USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 638 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 51 ASN : amide:sc= 0.0282 K(o=0.028,f=-0.83) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 132:sc= 0.14 (180deg=-0.416) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 137 SER OG : rot 180:sc= -0.483 USER MOD Single : A 138 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.167) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 51 -4.843 -7.691 -8.278 1.00 0.00 N ATOM 92 CA ASN A 51 -4.639 -9.132 -8.112 1.00 0.00 C ATOM 93 C ASN A 51 -3.503 -9.424 -7.125 1.00 0.00 C ATOM 94 O ASN A 51 -3.003 -8.517 -6.457 1.00 0.00 O ATOM 95 CB ASN A 51 -4.341 -9.780 -9.470 1.00 0.00 C ATOM 96 CG ASN A 51 -5.089 -11.085 -9.666 1.00 0.00 C ATOM 97 OD1 ASN A 51 -4.533 -12.166 -9.474 1.00 0.00 O ATOM 98 ND2 ASN A 51 -6.360 -10.995 -10.047 1.00 0.00 N ATOM 0 HA ASN A 51 -5.555 -9.559 -7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.611 -9.087 -10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.270 -9.962 -9.555 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.911 -11.842 -10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.784 -10.079 -10.196 1.00 0.00 H new ATOM 105 N PHE A 52 -3.101 -10.698 -7.038 1.00 0.00 N ATOM 106 CA PHE A 52 -2.025 -11.109 -6.129 1.00 0.00 C ATOM 107 C PHE A 52 -0.682 -10.548 -6.590 1.00 0.00 C ATOM 108 O PHE A 52 -0.412 -10.467 -7.790 1.00 0.00 O ATOM 109 CB PHE A 52 -1.937 -12.640 -6.031 1.00 0.00 C ATOM 110 CG PHE A 52 -3.272 -13.333 -5.924 1.00 0.00 C ATOM 111 CD1 PHE A 52 -4.296 -12.792 -5.160 1.00 0.00 C ATOM 112 CD2 PHE A 52 -3.499 -14.525 -6.592 1.00 0.00 C ATOM 113 CE1 PHE A 52 -5.519 -13.428 -5.067 1.00 0.00 C ATOM 114 CE2 PHE A 52 -4.720 -15.166 -6.502 1.00 0.00 C ATOM 115 CZ PHE A 52 -5.731 -14.617 -5.739 1.00 0.00 C ATOM 0 H PHE A 52 -3.503 -11.460 -7.584 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.259 -10.708 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.413 -13.019 -6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.334 -12.903 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.135 -11.864 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.712 -14.959 -7.191 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.309 -12.996 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.883 -16.095 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.686 -15.116 -5.667 1.00 0.00 H new ATOM 125 N GLY A 53 0.154 -10.157 -5.627 1.00 0.00 N ATOM 126 CA GLY A 53 1.457 -9.598 -5.950 1.00 0.00 C ATOM 127 C GLY A 53 1.350 -8.239 -6.624 1.00 0.00 C ATOM 128 O GLY A 53 2.217 -7.867 -7.420 1.00 0.00 O ATOM 0 H GLY A 53 -0.049 -10.218 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.046 -9.503 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.993 -10.285 -6.605 1.00 0.00 H new ATOM 132 N ASP A 54 0.286 -7.499 -6.305 1.00 0.00 N ATOM 133 CA ASP A 54 0.058 -6.179 -6.880 1.00 0.00 C ATOM 134 C ASP A 54 0.232 -5.089 -5.826 1.00 0.00 C ATOM 135 O ASP A 54 -0.466 -5.075 -4.809 1.00 0.00 O ATOM 136 CB ASP A 54 -1.349 -6.098 -7.486 1.00 0.00 C ATOM 137 CG ASP A 54 -1.442 -5.111 -8.636 1.00 0.00 C ATOM 138 OD1 ASP A 54 -0.749 -4.070 -8.592 1.00 0.00 O ATOM 139 OD2 ASP A 54 -2.210 -5.379 -9.582 1.00 0.00 O ATOM 0 H ASP A 54 -0.434 -7.797 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 54 0.796 -6.021 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.645 -7.086 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.058 -5.811 -6.709 1.00 0.00 H new ATOM 144 N ARG A 55 1.167 -4.177 -6.083 1.00 0.00 N ATOM 145 CA ARG A 55 1.441 -3.072 -5.168 1.00 0.00 C ATOM 146 C ARG A 55 0.291 -2.072 -5.182 1.00 0.00 C ATOM 147 O ARG A 55 0.031 -1.427 -6.201 1.00 0.00 O ATOM 148 CB ARG A 55 2.748 -2.369 -5.548 1.00 0.00 C ATOM 149 CG ARG A 55 3.963 -3.287 -5.558 1.00 0.00 C ATOM 150 CD ARG A 55 4.680 -3.258 -6.901 1.00 0.00 C ATOM 151 NE ARG A 55 4.393 -4.449 -7.700 1.00 0.00 N ATOM 152 CZ ARG A 55 3.462 -4.506 -8.660 1.00 0.00 C ATOM 153 NH1 ARG A 55 2.724 -3.438 -8.958 1.00 0.00 N ATOM 154 NH2 ARG A 55 3.263 -5.642 -9.320 1.00 0.00 N ATOM 0 H ARG A 55 1.749 -4.182 -6.920 1.00 0.00 H new ATOM 0 HA ARG A 55 1.542 -3.480 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.635 -1.922 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.927 -1.553 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.653 -2.985 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.650 -4.307 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.378 -2.369 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.755 -3.182 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 55 4.938 -5.291 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.865 -2.563 -8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.018 -3.495 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.819 -6.467 -9.094 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.554 -5.689 -10.052 1.00 0.00 H new ATOM 168 N ILE A 56 -0.396 -1.952 -4.048 1.00 0.00 N ATOM 169 CA ILE A 56 -1.525 -1.033 -3.928 1.00 0.00 C ATOM 170 C ILE A 56 -1.360 -0.100 -2.728 1.00 0.00 C ATOM 171 O ILE A 56 -0.564 -0.363 -1.827 1.00 0.00 O ATOM 172 CB ILE A 56 -2.864 -1.795 -3.802 1.00 0.00 C ATOM 173 CG1 ILE A 56 -2.772 -2.878 -2.721 1.00 0.00 C ATOM 174 CG2 ILE A 56 -3.249 -2.406 -5.143 1.00 0.00 C ATOM 175 CD1 ILE A 56 -4.065 -3.633 -2.506 1.00 0.00 C ATOM 0 H ILE A 56 -0.191 -2.480 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.542 -0.437 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.639 -1.088 -3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.989 -3.586 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.471 -2.416 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.194 -2.940 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.357 -1.615 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.472 -3.100 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.924 -4.382 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.847 -2.937 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.358 -4.125 -3.434 1.00 0.00 H new ATOM 187 N LEU A 57 -2.119 0.995 -2.726 1.00 0.00 N ATOM 188 CA LEU A 57 -2.055 1.972 -1.643 1.00 0.00 C ATOM 189 C LEU A 57 -3.311 1.922 -0.779 1.00 0.00 C ATOM 190 O LEU A 57 -4.424 2.101 -1.277 1.00 0.00 O ATOM 191 CB LEU A 57 -1.866 3.381 -2.207 1.00 0.00 C ATOM 192 CG LEU A 57 -0.975 4.291 -1.361 1.00 0.00 C ATOM 193 CD1 LEU A 57 0.450 3.763 -1.347 1.00 0.00 C ATOM 194 CD2 LEU A 57 -1.018 5.720 -1.883 1.00 0.00 C ATOM 0 H LEU A 57 -2.785 1.227 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.199 1.720 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.439 3.304 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.844 3.850 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.352 4.295 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.075 4.419 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.462 2.759 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.837 3.732 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.378 6.352 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.666 5.741 