VAL A 59 4.151 -2.862 -0.657 1.00 0.00 C ATOM 842 O VAL A 59 5.057 -2.182 -0.159 1.00 0.00 O ATOM 843 CB VAL A 59 2.780 -1.010 -1.814 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.530 -1.289 -3.134 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.342 -0.509 -2.095 1.00 0.00 C ATOM 0 H VAL A 59 2.488 -1.004 0.779 1.00 0.00 H new ATOM 0 HA VAL A 59 2.122 -3.018 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 59 3.333 -0.228 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.526 -0.391 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.559 -1.574 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.035 -2.099 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.381 0.362 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.769 -1.300 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.862 -0.235 -1.155 1.00 0.00 H new ATOM 855 N GLU A 60 4.289 -4.145 -1.011 1.00 0.00 N ATOM 856 CA GLU A 60 5.542 -4.910 -0.886 1.00 0.00 C ATOM 857 C GLU A 60 6.483 -4.551 -2.049 1.00 0.00 C ATOM 858 O GLU A 60 6.062 -4.578 -3.205 1.00 0.00 O ATOM 859 CB GLU A 60 5.200 -6.424 -0.886 1.00 0.00 C ATOM 860 CG GLU A 60 6.406 -7.371 -0.853 1.00 0.00 C ATOM 861 CD GLU A 60 6.000 -8.855 -0.843 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.590 -9.383 -1.903 1.00 0.00 O ATOM 863 OE2 GLU A 60 6.081 -9.502 0.223 1.00 0.00 O ATOM 0 H GLU A 60 3.522 -4.693 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 60 6.051 -4.663 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.569 -6.637 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.610 -6.646 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.037 -7.178 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.006 -7.157 0.032 1.00 0.00 H new ATOM 870 N LEU A 61 7.758 -4.231 -1.739 1.00 0.00 N ATOM 871 CA LEU A 61 8.726 -3.698 -2.729 1.00 0.00 C ATOM 872 C LEU A 61 10.045 -4.495 -2.663 1.00 0.00 C ATOM 873 O LEU A 61 10.506 -4.857 -1.583 1.00 0.00 O ATOM 874 CB LEU A 61 8.951 -2.179 -2.471 1.00 0.00 C ATOM 875 CG LEU A 61 7.675 -1.290 -2.655 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.932 0.176 -2.282 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.131 -1.399 -4.091 1.00 0.00 C ATOM 0 H LEU A 61 8.146 -4.333 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 61 8.327 -3.813 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.326 -2.048 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.728 -1.820 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 61 6.920 -1.671 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.019 0.753 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.240 0.237 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.720 0.580 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.245 -0.772 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.894 -1.066 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.869 -2.436 -4.303 1.00 0.00 H new ATOM 889 N GLU A 62 10.643 -4.764 -3.831 1.00 0.00 N ATOM 890 CA GLU A 62 11.809 -5.669 -3.963 1.00 0.00 C ATOM 891 C GLU A 62 13.116 -5.035 -3.460 1.00 0.00 C ATOM 892 O GLU A 62 14.081 -5.747 -3.162 1.00 0.00 O ATOM 893 CB GLU A 62 11.935 -6.107 -5.441 1.00 0.00 C ATOM 894 CG GLU A 62 10.731 -6.931 -5.918 1.00 0.00 C ATOM 895 CD GLU A 62 10.747 -7.249 -7.409 1.00 0.00 C ATOM 896 OE1 GLU A 62 11.573 -8.077 -7.838 1.00 0.00 O ATOM 897 OE2 GLU A 62 9.936 -6.668 -8.161 1.00 0.00 O ATOM 0 H GLU A 62 10.337 -4.363 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 62 11.639 -6.539 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.038 -5.223 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.845 -6.694 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.699 -7.866 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.816 -6.387 -5.683 1.00 0.00 H new ATOM 904 N SER A 63 13.145 -3.702 -3.376 1.00 0.00 N ATOM 905 CA SER A 63 14.310 -2.951 -2.887 1.00 0.00 C ATOM 906 C SER A 63 13.830 -1.778 -2.025 1.00 0.00 C ATOM 907 O SER A 63 12.720 -1.267 -2.222 1.00 0.00 O ATOM 908 CB SER A 63 15.171 -2.442 -4.076 1.00 0.00 C ATOM 909 OG SER A 63 15.593 -3.505 -4.920 1.00 0.00 O ATOM 0 H SER A 63 12.360 -3.109 -3.646 1.00 0.00 H new ATOM 0 HA SER A 63 14.934 -3.609 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.596 -1.723 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.044 -1.915 -3.692 1.00 0.00 H new ATOM 0 HG SER A 63 16.130 -3.145 -5.656 1.00 0.00 H new ATOM 915 N GLU A 64 14.653 -1.379 -1.047 1.00 0.00 N ATOM 916 CA GLU A 64 14.371 -0.196 -0.211 1.00 0.00 C ATOM 917 C GLU A 64 14.563 1.115 -1.018 1.00 0.00 C ATOM 918 O GLU A 64 14.157 2.196 -0.578 1.00 0.00 O ATOM 919 CB GLU A 64 15.249 -0.226 1.063 1.00 0.00 C ATOM 920 CG GLU A 64 14.808 0.761 2.156 1.00 0.00 C ATOM 921 CD GLU A 64 15.725 0.761 3.386 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.895 1.197 3.259 1.00 0.00 O ATOM 923 OE2 GLU A 64 15.286 0.360 4.492 1.00 0.00 O ATOM 0 H GLU A 64 15.523 -1.857 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 64 13.327 -0.224 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.238 -1.235 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.280 -0.006 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.777 1.766 