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.042 6.092 -1.842 1.00 0.00 H new ATOM 206 N VAL A 58 -3.123 1.682 0.515 1.00 0.00 N ATOM 207 CA VAL A 58 -4.239 1.611 1.455 1.00 0.00 C ATOM 208 C VAL A 58 -4.121 2.688 2.534 1.00 0.00 C ATOM 209 O VAL A 58 -3.023 2.984 3.012 1.00 0.00 O ATOM 210 CB VAL A 58 -4.326 0.218 2.119 1.00 0.00 C ATOM 211 CG1 VAL A 58 -3.022 -0.139 2.820 1.00 0.00 C ATOM 212 CG2 VAL A 58 -5.498 0.155 3.087 1.00 0.00 C ATOM 0 H VAL A 58 -2.207 1.533 0.938 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.151 1.783 0.883 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.493 -0.519 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.113 -1.124 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.210 -0.150 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.809 0.601 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.541 -0.834 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.369 0.908 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.426 0.346 2.548 1.00 0.00 H new ATOM 222 N LYS A 59 -5.259 3.267 2.915 1.00 0.00 N ATOM 223 CA LYS A 59 -5.285 4.308 3.939 1.00 0.00 C ATOM 224 C LYS A 59 -5.821 3.762 5.262 1.00 0.00 C ATOM 225 O LYS A 59 -6.815 3.032 5.288 1.00 0.00 O ATOM 226 CB LYS A 59 -6.135 5.496 3.478 1.00 0.00 C ATOM 227 CG LYS A 59 -7.557 5.123 3.082 1.00 0.00 C ATOM 228 CD LYS A 59 -8.580 5.809 3.972 1.00 0.00 C ATOM 229 CE LYS A 59 -9.829 4.957 4.145 1.00 0.00 C ATOM 230 NZ LYS A 59 -10.917 5.694 4.844 1.00 0.00 N ATOM 0 H LYS A 59 -6.174 3.032 2.530 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.261 4.648 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.174 6.234 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.645 5.972 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.732 5.402 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.683 4.042 3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.138 6.011 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.852 6.772 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.183 4.631 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.579 4.059 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.748 5.077 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.589 5.984 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.175 6.538 4.293 1.00 0.00 H new ATOM 244 N ALA A 60 -5.155 4.124 6.360 1.00 0.00 N ATOM 245 CA ALA A 60 -5.558 3.676 7.692 1.00 0.00 C ATOM 246 C ALA A 60 -6.352 4.759 8.422 1.00 0.00 C ATOM 247 O ALA A 60 -6.087 5.949 8.259 1.00 0.00 O ATOM 248 CB ALA A 60 -4.333 3.283 8.506 1.00 0.00 C ATOM 0 H ALA A 60 -4.333 4.727 6.352 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.203 2.805 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.645 2.951 9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.805 2.474 8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.670 4.143 8.604 1.00 0.00 H new ATOM 254 N PRO A 61 -7.340 4.362 9.248 1.00 0.00 N ATOM 255 CA PRO A 61 -8.170 5.309 10.006 1.00 0.00 C ATOM 256 C PRO A 61 -7.335 6.264 10.856 1.00 0.00 C ATOM 257 O PRO A 61 -6.728 5.859 11.851 1.00 0.00 O ATOM 258 CB PRO A 61 -9.024 4.404 10.900 1.00 0.00 C ATOM 259 CG PRO A 61 -9.060 3.096 10.189 1.00 0.00 C ATOM 260 CD PRO A 61 -7.727 2.963 9.509 1.00 0.00 C ATOM 0 HA PRO A 61 -8.754 5.952 9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.587 4.303 11.894 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.027 4.810 11.032 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.226 2.276 10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.873 3.067 9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.000 2.456 10.144 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.801 2.387 8.587 1.00 0.00 H new ATOM 268 N GLY A 62 -7.303 7.534 10.452 1.00 0.00 N ATOM 269 CA GLY A 62 -6.538 8.531 11.183 1.00 0.00 C ATOM 270 C GLY A 62 -5.180 8.817 10.561 1.00 0.00 C ATOM 271 O GLY A 62 -4.682 9.941 10.646 1.00 0.00 O ATOM 0 H GLY A 62 -7.794 7.889 9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.111 9.457 11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.396 8.191 12.209 1.00 0.00 H new ATOM 275 N TYR A 63 -4.575 7.800 9.944 1.00 0.00 N ATOM 276 CA TYR A 63 -3.261 7.950 9.318 1.00 0.00 C ATOM 277 C TYR A 63 -3.374 8.026 7.792 1.00 0.00 C ATOM 278 O TYR A 63 -4.360 7.571 7.210 1.00 0.00 O ATOM 279 CB TYR A 63 -2.356 6.781 9.720 1.00 0.00 C ATOM 280 CG TYR A 63 -2.044 6.728 11.204 1.00 0.00 C ATOM 281 CD1 TYR A 63 -2.933 6.147 12.102 1.00 0.00 C ATOM 282 CD2 TYR A 63 -0.859 7.255 11.703 1.00 0.00 C ATOM 283 CE1 TYR A 63 -2.649 6.096 13.455 1.00 0.00 C ATOM 284 CE2 TYR A 63 -0.569 7.206 13.054 1.00 0.00 C ATOM 285 CZ TYR A 63 -1.467 6.626 13.925 1.00 0.00 C ATOM 286 OH TYR A 63 -1.180 6.573 15.270 1.00 0.00 O ATOM 0 H TYR A 63 -4.974 6.865 9.865 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.824 8.885 9.669 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.833 5.846 9.425 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.421 6.850 9.164 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.860 5.729 11.737 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.153 7.710 11.024 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.351 5.643 14.140 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.357 7.620 13.425 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.308 6.989 15.435 1.00 0.00 H new ATOM 296 N PRO A 64 -2.360 8.604 7.116 1.00 0.00 N ATOM 297 CA PRO A 64 -2.353 8.733 5.651 1.00 0.00 C ATOM 298 C PRO A 64 -2.247 7.377 4.942 1.00 0.00 C ATOM 299 O PRO A 64 -2.389 6.325 5.569 1.00 0.00 O ATOM 300 CB PRO A 64 -1.114 9.594 5.372 1.00 0.00 C ATOM 301 CG PRO A 64 -0.230 9.391 6.552 1.00 0.00 C ATOM 302 CD PRO A 64 -1.144 9.178 7.726 1.00 0.00 C ATOM 0 HA PRO A 64 -3.279 9.169 5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.619 9.287 4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.381 10.644 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.424 8.531 6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.413 10.257 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.705 8.501 8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.358 10.113 8.243 1.00 0.00 H new ATOM 310 N TRP A 65 -1.998 7.409 3.631 1.00 0.00 N ATOM 311 CA TRP A 65 -1.878 6.179 2.842 1.00 0.00 C ATOM 312 C TRP A 65 -0.500 5.544 3.026 1.00 0.00 C ATOM 313 O TRP A 65 0.487 6.241 3.272 1.00 0.00 O ATOM 314 CB TRP A 65 -2.122 6.461 1.355 1.00 0.00 C ATOM 315 CG TRP A 65 -3.405 7.188 1.072 1.00 0.00 C ATOM 316 CD1 TRP A 65 -3.657 8.515 1.275 1.00 0.00 C ATOM 317 CD2 TRP A 65 -4.608 6.629 0.530 1.00 0.00 C ATOM 318 NE1 TRP A 65 -4.944 8.814 0.899 1.00 0.00 N ATOM 319 CE2 TRP A 65 -5.548 7.673 0.439 1.00 0.00 C ATOM 320 CE3 TRP A 65 -4.982 5.347 0.117 1.00 0.00 C ATOM 321 CZ2 TRP A 65 -6.837 7.474 -0.051 1.00 0.00 C ATOM 322 CZ3 TRP A 65 -6.262 5.152 -0.369 1.00 0.00 C ATOM 323 CH2 TRP A 65 -7.175 6.210 -0.449 1.00 0.00 C ATOM 0 H TRP A 65 -1.876 8.268 3.095 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.636 5.482 3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -1.290 7.049 0.966 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.125 5.516 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -2.948 9.226 1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.379 9.735 0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.285 4.524 0.