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.793 0.515 2.469 1.00 0.00 H new ATOM 930 N ASP A 65 15.190 1.009 -2.211 1.00 0.00 N ATOM 931 CA ASP A 65 15.247 2.114 -3.185 1.00 0.00 C ATOM 932 C ASP A 65 13.839 2.402 -3.703 1.00 0.00 C ATOM 933 O ASP A 65 13.379 3.544 -3.671 1.00 0.00 O ATOM 934 CB ASP A 65 16.214 1.791 -4.356 1.00 0.00 C ATOM 935 CG ASP A 65 16.286 2.928 -5.397 1.00 0.00 C ATOM 936 OD1 ASP A 65 16.935 3.958 -5.111 1.00 0.00 O ATOM 937 OD2 ASP A 65 15.703 2.800 -6.496 1.00 0.00 O ATOM 0 H ASP A 65 15.666 0.162 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 65 15.636 3.001 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.211 1.604 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.890 0.874 -4.847 1.00 0.00 H new ATOM 942 N GLU A 66 13.178 1.327 -4.174 1.00 0.00 N ATOM 943 CA GLU A 66 11.749 1.349 -4.558 1.00 0.00 C ATOM 944 C GLU A 66 10.878 2.027 -3.470 1.00 0.00 C ATOM 945 O GLU A 66 9.947 2.773 -3.779 1.00 0.00 O ATOM 946 CB GLU A 66 11.214 -0.097 -4.829 1.00 0.00 C ATOM 947 CG GLU A 66 12.124 -1.039 -5.655 1.00 0.00 C ATOM 948 CD GLU A 66 12.790 -0.372 -6.869 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.095 -0.150 -7.878 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.011 -0.083 -6.818 1.00 0.00 O ATOM 0 H GLU A 66 13.619 0.416 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 66 11.677 1.932 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.019 -0.572 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.257 -0.013 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.901 -1.438 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.532 -1.886 -6.000 1.00 0.00 H new ATOM 957 N VAL A 67 11.218 1.754 -2.194 1.00 0.00 N ATOM 958 CA VAL A 67 10.553 2.351 -1.027 1.00 0.00 C ATOM 959 C VAL A 67 10.739 3.863 -0.992 1.00 0.00 C ATOM 960 O VAL A 67 9.770 4.571 -0.878 1.00 0.00 O ATOM 961 CB VAL A 67 11.051 1.687 0.309 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.700 2.503 1.575 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.483 0.269 0.421 1.00 0.00 C ATOM 0 H VAL A 67 11.968 1.108 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 67 9.485 2.155 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 67 12.139 1.658 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.074 1.984 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.160 3.489 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.618 2.611 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.829 -0.189 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.394 0.312 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.821 -0.326 -0.427 1.00 0.00 H new ATOM 973 N LYS A 68 11.986 4.331 -1.074 1.00 0.00 N ATOM 974 CA LYS A 68 12.311 5.778 -1.037 1.00 0.00 C ATOM 975 C LYS A 68 11.585 6.575 -2.150 1.00 0.00 C ATOM 976 O LYS A 68 11.138 7.706 -1.916 1.00 0.00 O ATOM 977 CB LYS A 68 13.848 5.974 -1.103 1.00 0.00 C ATOM 978 CG LYS A 68 14.596 5.396 0.122 1.00 0.00 C ATOM 979 CD LYS A 68 16.124 5.584 0.044 1.00 0.00 C ATOM 980 CE LYS A 68 16.776 4.831 -1.128 1.00 0.00 C ATOM 981 NZ LYS A 68 18.252 4.930 -1.104 1.00 0.00 N ATOM 0 H LYS A 68 12.804 3.729 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 68 11.946 6.180 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.228 5.500 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.068 7.039 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.223 5.876 1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.371 4.333 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.347 6.647 -0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.572 5.244 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.483 3.782 -1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.402 5.233 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.648 4.408 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.534 5.929 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.613 4.522 -0.218 1.00 0.00 H new ATOM 995 N LEU A 69 11.469 5.964 -3.332 1.00 0.00 N ATOM 996 CA LEU A 69 10.721 6.530 -4.478 1.00 0.00 C ATOM 997 C LEU A 69 9.203 6.591 -4.195 1.00 0.00 C ATOM 998 O LEU A 69 8.516 7.519 -4.620 1.00 0.00 O ATOM 999 CB LEU A 69 11.019 5.674 -5.731 1.00 0.00 C ATOM 1000 CG LEU A 69 12.527 5.578 -6.131 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.722 4.661 -7.346 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.141 6.976 -6.380 1.00 0.00 C ATOM 0 H LEU A 69 11.891 5.057 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 69 11.047 7.556 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.640 4.666 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.462 6.086 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 69 13.059 5.134 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.781 4.614 -7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.361 3.660 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.162 5.056 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.190 6.869 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.602 7.471 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.064 7.574 -5.472 1.00 0.00 H new ATOM 1014 N ALA A 70 8.706 5.554 -3.505 1.00 0.00 N ATOM 1015 CA ALA A 70 7.321 5.507 -3.005 1.00 0.00 C ATOM 1016 C ALA A 70 7.084 6.614 -1.940 1.00 0.00 C ATOM 1017 O ALA A 70 6.059 7.277 -1.959 1.00 0.00 O ATOM 1018 CB ALA A 70 7.001 4.108 -2.451 1.00 0.00 C ATOM 0 H ALA A 70 9.252 4.723 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 70 6.640 5.701 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.974 4.088 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.119 3.368 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.683 3.876 -1.633 1.00 0.00 H new ATOM 1024 N LEU A 71 8.051 6.774 -1.010 1.00 0.00 N ATOM 1025 CA LEU A 71 8.033 7.811 0.049 1.00 0.00 C ATOM 1026 C LEU A 71 8.058 9.221 -0.560 1.00 0.00 C ATOM 1027 O LEU A 71 7.531 10.163 0.019 1.00 0.00 O ATOM 1028 CB LEU A 71 9.254 7.646 1.011 1.00 0.00 C ATOM 1029 CG LEU A 71 9.404 6.269 1.739 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.654 6.243 2.643 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.135 5.889 2.526 1.00 0.00 C ATOM 0 H LEU A 71 8.878 6.179 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 71 7.110 7.682 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.163 7.827 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.195 8.426 1.770 1.00 0.00 H new ATOM 0 HG LEU A 71 9.538 5.513 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.728 5.272 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.544 6.413 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.574 7.026 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.285 4.926 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.932 6.651 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.289 5.821 1.842 1.00 0.00 H new ATOM 1043 N LYS A 72 8.690 9.341 -1.741 1.00 0.00 N ATOM 1044 CA LYS A 72 8.796 10.589 -2.493 1.00 0.00 C ATOM 1045 C LYS A 72 7.404 11.051 -2.997 1.00 0.00 C ATOM 1046 O LYS A 72 7.191 12.235 -3.260 1.00 0.00 O ATOM 1047 CB LYS A 72 9.804 10.353 -3.653 1.00 0.00 C ATOM 1048 CG LYS A 72 10.070 11.554 -4.559 1.00 0.00 C ATOM 1049 CD LYS A 72 11.161 11.278 -5.621 1.00 0.00 C ATOM 1050 CE LYS A 72 11.290 12.420 -6.644 1.00 0.00 C ATOM 1051 NZ LYS A 72 11.638 13.720 -6.010 1.00 0.00 N ATOM 0 H LYS A 72 9.148 8.555 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 72 9.163 11.396 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.752 10.028 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.435 9.533 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.145 11.836 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.372 12.404 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.119 11.131 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.928 10.351 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.054 12.161 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.350 12.525 -7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.729 14.451 -6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.889 13.992 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.540 13.627 -5.500 1.00 0.00 H new ATOM 1065 N LYS A 73 6.450 10.099 -3.090 1.00 0.00 N ATOM 1066 CA LYS A 73 5.046 10.370 -3.481 1.00 0.00 C ATOM 1067 C LYS A 73 4.180 10.820 -2.285 1.00 0.00 C ATOM 1068 O LYS A 73 2.995 11.125 -2.467 1.00 0.00 O ATOM 1069 CB LYS A 73 4.447 9.107 -4.144 1.00 0.00 C ATOM 1070 CG LYS A 73 5.267 8.621 -5.351 1.00 0.00 C ATOM 1071 CD LYS A 73 4.686 7.373 -6.032 1.00 0.00 C ATOM 1072 CE LYS A 73 5.497 6.961 -7.266 1.00 0.00 C ATOM 1073 NZ LYS A 73 5.467 8.015 -8.314 1.00 0.00 N ATOM 0 H LYS A 73 6.632 9.114 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 73 5.047 11.196 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.388 8.308 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.427 9.320 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.331 9.426 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.284 8.405 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.665 6.548 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.654 7.567 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.529 6.764 -6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.098 6.032 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.958 7.660 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.982 8.858 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.440 8.266 -8.582 1.00 0.00 H new ATOM 1087 N ASP A 74 4.763 10.824 -1.064 1.00 0.00 N ATOM 1088 CA ASP A 74 4.094 11.370 0.142 1.00 0.00 C ATOM 1089 C ASP A 74 3.951 12.908 0.024 1.00 0.00 C ATOM 1090 O ASP A 74 4.868 13.653 0.405 1.00 0.00 O ATOM 1091 CB ASP A 74 4.842 10.970 1.449 1.00 0.00 C ATOM 1092 CG ASP A 74 4.251 11.621 2.722 1.00 0.00 C ATOM 1093 OD1 ASP A 74 3.040 11.472 2.963 1.00 0.00 O ATOM 1094 OD2 ASP A 74 4.997 12.258 3.493 1.00 0.00 O ATOM 0 H ASP A 74 5.697 10.455 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 74 3.097 10.933 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.813 9.886 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.891 11.253 1.359 1.00 0.00 H new ATOM 1099 N ARG A 75 2.783 13.307 -0.540 1.00 0.00 N ATOM 1100 CA ARG A 75 2.327 14.701 -0.844 1.00 0.00 C ATOM 1101 C ARG A 75 1.493 14.685 -2.136 1.00 0.00 C ATOM 1102 O ARG A 75 0.517 15.438 -2.254 1.00 0.00 O ATOM 1103 CB ARG A 75 3.461 15.796 -0.959 1.00 0.00 C ATOM 1104 CG ARG A 75 3.705 16.595 