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.544 8.288 -0.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.562 4.166 -0.692 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.167 6.024 -0.833 1.00 0.00 H new ATOM 334 N TRP A 66 -0.438 4.217 2.904 1.00 0.00 N ATOM 335 CA TRP A 66 0.820 3.487 3.058 1.00 0.00 C ATOM 336 C TRP A 66 1.008 2.466 1.933 1.00 0.00 C ATOM 337 O TRP A 66 0.050 1.817 1.508 1.00 0.00 O ATOM 338 CB TRP A 66 0.864 2.782 4.416 1.00 0.00 C ATOM 339 CG TRP A 66 2.256 2.556 4.913 1.00 0.00 C ATOM 340 CD1 TRP A 66 2.969 1.393 4.852 1.00 0.00 C ATOM 341 CD2 TRP A 66 3.115 3.518 5.537 1.00 0.00 C ATOM 342 NE1 TRP A 66 4.216 1.573 5.397 1.00 0.00 N ATOM 343 CE2 TRP A 66 4.329 2.870 5.825 1.00 0.00 C ATOM 344 CE3 TRP A 66 2.976 4.867 5.877 1.00 0.00 C ATOM 345 CZ2 TRP A 66 5.395 3.520 6.436 1.00 0.00 C ATOM 346 CZ3 TRP A 66 4.037 5.513 6.483 1.00 0.00 C ATOM 347 CH2 TRP A 66 5.234 4.838 6.753 1.00 0.00 C ATOM 0 H TRP A 66 -1.244 3.627 2.699 1.00 0.00 H new ATOM 0 HA TRP A 66 1.634 4.209 3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.316 3.377 5.146 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.352 1.823 4.338 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.605 0.466 4.435 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.940 0.858 5.471 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.057 5.394 5.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.317 3.001 6.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.942 6.554 6.752 1.00 0.00 H new ATOM 0 HH2 TRP A 66 6.047 5.372 7.222 1.00 0.00 H new ATOM 358 N PRO A 67 2.255 2.312 1.434 1.00 0.00 N ATOM 359 CA PRO A 67 2.568 1.365 0.353 1.00 0.00 C ATOM 360 C PRO A 67 2.482 -0.094 0.804 1.00 0.00 C ATOM 361 O PRO A 67 3.348 -0.582 1.534 1.00 0.00 O ATOM 362 CB PRO A 67 4.007 1.728 -0.029 1.00 0.00 C ATOM 363 CG PRO A 67 4.584 2.330 1.204 1.00 0.00 C ATOM 364 CD PRO A 67 3.452 3.050 1.882 1.00 0.00 C ATOM 0 HA PRO A 67 1.860 1.442 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.569 0.847 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.030 2.431 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.003 1.562 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.394 3.018 0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.555 3.027 2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.410 4.099 1.588 1.00 0.00 H new ATOM 372 N ALA A 68 1.434 -0.784 0.357 1.00 0.00 N ATOM 373 CA ALA A 68 1.227 -2.189 0.699 1.00 0.00 C ATOM 374 C ALA A 68 1.120 -3.042 -0.567 1.00 0.00 C ATOM 375 O ALA A 68 0.997 -2.512 -1.671 1.00 0.00 O ATOM 376 CB ALA A 68 -0.021 -2.338 1.558 1.00 0.00 C ATOM 0 H ALA A 68 0.712 -0.390 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 68 2.086 -2.541 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.167 -3.389 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.097 -1.760 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.888 -1.972 1.007 1.00 0.00 H new ATOM 382 N LEU A 69 1.172 -4.365 -0.409 1.00 0.00 N ATOM 383 CA LEU A 69 1.085 -5.271 -1.553 1.00 0.00 C ATOM 384 C LEU A 69 -0.002 -6.320 -1.344 1.00 0.00 C ATOM 385 O LEU A 69 -0.027 -7.004 -0.320 1.00 0.00 O ATOM 386 CB LEU A 69 2.432 -5.956 -1.799 1.00 0.00 C ATOM 387 CG LEU A 69 3.295 -5.314 -2.888 1.00 0.00 C ATOM 388 CD1 LEU A 69 3.719 -3.913 -2.479 1.00 0.00 C ATOM 389 CD2 LEU A 69 4.515 -6.175 -3.180 1.00 0.00 C ATOM 0 H LEU A 69 1.273 -4.830 0.493 1.00 0.00 H new ATOM 0 HA LEU A 69 0.824 -4.676 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.996 -5.961 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.250 -6.997 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 69 2.699 -5.241 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.332 -3.474 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.834 -3.297 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.296 -3.962 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.116 -5.702 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.111 -6.281 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.193 -7.159 -3.519 1.00 0.00 H new ATOM 401 N LEU A 70 -0.900 -6.442 -2.322 1.00 0.00 N ATOM 402 CA LEU A 70 -1.995 -7.408 -2.250 1.00 0.00 C ATOM 403 C LEU A 70 -1.470 -8.842 -2.249 1.00 0.00 C ATOM 404 O LEU A 70 -0.707 -9.234 -3.131 1.00 0.00 O ATOM 405 CB LEU A 70 -2.959 -7.216 -3.423 1.00 0.00 C ATOM 406 CG LEU A 70 -4.437 -7.422 -3.085 1.00 0.00 C ATOM 407 CD1 LEU A 70 -5.311 -6.528 -3.953 1.00 0.00 C ATOM 408 CD2 LEU A 70 -4.827 -8.885 -3.257 1.00 0.00 C ATOM 0 H LEU A 70 -0.890 -5.882 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.526 -7.233 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.829 -6.209 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.683 -7.909 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.594 -7.147 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.359 -6.687 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.050 -5.484 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.151 -6.772 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.882 -9.012 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.655 -9.188 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.223 -9.503 -2.592 1.00 0.00 H new ATOM 420 N LEU A 71 -1.891 -9.617 -1.252 1.00 0.00 N ATOM 421 CA LEU A 71 -1.471 -11.009 -1.132 1.00 0.00 C ATOM 422 C LEU A 71 -2.570 -11.962 -1.613 1.00 0.00 C ATOM 423 O LEU A 71 -2.284 -12.939 -2.307 1.00 0.00 O ATOM 424 CB LEU A 71 -1.057 -11.313 0.321 1.00 0.00 C ATOM 425 CG LEU A 71 -2.045 -12.136 1.156 1.00 0.00 C ATOM 426 CD1 LEU A 71 -1.829 -13.626 0.929 1.00 0.00 C ATOM 427 CD2 LEU A 71 -1.897 -11.795 2.632 1.00 0.00 C ATOM 0 H LEU A 71 -2.523 -9.303 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.605 -11.168 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.104 -11.842 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.885 -10.366 0.832 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.058 -11.886 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.540 -14.192 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.979 -13.859 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.813 -13.895 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.604 -12.386 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.881 -12.020 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.100 -10.735 2.783 1.00 0.00 H new ATOM 439 N ARG A 72 -3.823 -11.676 -1.247 1.00 0.00 N ATOM 440 CA ARG A 72 -4.952 -12.515 -1.652 1.00 0.00 C ATOM 441 C ARG A 72 -6.291 -11.807 -1.447 1.00 0.00 C ATOM 442 O ARG A 72 -6.395 -10.862 -0.661 1.00 0.00 O ATOM 443 CB ARG A 72 -4.944 -13.836 -0.873 1.00 0.00 C ATOM 444 CG ARG A 72 -4.489 -15.030 -1.700 1.00 0.00 C ATOM 445 CD ARG A 72 -5.622 -16.019 -1.930 1.00 0.00 C ATOM 446 NE ARG A 72 -5.153 -17.247 -2.573 1.00 0.00 N ATOM 447 CZ ARG A 72 -5.820 -18.406 -2.553 1.00 0.00 C ATOM 448 NH1 ARG A 72 -6.999 -18.498 -1.942 1.00 0.00 N ATOM 449 NH2 ARG A 72 -5.308 -19.474 -3.154 1.00 0.00 N ATOM 0 H ARG A 72 -4.079 -10.873 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.837 -12.718 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.289 -13.734 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.947 -14.030 -0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.108 -14.683 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.665 -15.532 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.089 -16.264 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.389 -15.555 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.261 -17.217 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.401 -17.680 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.500 -19.386 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.408 -19.409 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.815 -20.359 -3.140 1.00 0.00 H new ATOM 463 N ARG A 73 -7.319 -12.292 -2.148 1.00 0.00 N ATOM 464 CA ARG A 73 -8.664 -11.735 -2.043 1.00 0.00 C ATOM 465 C ARG A 73 -9.551 -12.675 -1.236 1.00 0.00 C ATOM 466 O ARG A 73 -9.847 -13.789 -1.673 1.00 0.00 O ATOM 467 CB ARG A 73 -9.273 -11.514 -3.431 1.00 0.00 C ATOM 468 CG ARG A 73 -10.476 -10.578 -3.432 1.00 0.00 C ATOM 469 CD ARG A 73 -11.785 -11.343 -3.566 1.00 0.00 C ATOM 470 NE ARG A 73 -11.986 -11.866 -4.919 1.00 0.00 N ATOM 471 CZ ARG A 73 -12.403 -11.129 -5.953 1.00 0.00 C ATOM 472 NH1 ARG A 73 -12.667 -9.833 -5.797 1.00 0.00 N ATOM 473 NH2 ARG A 73 -12.559 -11.689 -7.148 1.00 0.00 N ATOM 0 H ARG A 73 -7.241 -13.074 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.598 -10.772 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.508 -11.108 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.573 -12.477 -3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.486 -9.998 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.384 -9.868 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.795 -12.169 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.615 -10.687 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.796 -12.855 -5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.551 -9.395 -4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.985 -9.278 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.361 -12.681 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.877 -11.127 -7.937 1.00 0.00 H new ATOM 487 N LYS A 74 -9.962 -12.229 -0.053 1.00 0.00 N ATOM 488 CA LYS A 74 -10.805 -13.043 0.817 1.00 0.00 C ATOM 489 C LYS A 74 -12.209 -12.453 0.942 1.00 0.00 C ATOM 490 O LYS A 74 -12.374 -11.263 1.214 1.00 0.00 O ATOM 491 CB LYS A 74 -10.166 -13.179 2.200 1.00 0.00 C ATOM 492 CG LYS A 74 -9.551 -11.891 2.724 1.00 0.00 C ATOM 493 CD LYS A 74 -9.257 -11.981 4.211 1.00 0.00 C ATOM 494 CE LYS A 74 -9.438 -10.638 4.899 1.00 0.00 C ATOM 495 NZ LYS A 74 -10.005 -10.787 6.269 1.00 0.00 N ATOM 0 H LYS A 74 -9.726 -11.311 0.325 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.894 -14.031 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.922 -13.523 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.395 -13.948 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.629 -11.679 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.230 -11.059 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.917 -12.717 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.236 -12.332 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.477 -10.128 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.097 -10.009 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.447 -10.220 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.992 -10.458 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.972 -11.787 6.551 1.00 0.00 H new ATOM 509 N GLU A 75 -13.214 -13.303 0.742 1.00 0.00 N ATOM 510 CA GLU A 75 -14.610 -12.887 0.831 1.00 0.00 C ATOM 511 C GLU A 75 -15.319 -13.613 1.970 1.00 0.00 C ATOM 512 O GLU A 75 -15.614 -14.805 1.868 1.00 0.00 O ATOM 513 CB GLU A 75 -15.326 -13.172 -0.493 1.00 0.00 C ATOM 514 CG GLU A 75 -16.288 -12.074 -0.917 1.00 0.00 C ATOM 515 CD GLU A 75 -17.522 -12.612 -1.618 1.00 0.00 C ATOM 516 OE1 GLU A 75 -18.099 -13.610 -1.131 1.00 0.00 O ATOM 517 OE2 GLU A 75 -17.913 -12.036 -2.655 1.00 0.00 O ATOM 0 H GLU A 75 -13.085 -14.289 0.516 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.638 -11.816 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.581 -13.312 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.875 -14.109 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.593 -11.506 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.771 -11.381 -1.581 1.00 0.00 H new ATOM 524 N THR A 76 -15.596 -12.890 3.057 1.00 0.00 N ATOM 525 CA THR A 76 -16.277 -13.481 4.208 1.00 0.00 C ATOM 526 C THR A 76 -17.708 -12.958 4.324 1.00 0.00 C ATOM 527 O THR A 76 -17.982 -11.794 4.031 1.00 0.00 O ATOM 528 CB THR A 76 -15.496 -13.204 5.501 1.00 0.00 C ATOM 529 OG1 THR A 76 -16.106 -13.853 6.601 1.00 0.00 O ATOM 530 CG2 THR A 76 -15.379 -11.736 5.844 1.00 0.00 C ATOM 0 H THR A 76 -15.361 -11.903 3.163 1.00 0.00 H new ATOM 0 HA THR A 76 -16.321 -14.559 4.056 1.00 0.00 H new ATOM 0 HB THR A 76 -14.494 -13.590 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.594 -13.667 7.416 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.815 -11.622 6.770 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.863 -11.214 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.375 -11.312 5.972 1.00 0.00 H new ATOM 666 N PHE A 86 -22.061 -9.267 3.736 1.00 0.00 N ATOM 667 CA PHE A 86 -20.841 -9.548 2.988 1.00 0.00 C ATOM 668 C PHE A 86 -19.720 -8.603 3.406 1.00 0.00 C ATOM 669 O PHE A 86 -19.882 -7.382 3.369 1.00 0.00 O ATOM 670 CB PHE A 86 -21.094 -9.424 1.482 1.00 0.00 C ATOM 671 CG PHE A 86 -21.416 -10.728 0.808 1.00 0.00 C ATOM 672 CD1 PHE A 86 -22.494 -11.497 1.223 1.00 0.00 C ATOM 673 CD2 PHE A 86 -20.645 -11.183 -0.250 1.00 0.00 C ATOM 674 CE1 PHE A 86 -22.794 -12.692 0.597 1.00 0.00 C ATOM 675 CE2 PHE A 86 -20.939 -12.378 -0.878 1.00 0.00 C ATOM 676 CZ PHE A 86 -22.014 -13.133 -0.454 1.00 0.00 C ATOM 0 HA PHE A 86 -20.536 -10.570 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -21.917 -8.729 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -20.212 -8.991 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -23.106 -11.157 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.804 -10.596 -0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -23.637 -13.280 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -20.328 -12.721 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 86 -22.245 -14.068 -0.944 1.00 0.00 H new ATOM 686 N ASN A 87 -18.581 -9.173 3.794 1.00 0.00 N ATOM 687 CA ASN A 87 -17.432 -8.382 4.211 1.00 0.00 C ATOM 688 C ASN A 87 -16.183 -8.830 3.458 1.00 0.00 C ATOM 689 O ASN A 87 -15.365 -9.593 3.975 1.00 0.00 O ATOM 690 CB ASN A 87 -17.210 -8.520 5.723 1.00 0.00 C ATOM 691 CG ASN A 87 -18.327 -7.897 6.544 1.00 0.00 C ATOM 692 OD1 ASN A 87 -19.501 -8.229 6.370 1.00 0.00 O ATOM 693 ND2 ASN A 87 -17.969 -6.989 7.446 1.00 0.00 N ATOM 0 H