0.343 1.00 0.00 C ATOM 1105 CD ARG A 75 4.917 17.538 0.262 1.00 0.00 C ATOM 1106 NE ARG A 75 5.015 18.409 1.464 1.00 0.00 N ATOM 1107 CZ ARG A 75 6.148 18.830 2.045 1.00 0.00 C ATOM 1108 NH1 ARG A 75 7.326 18.426 1.600 1.00 0.00 N ATOM 1109 NH2 ARG A 75 6.091 19.651 3.092 1.00 0.00 N ATOM 0 H ARG A 75 2.081 12.621 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 75 1.741 15.004 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.391 15.310 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.199 16.492 -1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.814 17.179 0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.852 15.897 1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.830 16.950 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.838 18.157 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 75 4.138 18.715 1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.380 17.787 0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.181 18.753 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.187 19.958 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.951 19.972 3.535 1.00 0.00 H new ATOM 1123 N GLU A 76 1.918 13.865 -3.116 1.00 0.00 N ATOM 1124 CA GLU A 76 1.220 13.725 -4.414 1.00 0.00 C ATOM 1125 C GLU A 76 -0.250 13.285 -4.252 1.00 0.00 C ATOM 1126 O GLU A 76 -0.581 12.479 -3.379 1.00 0.00 O ATOM 1127 CB GLU A 76 1.956 12.727 -5.349 1.00 0.00 C ATOM 1128 CG GLU A 76 3.351 13.178 -5.827 1.00 0.00 C ATOM 1129 CD GLU A 76 3.923 12.282 -6.939 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.315 12.216 -8.029 1.00 0.00 O ATOM 1131 OE2 GLU A 76 4.978 11.646 -6.749 1.00 0.00 O ATOM 0 H GLU A 76 2.751 13.282 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 76 1.229 14.717 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.059 11.775 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.331 12.546 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.291 14.204 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.037 13.179 -4.980 1.00 0.00 H new ATOM 1138 N THR A 77 -1.101 13.821 -5.133 1.00 0.00 N ATOM 1139 CA THR A 77 -2.538 13.540 -5.160 1.00 0.00 C ATOM 1140 C THR A 77 -2.807 12.371 -6.124 1.00 0.00 C ATOM 1141 O THR A 77 -2.418 12.428 -7.300 1.00 0.00 O ATOM 1142 CB THR A 77 -3.352 14.810 -5.582 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.802 15.370 -6.789 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.353 15.883 -4.482 1.00 0.00 C ATOM 0 H THR A 77 -0.804 14.473 -5.859 1.00 0.00 H new ATOM 0 HA THR A 77 -2.865 13.262 -4.158 1.00 0.00 H new ATOM 0 HB THR A 77 -4.382 14.494 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.459 14.649 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.929 16.746 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.803 15.475 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.328 16.190 -4.272 1.00 0.00 H new ATOM 1152 N MET A 78 -3.401 11.281 -5.592 1.00 0.00 N ATOM 1153 CA MET A 78 -3.764 10.091 -6.388 1.00 0.00 C ATOM 1154 C MET A 78 -4.788 10.454 -7.482 1.00 0.00 C ATOM 1155 O MET A 78 -4.442 10.503 -8.667 1.00 0.00 O ATOM 1156 CB MET A 78 -4.295 8.953 -5.478 1.00 0.00 C ATOM 1157 CG MET A 78 -4.512 7.618 -6.195 1.00 0.00 C ATOM 1158 SD MET A 78 -4.965 6.300 -5.060 1.00 0.00 S ATOM 1159 CE MET A 78 -5.037 4.889 -6.160 1.00 0.00 C ATOM 0 H MET A 78 -3.641 11.202 -4.604 1.00 0.00 H new ATOM 0 HA MET A 78 -2.863 9.727 -6.881 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.592 8.801 -4.659 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.238 9.270 -5.034 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.295 7.734 -6.945 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.601 7.341 -6.725 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.238 3.987 -5.582 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.833 5.037 -6.890 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.084 4.783 -6.679 1.00 0.00 H new ATOM 1169 N GLY A 79 -6.041 10.700 -7.075 1.00 0.00 N ATOM 1170 CA GLY A 79 -7.065 11.282 -7.950 1.00 0.00 C ATOM 1171 C GLY A 79 -7.878 12.356 -7.232 1.00 0.00 C ATOM 1172 O GLY A 79 -8.567 13.152 -7.869 1.00 0.00 O ATOM 0 H GLY A 79 -6.372 10.501 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.589 11.714 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.732 10.495 -8.302 1.00 0.00 H new ATOM 1176 N HIS A 80 -7.808 12.348 -5.886 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.474 13.325 -5.006 1.00 0.00 C ATOM 1178 C HIS A 80 -7.542 13.628 -3.828 1.00 0.00 C ATOM 1179 O HIS A 80 -7.003 14.733 -3.707 1.00 0.00 O ATOM 1180 CB HIS A 80 -9.840 12.788 -4.470 1.00 0.00 C ATOM 1181 CG HIS A 80 -10.860 12.488 -5.534 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -11.129 11.211 -5.976 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.668 13.308 -6.247 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -12.048 11.259 -6.923 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -12.392 12.518 -7.102 1.00 0.00 N ATOM 0 H HIS A 80 -7.275 11.647 -5.371 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.681 14.228 -5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.657 11.880 -3.895 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.258 13.522 -3.782 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.730 14.383 -6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.449 10.411 -7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.086 12.852 -7.770 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.320 12.597 -2.993 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.585 12.715 -1.727 1.00 0.00 C ATOM 1196 C ARG A 81 -5.067 12.772 -1.941 1.00 0.00 C ATOM 1197 O ARG A 81 -4.539 12.274 -2.945 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.938 11.526 -0.788 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.361 11.557 -0.182 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.569 10.436 0.861 1.00 0.00 C ATOM 1201 NE ARG A 81 -9.816 10.608 1.638 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.924 10.477 2.972 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -8.861 10.174 3.725 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -11.100 10.667 3.552 1.00 0.00 N ATOM 0 H ARG A 81 -7.650 11.651 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.890 13.654 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.820 10.597 -1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.215 11.502 0.027 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.535 12.526 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.097 11.452 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.591 9.472 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.719 10.417 1.544 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.662 10.845 1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.949 10.038 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.962 10.079 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.914 10.910 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.192 10.570 4.563 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.393 13.378 -0.955 1.00 0.00 N ATOM 1219 CA TYR A 82 -2.932 13.401 -0.855 1.00 0.00 C ATOM 1220 C TYR A 82 -2.505 12.065 -0.237 1.00 0.00 C ATOM 1221 O TYR A 82 -3.012 11.687 0.829 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.453 14.587 0.032 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.881 15.990 -0.456 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.222 16.392 -0.423 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.947 16.915 -0.943 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.611 17.645 -0.856 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -2.335 18.172 -1.371 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.665 18.531 -1.324 1.00 0.00 C ATOM 1229 OH TYR A 82 -4.053 19.785 -1.740 1.00 0.00 O ATOM 0 H TYR A 82 -4.857 13.873 -0.193 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.485 13.537 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.833 14.440 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.365 14.558 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.969 15.707 -0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.903 16.641 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.653 17.929 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.598 18.870 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.267 20.288 -2.040 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.582 11.361 -0.889 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.220 9.987 -0.527 1.00 0.00 C ATOM 1241 C VAL A 83 -0.098 10.017 0.511 1.00 0.00 C ATOM 1242 O VAL A 83 0.974 10.572 0.255 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.781 9.171 -1.794 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.283 7.750 -1.435 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.941 9.098 -2.803 1.00 0.00 C ATOM 0 H VAL A 83 -1.061 11.726 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.092 9.490 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 83 0.059 9.697 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.009 7.226 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.575 7.823 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.082 7.199 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.626 8.530 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.796 8.606 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.223 10.106 -3.107 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.376 9.425 1.675 1.00 0.00 N ATOM 1256 CA GLU A 84 0.563 9.350 2.792 1.00 0.00 C ATOM 1257 C GLU A 84 1.296 8.013 2.709 1.00 0.00 C ATOM 1258 O GLU A 84 0.679 6.949 2.835 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.206 9.446 4.135 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.107 10.692 4.277 1.00 0.00 C ATOM 1261 CD GLU A 84 -2.067 10.596 5.477 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -1.610 10.693 6.637 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -3.284 10.406 5.266 1.00 0.00 O ATOM 0 H GLU A 84 -1.273 8.979 1.869 1.00 0.00 H new ATOM 0 HA GLU A 84 1.275 10.174 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.822 8.554 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.516 9.442 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.481 11.578 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.686 10.823 3.363 1.00 0.00 H new ATOM 1270 N VAL A 85 2.619 8.072 2.513 1.00 0.00 N ATOM 1271 CA VAL A 85 