ASN A 87 -18.432 -10.182 3.827 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.629 -7.335 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -17.125 -9.576 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -16.264 -8.050 5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -18.677 -6.539 8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -16.986 -6.742 7.559 1.00 0.00 H new ATOM 700 N VAL A 88 -16.044 -8.340 2.234 1.00 0.00 N ATOM 701 CA VAL A 88 -14.896 -8.673 1.399 1.00 0.00 C ATOM 702 C VAL A 88 -13.784 -7.643 1.564 1.00 0.00 C ATOM 703 O VAL A 88 -14.022 -6.436 1.498 1.00 0.00 O ATOM 704 CB VAL A 88 -15.281 -8.790 -0.095 1.00 0.00 C ATOM 705 CG1 VAL A 88 -16.095 -7.584 -0.552 1.00 0.00 C ATOM 706 CG2 VAL A 88 -14.040 -8.964 -0.960 1.00 0.00 C ATOM 0 H VAL A 88 -16.714 -7.708 1.795 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.536 -9.646 1.733 1.00 0.00 H new ATOM 0 HB VAL A 88 -15.905 -9.676 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.350 -7.696 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -17.009 -7.517 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.508 -6.676 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.334 -9.044 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.384 -8.103 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.512 -9.870 -0.661 1.00 0.00 H new ATOM 716 N LEU A 89 -12.564 -8.134 1.778 1.00 0.00 N ATOM 717 CA LEU A 89 -11.398 -7.268 1.951 1.00 0.00 C ATOM 718 C LEU A 89 -10.214 -7.762 1.124 1.00 0.00 C ATOM 719 O LEU A 89 -10.290 -8.798 0.458 1.00 0.00 O ATOM 720 CB LEU A 89 -10.983 -7.195 3.427 1.00 0.00 C ATOM 721 CG LEU A 89 -12.125 -7.180 4.443 1.00 0.00 C ATOM 722 CD1 LEU A 89 -11.588 -7.420 5.848 1.00 0.00 C ATOM 723 CD2 LEU A 89 -12.884 -5.861 4.374 1.00 0.00 C ATOM 0 H LEU A 89 -12.357 -9.131 1.836 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.683 -6.274 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.339 -8.047 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.383 -6.297 3.571 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.818 -7.985 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.413 -7.406 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.091 -8.389 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.875 -6.636 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.693 -5.868 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.204 -5.038 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.299 -5.732 3.374 1.00 0.00 H new ATOM 735 N TYR A 90 -9.116 -7.012 1.181 1.00 0.00 N ATOM 736 CA TYR A 90 -7.902 -7.354 0.453 1.00 0.00 C ATOM 737 C TYR A 90 -6.731 -7.533 1.416 1.00 0.00 C ATOM 738 O TYR A 90 -6.292 -6.572 2.051 1.00 0.00 O ATOM 739 CB TYR A 90 -7.576 -6.260 -0.566 1.00 0.00 C ATOM 740 CG TYR A 90 -8.041 -6.583 -1.967 1.00 0.00 C ATOM 741 CD1 TYR A 90 -7.932 -7.872 -2.470 1.00 0.00 C ATOM 742 CD2 TYR A 90 -8.584 -5.602 -2.787 1.00 0.00 C ATOM 743 CE1 TYR A 90 -8.354 -8.177 -3.745 1.00 0.00 C ATOM 744 CE2 TYR A 90 -9.009 -5.899 -4.068 1.00 0.00 C ATOM 745 CZ TYR A 90 -8.891 -7.189 -4.542 1.00 0.00 C ATOM 746 OH TYR A 90 -9.315 -7.490 -5.816 1.00 0.00 O ATOM 0 H TYR A 90 -9.045 -6.156 1.730 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.067 -8.295 -0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.038 -5.326 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.499 -6.095 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.509 -8.649 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.675 -4.591 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.265 -9.186 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.431 -5.126 -4.694 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.668 -6.682 -6.243 1.00 0.00 H new ATOM 756 N LYS A 91 -6.223 -8.764 1.515 1.00 0.00 N ATOM 757 CA LYS A 91 -5.096 -9.053 2.396 1.00 0.00 C ATOM 758 C LYS A 91 -3.814 -8.462 1.814 1.00 0.00 C ATOM 759 O LYS A 91 -3.174 -9.074 0.959 1.00 0.00 O ATOM 760 CB LYS A 91 -4.938 -10.567 2.598 1.00 0.00 C ATOM 761 CG LYS A 91 -6.141 -11.231 3.251 1.00 0.00 C ATOM 762 CD LYS A 91 -5.770 -12.562 3.893 1.00 0.00 C ATOM 763 CE LYS A 91 -6.080 -13.737 2.975 1.00 0.00 C ATOM 764 NZ LYS A 91 -6.843 -14.810 3.674 1.00 0.00 N ATOM 0 H LYS A 91 -6.574 -9.570 0.998 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.290 -8.597 3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.757 -11.036 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.056 -10.752 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.558 -10.566 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.918 -11.391 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.708 -12.563 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.315 -12.679 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.654 -13.385 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.148 -14.149 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.032 -15.589 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.286 -15.165 4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.744 -14.425 4.022 1.00 0.00 H new ATOM 778 N VAL A 92 -3.454 -7.263 2.269 1.00 0.00 N ATOM 779 CA VAL A 92 -2.255 -6.584 1.778 1.00 0.00 C ATOM 780 C VAL A 92 -1.141 -6.590 2.817 1.00 0.00 C ATOM 781 O VAL A 92 -1.404 -6.545 4.015 1.00 0.00 O ATOM 782 CB VAL A 92 -2.552 -5.121 1.374 1.00 0.00 C ATOM 783 CG1 VAL A 92 -3.734 -5.050 0.420 1.00 0.00 C ATOM 784 CG2 VAL A 92 -2.796 -4.252 2.605 1.00 0.00 C ATOM 0 H VAL A 92 -3.974 -6.742 2.975 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.929 -7.139 0.899 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.675 -4.733 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.923 -4.011 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.510 -5.623 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.618 -5.465 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.002 -3.228 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.649 -4.641 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.911 -4.266 3.241 1.00 0.00 H new ATOM 794 N LEU A 93 0.102 -6.628 2.344 1.00 0.00 N ATOM 795 CA LEU A 93 1.267 -6.621 3.224 1.00 0.00 C ATOM 796 C LEU A 93 1.887 -5.229 3.265 1.00 0.00 C ATOM 797 O LEU A 93 2.095 -4.611 2.220 1.00 0.00 O ATOM 798 CB LEU A 93 2.306 -7.639 2.740 1.00 0.00 C ATOM 799 CG LEU A 93 2.131 -9.059 3.282 1.00 0.00 C ATOM 800 CD1 LEU A 93 2.692 -10.079 2.303 1.00 0.00 C ATOM 801 CD2 LEU A 93 2.802 -9.197 4.642 1.00 0.00 C ATOM 0 H LEU A 93 0.329 -6.664 1.350 1.00 0.00 H new ATOM 0 HA LEU A 93 0.944 -6.896 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.274 -7.677 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.298 -7.281 3.017 1.00 0.00 H new ATOM 0 HG LEU A 93 1.065 -9.252 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.558 -11.083 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.167 -9.997 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.754 -9.889 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.668 -10.213 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.867 -8.984 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.353 -8.493 