3.444 6.874 2.321 1.00 0.00 C ATOM 1272 C VAL A 85 4.455 6.770 3.471 1.00 0.00 C ATOM 1273 O VAL A 85 5.322 7.640 3.621 1.00 0.00 O ATOM 1274 CB VAL A 85 4.186 6.876 0.930 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.803 5.483 0.627 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.236 7.323 -0.215 1.00 0.00 C ATOM 0 H VAL A 85 3.144 8.946 2.483 1.00 0.00 H new ATOM 0 HA VAL A 85 2.787 6.005 2.323 1.00 0.00 H new ATOM 0 HB VAL A 85 4.999 7.600 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.309 5.511 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.521 5.226 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.013 4.733 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.777 7.314 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.390 6.638 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.873 8.331 -0.014 1.00 0.00 H new ATOM 1286 N PHE A 86 4.311 5.722 4.297 1.00 0.00 N ATOM 1287 CA PHE A 86 5.173 5.454 5.461 1.00 0.00 C ATOM 1288 C PHE A 86 6.100 4.280 5.121 1.00 0.00 C ATOM 1289 O PHE A 86 5.695 3.384 4.380 1.00 0.00 O ATOM 1290 CB PHE A 86 4.297 5.058 6.697 1.00 0.00 C ATOM 1291 CG PHE A 86 3.041 5.909 6.891 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.073 7.084 7.637 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.821 5.525 6.324 1.00 0.00 C ATOM 1294 CE1 PHE A 86 1.932 7.844 7.811 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.684 6.288 6.496 1.00 0.00 C ATOM 1296 CZ PHE A 86 0.739 7.448 7.239 1.00 0.00 C ATOM 0 H PHE A 86 3.578 5.023 4.173 1.00 0.00 H new ATOM 0 HA PHE A 86 5.750 6.347 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.000 4.014 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.909 5.128 7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.001 7.406 8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.768 4.617 5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.973 8.751 8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.248 5.977 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.150 8.046 7.374 1.00 0.00 H new ATOM 1306 N LYS A 87 7.350 4.288 5.609 1.00 0.00 N ATOM 1307 CA LYS A 87 8.158 3.062 5.642 1.00 0.00 C ATOM 1308 C LYS A 87 7.614 2.137 6.745 1.00 0.00 C ATOM 1309 O LYS A 87 7.482 2.542 7.911 1.00 0.00 O ATOM 1310 CB LYS A 87 9.663 3.345 5.859 1.00 0.00 C ATOM 1311 CG LYS A 87 10.528 2.057 5.893 1.00 0.00 C ATOM 1312 CD LYS A 87 12.043 2.313 6.037 1.00 0.00 C ATOM 1313 CE LYS A 87 12.662 3.016 4.813 1.00 0.00 C ATOM 1314 NZ LYS A 87 14.125 3.162 4.953 1.00 0.00 N ATOM 0 H LYS A 87 7.816 5.116 5.980 1.00 0.00 H new ATOM 0 HA LYS A 87 8.077 2.576 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.023 3.996 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.793 3.887 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.196 1.433 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.352 1.491 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.219 2.921 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.551 1.362 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.437 2.445 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.208 3.999 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.532 3.465 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.335 3.874 5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.540 2.250 5.231 1.00 0.00 H new ATOM 1328 N SER A 88 7.303 0.910 6.344 1.00 0.00 N ATOM 1329 CA SER A 88 6.670 -0.091 7.196 1.00 0.00 C ATOM 1330 C SER A 88 7.441 -1.410 7.182 1.00 0.00 C ATOM 1331 O SER A 88 8.287 -1.663 6.310 1.00 0.00 O ATOM 1332 CB SER A 88 5.206 -0.288 6.757 1.00 0.00 C ATOM 1333 OG SER A 88 4.444 0.878 7.024 1.00 0.00 O ATOM 0 H SER A 88 7.487 0.576 5.398 1.00 0.00 H new ATOM 0 HA SER A 88 6.684 0.267 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.168 -0.518 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.774 -1.140 7.283 1.00 0.00 H new ATOM 0 HG SER A 88 4.198 0.898 7.973 1.00 0.00 H new ATOM 1339 N ASN A 89 7.137 -2.242 8.180 1.00 0.00 N ATOM 1340 CA ASN A 89 7.739 -3.570 8.351 1.00 0.00 C ATOM 1341 C ASN A 89 6.716 -4.632 7.908 1.00 0.00 C ATOM 1342 O ASN A 89 5.507 -4.391 7.942 1.00 0.00 O ATOM 1343 CB ASN A 89 8.148 -3.761 9.844 1.00 0.00 C ATOM 1344 CG ASN A 89 9.096 -4.943 10.119 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.107 -5.944 9.411 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.895 -4.842 11.178 1.00 0.00 N ATOM 0 H ASN A 89 6.456 -2.011 8.904 1.00 0.00 H new ATOM 0 HA ASN A 89 8.636 -3.672 7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.625 -2.845 10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.244 -3.896 10.437 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.530 -5.605 11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.872 -4.002 11.756 1.00 0.00 H new ATOM 1353 N ASN A 90 7.225 -5.786 7.466 1.00 0.00 N ATOM 1354 CA ASN A 90 6.420 -6.990 7.168 1.00 0.00 C ATOM 1355 C ASN A 90 5.699 -7.476 8.456 1.00 0.00 C ATOM 1356 O ASN A 90 4.580 -7.992 8.400 1.00 0.00 O ATOM 1357 CB ASN A 90 7.370 -8.077 6.600 1.00 0.00 C ATOM 1358 CG ASN A 90 6.706 -9.377 6.117 1.00 0.00 C ATOM 1359 OD1 ASN A 90 5.679 -9.822 6.621 1.00 0.00 O ATOM 1360 ND2 ASN A 90 7.318 -10.014 5.130 1.00 0.00 N ATOM 0 H ASN