5.342 1.00 0.00 H new ATOM 813 N PHE A 94 2.189 -4.738 4.466 1.00 0.00 N ATOM 814 CA PHE A 94 2.791 -3.411 4.606 1.00 0.00 C ATOM 815 C PHE A 94 4.320 -3.509 4.564 1.00 0.00 C ATOM 816 O PHE A 94 4.878 -4.599 4.676 1.00 0.00 O ATOM 817 CB PHE A 94 2.337 -2.752 5.911 1.00 0.00 C ATOM 818 CG PHE A 94 1.049 -1.976 5.791 1.00 0.00 C ATOM 819 CD1 PHE A 94 -0.103 -2.564 5.280 1.00 0.00 C ATOM 820 CD2 PHE A 94 0.993 -0.652 6.198 1.00 0.00 C ATOM 821 CE1 PHE A 94 -1.278 -1.844 5.179 1.00 0.00 C ATOM 822 CE2 PHE A 94 -0.181 0.070 6.099 1.00 0.00 C ATOM 823 CZ PHE A 94 -1.316 -0.525 5.588 1.00 0.00 C ATOM 0 H PHE A 94 2.030 -5.230 5.345 1.00 0.00 H new ATOM 0 HA PHE A 94 2.459 -2.793 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.215 -3.523 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.122 -2.081 6.260 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.079 -3.595 4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.878 -0.179 6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.166 -2.312 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.210 1.100 6.422 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.233 0.040 5.508 1.00 0.00 H new ATOM 833 N PHE A 95 4.991 -2.370 4.389 1.00 0.00 N ATOM 834 CA PHE A 95 6.455 -2.337 4.321 1.00 0.00 C ATOM 835 C PHE A 95 7.009 -1.084 5.000 1.00 0.00 C ATOM 836 O PHE A 95 6.291 -0.097 5.165 1.00 0.00 O ATOM 837 CB PHE A 95 6.914 -2.366 2.858 1.00 0.00 C ATOM 838 CG PHE A 95 6.520 -3.610 2.114 1.00 0.00 C ATOM 839 CD1 PHE A 95 5.233 -3.760 1.620 1.00 0.00 C ATOM 840 CD2 PHE A 95 7.435 -4.628 1.908 1.00 0.00 C ATOM 841 CE1 PHE A 95 4.868 -4.903 0.936 1.00 0.00 C ATOM 842 CE2 PHE A 95 7.075 -5.773 1.224 1.00 0.00 C ATOM 843 CZ PHE A 95 5.790 -5.911 0.739 1.00 0.00 C ATOM 0 H PHE A 95 4.546 -1.458 4.292 1.00 0.00 H new ATOM 0 HA PHE A 95 6.835 -3.215 4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.499 -1.500 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.999 -2.266 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.508 -2.974 1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.441 -4.526 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.863 -5.008 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.798 -6.560 1.069 1.00 0.00 H new ATOM 0 HZ PHE A 95 5.506 -6.807 0.206 1.00 0.00 H new ATOM 853 N PRO A 96 8.298 -1.095 5.407 1.00 0.00 N ATOM 854 CA PRO A 96 9.209 -2.235 5.241 1.00 0.00 C ATOM 855 C PRO A 96 9.105 -3.272 6.368 1.00 0.00 C ATOM 856 O PRO A 96 9.386 -4.451 6.156 1.00 0.00 O ATOM 857 CB PRO A 96 10.602 -1.586 5.272 1.00 0.00 C ATOM 858 CG PRO A 96 10.395 -0.135 5.592 1.00 0.00 C ATOM 859 CD PRO A 96 8.977 0.020 6.065 1.00 0.00 C ATOM 0 HA PRO A 96 8.979 -2.785 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.234 -2.061 6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.105 -1.703 4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.095 0.193 6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.576 0.482 4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.902 -0.044 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.555 0.981 5.772 1.00 0.00 H new ATOM 867 N ASP A 97 8.724 -2.814 7.564 1.00 0.00 N ATOM 868 CA ASP A 97 8.603 -3.679 8.746 1.00 0.00 C ATOM 869 C ASP A 97 7.710 -4.909 8.513 1.00 0.00 C ATOM 870 O ASP A 97 7.770 -5.866 9.288 1.00 0.00 O ATOM 871 CB ASP A 97 8.063 -2.868 9.931 1.00 0.00 C ATOM 872 CG ASP A 97 8.710 -3.258 11.247 1.00 0.00 C ATOM 873 OD1 ASP A 97 9.931 -3.036 11.398 1.00 0.00 O ATOM 874 OD2 ASP A 97 7.995 -3.781 12.129 1.00 0.00 O ATOM 0 H ASP A 97 8.491 -1.837 7.742 1.00 0.00 H new ATOM 0 HA ASP A 97 9.604 -4.053 8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.232 -1.807 9.748 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.985 -3.011 10.004 1.00 0.00 H new ATOM 879 N PHE A 98 6.889 -4.883 7.457 1.00 0.00 N ATOM 880 CA PHE A 98 5.991 -5.997 7.133 1.00 0.00 C ATOM 881 C PHE A 98 4.832 -6.081 8.126 1.00 0.00 C ATOM 882 O PHE A 98 4.884 -6.832 9.101 1.00 0.00 O ATOM 883 CB PHE A 98 6.758 -7.328 7.081 1.00 0.00 C ATOM 884 CG PHE A 98 7.458 -7.567 5.770 1.00 0.00 C ATOM 885 CD1 PHE A 98 6.735 -7.901 4.638 1.00 0.00 C ATOM 886 CD2 PHE A 98 8.836 -7.455 5.675 1.00 0.00 C ATOM 887 CE1 PHE A 98 7.373 -8.120 3.433 1.00 0.00 C ATOM 888 CE2 PHE A 98 9.480 -7.674 4.472 1.00 0.00 C ATOM 889 CZ PHE A 98 8.747 -8.006 3.349 1.00 0.00 C ATOM 0 H PHE A 98 6.828 -4.098 6.809 1.00 0.00 H new ATOM 0 HA PHE A 98 5.574 -5.806 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.494 -7.346 7.885 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.063 -8.146 7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.660 -7.991 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.413 -7.194 6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.798 -8.380 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 98 10.555 -7.586 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.247 -8.176 2.407 1.00 0.00 H new ATOM 899 N ASN A 99 3.787 -5.296 7.858 1.00 0.00 N ATOM 900 CA ASN A 99 2.603 -5.259 8.717 1.00 0.00 C ATOM 901 C ASN A 99 1.320 -5.334 7.891 1.00 0.00 C ATOM 902 O ASN A 99 0.581 -4.354 7.776 1.00 0.00 O ATOM 903 CB ASN A 99 2.581 -3.981 9.548 1.00 0.00 C ATOM 904 CG ASN A 99 3.908 -3.682 10.216 1.00 0.00 C ATOM 905 OD1 ASN A 99 4.881 -3.325 9.552 1.00 0.00 O ATOM 906 ND2 ASN A 99 3.956 -3.826 11.537 1.00 0.00 N ATOM 0 H ASN A 99 3.737 -4.676 7.050 1.00 0.00 H new ATOM 0 HA ASN A 99 2.654 -6.125 9.377 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.307 -3.143 8.907 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.808 -4.065 10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.824 -3.638 12.039 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.125 -4.124 12.048 1.00 0.00 H new ATOM 913 N PHE A 100 1.068 -6.496 7.311 1.00 0.00 N ATOM 914 CA PHE A 100 -0.123 -6.707 6.485 1.00 0.00 C ATOM 915 C PHE A 100 -1.403 -6.248 7.192 1.00 0.00 C ATOM 916 O PHE A 100 -1.463 -6.180 8.419 1.00 0.00 O ATOM 917 CB PHE A 100 -0.241 -8.177 6.076 1.00 0.00 C ATOM 918 CG PHE A 100 -0.036 -9.140 7.210 1.00 0.00 C ATOM 919 CD1 PHE A 100 1.238 -9.455 7.644 1.00 0.00 C ATOM 920 CD2 PHE A 100 -1.120 -9.729 7.832 1.00 0.00 C ATOM 921 CE1 PHE A 100 1.430 -10.344 8.681 1.00 0.00 C ATOM 922 CE2 PHE A 100 -0.938 -10.616 8.871 1.00 0.00 C ATOM 923 CZ PHE A 100 0.339 -10.927 9.297 1.00 0.00 C ATOM 0 H PHE A 100 1.671 -7.314 7.394 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.006 -6.096 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.227 -8.346 5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 100 0.491 -8.387 5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.093 -9.000 7.166 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.120 -9.492 7.501 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.430 -10.584 9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.793 -11.068 9.352 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.484 -11.624 10.109 1.00 0.00 H new ATOM 933 N ALA A 101 -2.420 -5.932 6.388 1.00 0.00 N ATOM 934 CA ALA A 101 -3.707 -5.464 6.897 1.00 0.00 C ATOM 935 C ALA A 101 -4.864 -5.929 6.007 1.00 0.00 C ATOM 936 O ALA A 101 -4.659 -6.288 4.846 1.00 0.00 O ATOM 937 CB ALA A 101 -3.696 -3.941 6.995 1.00 0.00 C ATOM 0 H ALA A 101 -2.374 -5.993 5.371 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.859 -5.892 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.657 -3.594 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.903 -3.626 7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.521 -3.514 6.008 1.00 0.00 H new ATOM 943 N TRP A 102 -6.078 -5.913 6.563 1.00 0.00 N ATOM 944 CA TRP A 102 -7.277 -6.328 5.831 1.00 0.00 C ATOM 945 C TRP A 102 -8.263 -5.164 5.693 1.00 0.00 C ATOM 946 O TRP A 102 -8.862 -4.731 6.680 1.00 0.00 O ATOM 947 CB TRP A 102 -7.962 -7.507 6.542 1.00 0.00 C ATOM 948 CG TRP A 102 -7.035 -8.640 6.877 1.00 0.00 C ATOM 949 CD1 TRP A 102 -5.911 -9.014 6.196 1.00 0.00 C ATOM 950 CD2 TRP A 102 -7.157 -9.551 7.979 1.00 0.00 C ATOM 951 NE1 TRP A 102 -5.328 -10.098 6.807 1.00 0.00 N ATOM 952 CE2 TRP A 102 -6.074 -10.447 7.902 1.00 0.00 C ATOM 953 CE3 TRP A 102 -8.075 -9.694 9.023 1.00 0.00 C ATOM 954 CZ2 TRP A 102 -5.885 -11.470 8.829 1.00 0.00 C ATOM 955 CZ3 TRP A 102 -7.887 -10.710 9.942 1.00 0.00 C ATOM 956 CH2 TRP A 102 -6.800 -11.587 9.839 1.00 0.00 C ATOM 0 H TRP A 102 -6.257 -5.616 7.522 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.968 -6.644 4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.424 -7.145 7.461 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.765 -7.883 5.908 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -5.536 -8.529 5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -4.477 -10.567 6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.917 -9.023 9.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.046 -12.146 8.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.590 -10.829 10.753 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.682 -12.372 10.572 1.00 0.00 H new ATOM 967 N VAL A 103 -8.427 -4.664 4.466 1.00 0.00 N ATOM 968 CA VAL A 103 -9.341 -3.548 4.197 1.00 0.00 C ATOM 969 C VAL A 103 -10.096 -3.752 2.882 1.00 0.00 C ATOM 970 O VAL A 103 -9.698 -4.566 2.049 1.00 0.00 O ATOM 971 CB VAL A 103 -8.590 -2.199 4.134 1.00 0.00 C ATOM 972 CG1 VAL A 103 -7.963 -1.865 5.479 1.00 0.00 C ATOM 973 CG2 VAL A 103 -7.535 -2.220 3.035 1.00 0.00 C ATOM 0 H VAL A 103 -7.939 -5.014 3.641 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.051 -3.524 5.024 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.313 -1.419 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.440 -0.911 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.743 -1.797 6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.256 -2.647 5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.018 -1.261 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.816 -3.014 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.015 -2.401 2.073 1.00 0.00 H new ATOM 983 N LYS A 104 -11.180 -2.999 2.696 1.00 0.00 N ATOM 984 CA LYS A 104 -11.982 -3.094 1.475 1.00 0.00 C ATOM 985 C LYS A 104 -11.332 -2.305 0.336 1.00 0.00 C ATOM 986 O LYS A 104 -10.504 -1.424 0.573 1.00 0.00 O ATOM 987 CB LYS A 104 -13.403 -2.576 1.722 1.00 0.00 C ATOM 988 CG LYS A 104 -14.467 -3.293 0.904 1.00 0.00 C ATOM 989 CD LYS A 104 -15.805 -3.321 1.627 1.00 0.00 C ATOM 990 CE LYS A 104 -16.623 -4.549 1.251 1.00 0.00 C ATOM 991 NZ LYS A 104 -18.064 -4.390 1.593 1.00 0.00 N ATOM 0 H LYS A 104 -11.523 -2.318 3.373 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.034 -4.144 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.639 -2.681 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.437 -1.511 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -14.583 -2.795 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.143 -4.313 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -15.637 -3.312 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -16.369 -2.420 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.523 -4.737 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -16.223 -5.422 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.582 -5.249 1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.163 -4.237 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.454 -3.573 1.081 1.00 0.00 H new ATOM 1005 N ARG A 105 -11.725 -2.622 -0.900 1.00 0.00 N ATOM 1006 CA ARG A 105 -11.191 -1.941 -2.086 1.00 0.00 C ATOM 1007 C ARG A 105 -11.416 -0.426 -2.014 1.00 0.00 C ATOM 1008 O ARG A 105 -10.697 0.341 -2.654 1.00 0.00 O ATOM 1009 CB ARG A 105 -11.836 -2.494 -3.362 1.00 0.00 C ATOM 1010 CG ARG A 105 -11.857 -4.014 -3.439 1.00 0.00 C ATOM 1011 CD ARG A 105 -13.233 -4.545 -3.818 1.00 0.00 C ATOM 1012 NE ARG A 105 -14.291 -4.017 -2.953 1.00 0.00 N ATOM 1013 CZ ARG A 105 -15.557 -4.436 -2.986 1.00 0.00 C ATOM 1014 NH1 ARG A 105 -15.926 -5.399 -3.827 1.00 0.00 N ATOM 1015 NH2 ARG A 105 -16.459 -3.891 -2.178 1.00 0.00 N ATOM 0 H ARG A 105 -12.412 -3.347 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.118 -2.129 -2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.859 -2.123 -3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.298 -2.104 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.124 -4.350 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.560 -4.430 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.449 -4.282 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.229 -5.633 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.045 -3.286 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.239 -5.821 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.896 -5.715 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.184 -3.151 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.427 -4.212 -2.204 1.00 0.00 H new ATOM 1029 N ASN A 106 -12.413 -0.006 -1.236 1.00 0.00 N ATOM 1030 CA ASN A 106 -12.729 1.415 -1.080 1.00 0.00 C ATOM 1031 C ASN A 106 -11.566 2.180 -0.448 1.00 0.00 C ATOM 1032 O ASN A 106 -11.284 3.316 -0.827 1.00 0.00 O ATOM 1033 CB ASN A 106 -13.988 1.590 -0.226 1.00 0.00 C ATOM 1034 CG ASN A 106 -15.246 1.149 -0.949 1.00 0.00 C ATOM 1035 OD1 ASN A 106 -15.881 1.936 -1.650 1.00 0.00 O ATOM 1036 ND2 ASN A 106 -15.614 -0.117 -0.781 1.00 0.00 N ATOM 0 H ASN A 106 -13.018 -0.631 -0.702 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.907 1.824 -2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.882 1.016 0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.086 2.637 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.452 -0.470 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.058 -0.736 -0.191 1.00 0.00 H new ATOM 1043 N SER A 107 -10.893 1.551 0.516 1.00 0.00 N ATOM 1044 CA SER A 107 -9.760 2.178 1.193 1.00 0.00 C ATOM 1045 C SER A 107 -8.430 1.778 0.543 1.00 0.00 C ATOM 1046 O SER A 107 -7.364 1.963 1.134 1.00 0.00 O ATOM 1047 CB SER A 107 -9.752 1.793 2.676 1.00 0.00 C ATOM 1048 OG SER A 107 -10.995 2.097 3.289 1.00 0.00 O ATOM 0 H SER A 107 -11.113 0.611 0.844 1.00 0.00 H new ATOM 0 HA SER A 107 -9.872 3.258 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.544 0.728 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.950 2.325 3.189 1.00 0.00 H new ATOM 0 HG SER A 107 -10.965 1.840 4.234 