A 90 8.223 -5.919 7.300 1.00 0.00 H new ATOM 0 HA ASN A 90 5.650 -6.769 6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.924 -7.646 5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.099 -8.331 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.937 -10.891 4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.170 -9.627 4.725 1.00 0.00 H new ATOM 1367 N VAL A 91 6.363 -7.271 9.615 1.00 0.00 N ATOM 1368 CA VAL A 91 5.785 -7.541 10.949 1.00 0.00 C ATOM 1369 C VAL A 91 4.536 -6.657 11.170 1.00 0.00 C ATOM 1370 O VAL A 91 3.497 -7.154 11.616 1.00 0.00 O ATOM 1371 CB VAL A 91 6.849 -7.301 12.090 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.251 -7.536 13.503 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.104 -8.185 11.864 1.00 0.00 C ATOM 0 H VAL A 91 7.317 -6.913 9.651 1.00 0.00 H new ATOM 0 HA VAL A 91 5.488 -8.589 10.991 1.00 0.00 H new ATOM 0 HB VAL A 91 7.149 -6.254 12.040 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.018 -7.360 14.257 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.419 -6.850 13.665 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.895 -8.563 13.581 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.825 -8.004 12.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.814 -9.236 11.868 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.556 -7.937 10.904 1.00 0.00 H new ATOM 1383 N GLU A 92 4.640 -5.357 10.797 1.00 0.00 N ATOM 1384 CA GLU A 92 3.516 -4.397 10.916 1.00 0.00 C ATOM 1385 C GLU A 92 2.393 -4.776 9.924 1.00 0.00 C ATOM 1386 O GLU A 92 1.215 -4.657 10.252 1.00 0.00 O ATOM 1387 CB GLU A 92 3.961 -2.926 10.656 1.00 0.00 C ATOM 1388 CG GLU A 92 2.845 -1.867 10.932 1.00 0.00 C ATOM 1389 CD GLU A 92 3.078 -0.477 10.299 1.00 0.00 C ATOM 1390 OE1 GLU A 92 4.240 -0.112 10.011 1.00 0.00 O ATOM 1391 OE2 GLU A 92 2.081 0.255 10.071 1.00 0.00 O ATOM 0 H GLU A 92 5.492 -4.950 10.411 1.00 0.00 H new ATOM 0 HA GLU A 92 3.151 -4.456 11.941 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.824 -2.702 11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.287 -2.833 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.897 -2.260 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.744 -1.744 12.010 1.00 0.00 H new ATOM 1398 N MET A 93 2.785 -5.226 8.705 1.00 0.00 N ATOM 1399 CA MET A 93 1.828 -5.687 7.665 1.00 0.00 C ATOM 1400 C MET A 93 0.939 -6.809 8.228 1.00 0.00 C ATOM 1401 O MET A 93 -0.291 -6.745 8.135 1.00 0.00 O ATOM 1402 CB MET A 93 2.578 -6.182 6.387 1.00 0.00 C ATOM 1403 CG MET A 93 1.654 -6.723 5.274 1.00 0.00 C ATOM 1404 SD MET A 93 2.525 -7.547 3.916 1.00 0.00 S ATOM 1405 CE MET A 93 3.308 -6.187 3.052 1.00 0.00 C ATOM 0 H MET A 93 3.762 -5.280 8.417 1.00 0.00 H new ATOM 0 HA MET A 93 1.201 -4.842 7.381 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.167 -5.358 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.279 -6.966 6.673 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.946 -7.425 5.715 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.072 -5.896 4.868 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.297 -6.494 2.710 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.699 -5.903 2.194 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.405 -5.336 3.726 1.00 0.00 H new ATOM 1415 N ASP A 94 1.602 -7.795 8.864 1.00 0.00 N ATOM 1416 CA ASP A 94 0.950 -8.950 9.515 1.00 0.00 C ATOM 1417 C ASP A 94 -0.045 -8.473 10.592 1.00 0.00 C ATOM 1418 O ASP A 94 -1.198 -8.916 10.618 1.00 0.00 O ATOM 1419 CB ASP A 94 2.034 -9.876 10.142 1.00 0.00 C ATOM 1420 CG ASP A 94 1.464 -11.125 10.851 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.248 -12.157 10.184 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.251 -11.090 12.087 1.00 0.00 O ATOM 0 H ASP A 94 2.619 -7.812 8.941 1.00 0.00 H new ATOM 0 HA ASP A 94 0.392 -9.513 8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.719 -10.198 9.358 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.618 -9.299 10.859 1.00 0.00 H new ATOM 1427 N TRP A 95 0.418 -7.522 11.433 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.379 -6.947 12.529 1.00 0.00 C ATOM 1429 C TRP A 95 -1.671 -6.302 12.016 1.00 0.00 C ATOM 1430 O TRP A 95 -2.742 -6.649 12.486 1.00 0.00 O ATOM 1431 CB TRP A 95 0.449 -5.909 13.359 1.00 0.00 C ATOM 1432 CG TRP A 95 1.260 -6.525 14.474 1.00 0.00 C ATOM 1433 CD1 TRP A 95 2.604 -6.740 14.510 1.00 0.00 C ATOM 1434 CD2 TRP A 95 0.750 -7.000 15.722 1.00 0.00 C ATOM 1435 NE1 TRP A 95 2.952 -7.331 15.689 1.00 0.00 N ATOM 1436 CE2 TRP A 95 1.835 -7.497 16.454 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -0.527 -7.049 16.289 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 1.689 -8.048 17.722 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -0.671 -7.589 17.549 1.00 0.00 C ATOM 1440 CH2 TRP A 95 0.432 -8.081 18.256 1.00 0.00 C ATOM 0 H TRP A 95 1.359 -7.133 11.367 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.650 -7.774 13.185 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.120 -5.374 12.687 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.232 -5.171 13.783 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.294 -6.481 13.720 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.897 -7.605 15.956 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.384 -6.671 15.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.538 -8.436 18.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.652 -7.633 17.998 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.287 -8.495 19.243 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.563 -5.401 11.028 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.694 -4.538 10.615 1.00 0.00 C ATOM 1453 C VAL A 96 -3.699 -5.297 9.704 1.00 0.00 C ATOM 1454 O VAL A 96 -4.888 -4.952 9.660 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.187 -3.207 9.943 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.345 -2.219 9.661 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.105 -2.524 10.815 1.00 0.00 C ATOM 0 H VAL A 96 -0.706 -5.247 10.497 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.235 -4.260 11.520 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.747 -3.485 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.948 -1.316 9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.065 -2.685 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.838 -1.959 10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.771 -1.607 10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.523 -2.285 11.793 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.258 -3.199 10.938 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.221 -6.344 9.002 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.094 -7.248 8.216 1.00 0.00 C ATOM 1469 C LEU A 97 -4.963 -8.115 9.160 1.00 0.00 C ATOM 1470 O LEU A 97 -6.140 -8.360 8.878 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.248 -8.148 7.270 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.596 -7.443 6.034 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.621 -8.398 5.312 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.668 -6.909 5.056 1.00 0.00 C ATOM 0 H LEU A 97 -2.231 -6.588 8.962 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.755 -6.637 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.454 -8.609 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.885 -8.954 6.906 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.030 -6.587 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.179 -7.888 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.832 -8.702 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.162 -9.280 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.180 -6.426 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.279 -7.738 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.302 -6.187 5.570 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.365 -8.545 10.285 1.00 0.00 N ATOM 1487 CA LYS A 98 -5.029 -9.402 11.296 1.00 0.00 C ATOM 1488 C LYS A 98 -5.727 -8.555 12.383 1.00 0.00 C ATOM 1489 O LYS A 98 -6.557 -9.063 13.144 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.961 -10.336 11.926 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.416 -11.424 10.965 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.078 -12.050 11.428 1.00 0.00 C ATOM 1493 CE LYS A 98 -2.110 -12.602 12.862 1.00 0.00 C ATOM 1494 NZ LYS A 98 -0.782 -13.100 13.287 1.00 0.00 N ATOM 0 H LYS A 98 -3.402 -8.309 10.524 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.804 -9.996 10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.127 -9.729 12.278 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.392 -10.823 12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.161 -12.214 10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.279 -10.987 9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.810 -12.856 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.293 -11.298 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.441 -11.820 13.546 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.839 -13.410 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.738 -13.129 14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.632 -14.056 12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.042 -12.465 12.927 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.369 -7.265 12.445 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.881 -6.301 13.435 1.00 0.00 C ATOM 1510 C HIS A 99 -5.874 -4.898 12.802 1.00 0.00 C ATOM 1511 O HIS A 99 -4.853 -4.211 12.833 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.009 -6.349 14.728 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.309 -5.271 15.746 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -4.805 -3.984 15.653 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -6.063 -5.287 16.874 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -5.233 -3.267 16.670 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -5.997 -4.033 17.421 1.00 0.00 N ATOM 0 H HIS A 99 -4.701 -6.851 11.795 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.902 -6.555 13.720 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.143 -7.321 15.202 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.960 -6.275 14.443 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -4.195 -3.644 14.910 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.612 -6.130 17.267 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.998 -2.229 16.857 1.00 0.00 H new