1.00 0.00 H new ATOM 1054 N VAL A 108 -8.499 1.231 -0.674 1.00 0.00 N ATOM 1055 CA VAL A 108 -7.306 0.806 -1.397 1.00 0.00 C ATOM 1056 C VAL A 108 -7.298 1.362 -2.825 1.00 0.00 C ATOM 1057 O VAL A 108 -8.329 1.380 -3.495 1.00 0.00 O ATOM 1058 CB VAL A 108 -7.214 -0.732 -1.448 1.00 0.00 C ATOM 1059 CG1 VAL A 108 -5.957 -1.179 -2.180 1.00 0.00 C ATOM 1060 CG2 VAL A 108 -7.255 -1.321 -0.043 1.00 0.00 C ATOM 0 H VAL A 108 -9.372 1.074 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.443 1.199 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.077 -1.103 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.916 -2.268 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.975 -0.796 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.078 -0.793 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.189 -2.407 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.416 -0.937 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.190 -1.040 0.442 1.00 0.00 H new ATOM 1070 N LYS A 109 -6.128 1.811 -3.280 1.00 0.00 N ATOM 1071 CA LYS A 109 -5.981 2.366 -4.626 1.00 0.00 C ATOM 1072 C LYS A 109 -4.819 1.707 -5.369 1.00 0.00 C ATOM 1073 O LYS A 109 -3.877 1.215 -4.747 1.00 0.00 O ATOM 1074 CB LYS A 109 -5.757 3.879 -4.555 1.00 0.00 C ATOM 1075 CG LYS A 109 -6.985 4.660 -4.115 1.00 0.00 C ATOM 1076 CD LYS A 109 -6.867 6.133 -4.475 1.00 0.00 C ATOM 1077 CE LYS A 109 -7.957 6.963 -3.812 1.00 0.00 C ATOM 1078 NZ LYS A 109 -7.601 8.411 -3.747 1.00 0.00 N ATOM 0 H LYS A 109 -5.266 1.801 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.901 2.163 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -4.940 4.084 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.442 4.237 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.873 4.239 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.116 4.557 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.889 6.505 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.928 6.249 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.889 6.844 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.134 6.588 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.372 8.938 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.726 8.529 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.457 8.777 -4.710 1.00 0.00 H new ATOM 1092 N PRO A 110 -4.867 1.691 -6.717 1.00 0.00 N ATOM 1093 CA PRO A 110 -3.806 1.091 -7.538 1.00 0.00 C ATOM 1094 C PRO A 110 -2.529 1.931 -7.541 1.00 0.00 C ATOM 1095 O PRO A 110 -2.545 3.098 -7.936 1.00 0.00 O ATOM 1096 CB PRO A 110 -4.426 1.044 -8.936 1.00 0.00 C ATOM 1097 CG PRO A 110 -5.420 2.154 -8.946 1.00 0.00 C ATOM 1098 CD PRO A 110 -5.952 2.257 -7.543 1.00 0.00 C ATOM 0 HA PRO A 110 -3.499 0.115 -7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.670 1.182 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.904 0.083 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.955 3.090 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.224 1.949 -9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.166 3.290 -7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.880 1.697 -7.424 1.00 0.00 H new ATOM 1106 N LEU A 111 -1.427 1.331 -7.093 1.00 0.00 N ATOM 1107 CA LEU A 111 -0.141 2.023 -7.043 1.00 0.00 C ATOM 1108 C LEU A 111 0.725 1.657 -8.248 1.00 0.00 C ATOM 1109 O LEU A 111 0.866 0.479 -8.586 1.00 0.00 O ATOM 1110 CB LEU A 111 0.596 1.680 -5.740 1.00 0.00 C ATOM 1111 CG LEU A 111 1.206 2.871 -4.992 1.00 0.00 C ATOM 1112 CD1 LEU A 111 2.112 2.386 -3.870 1.00 0.00 C ATOM 1113 CD2 LEU A 111 1.975 3.773 -5.946 1.00 0.00 C ATOM 0 H LEU A 111 -1.399 0.367 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.332 3.096 -7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.100 1.172 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.392 0.971 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 111 0.394 3.452 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.537 3.244 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.533 1.786 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.916 1.780 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.399 4.611 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.778 3.205 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.300 4.150 -6.714 1.00 0.00 H new ATOM 1125 N LEU A 112 1.306 2.670 -8.896 1.00 0.00 N ATOM 1126 CA LEU A 112 2.158 2.453 -10.062 1.00 0.00 C ATOM 1127 C LEU A 112 3.625 2.710 -9.730 1.00 0.00 C ATOM 1128 O LEU A 112 3.949 3.193 -8.645 1.00 0.00 O ATOM 1129 CB LEU A 112 1.730 3.365 -11.213 1.00 0.00 C ATOM 1130 CG LEU A 112 0.350 3.076 -11.800 1.00 0.00 C ATOM 1131 CD1 LEU A 112 0.069 4.021 -12.955 1.00 0.00 C ATOM 1132 CD2 LEU A 112 0.250 1.627 -12.258 1.00 0.00 C ATOM 0 H LEU A 112 1.200 3.649 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 112 2.046 1.411 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.748 4.397 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.469 3.286 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.398 3.236 -11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.917 3.808 -13.368 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.098 5.051 -12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.824 3.884 -13.729 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.741 1.444 -12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.004 1.434 -13.021 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.416 0.965 -11.408 1.00 0.00 H new ATOM 1144 N ASP A 113 4.506 2.396 -10.680 1.00 0.00 N ATOM 1145 CA ASP A 113 5.942 2.603 -10.492 1.00 0.00 C ATOM 1146 C ASP A 113 6.261 4.089 -10.392 1.00 0.00 C ATOM 1147 O ASP A 113 6.935 4.524 -9.456 1.00 0.00 O ATOM 1148 CB ASP A 113 6.741 1.977 -11.641 1.00 0.00 C ATOM 1149 CG ASP A 113 8.117 1.512 -11.201 1.00 0.00 C ATOM 1150 OD1 ASP A 113 8.852 2.316 -10.588 1.00 0.00 O ATOM 1151 OD2 ASP A 113 8.461 0.342 -11.469 1.00 0.00 O ATOM 0 H ASP A 113 4.252 1.999 -11.584 1.00 0.00 H new ATOM 0 HA ASP A 113 6.230 2.115 -9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.187 1.131 -12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.846 2.705 -12.446 1.00 0.00 H new ATOM 1156 N SER A 114 5.766 4.861 -11.359 1.00 0.00 N ATOM 1157 CA SER A 114 5.987 6.303 -11.380 1.00 0.00 C ATOM 1158 C SER A 114 5.459 6.949 -10.102 1.00 0.00 C ATOM 1159 O SER A 114 6.092 7.849 -9.553 1.00 0.00 O ATOM 1160 CB SER A 114 5.312 6.932 -12.603 1.00 0.00 C ATOM 1161 OG SER A 114 6.030 6.636 -13.788 1.00 0.00 O ATOM 0 H SER A 114 5.209 4.510 -12.138 1.00 0.00 H new ATOM 0 HA SER A 114 7.061 6.480 -11.441 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.291 6.561 -12.690 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.249 8.012 -12.472 1.00 0.00 H new ATOM 0 HG SER A 114 5.579 7.047 -14.555 1.00 0.00 H new ATOM 1167 N GLU A 115 4.301 6.478 -9.630 1.00 0.00 N ATOM 1168 CA GLU A 115 3.697 7.011 -8.410 1.00 0.00 C ATOM 1169 C GLU A 115 4.617 6.790 -7.207 1.00 0.00 C ATOM 1170 O GLU A 115 4.882 7.718 -6.444 1.00 0.00 O ATOM 1171 CB GLU A 115 2.334 6.357 -8.156 1.00 0.00 C ATOM 1172 CG GLU A 115 1.203 6.963 -8.970 1.00 0.00 C ATOM 1173 CD GLU A 115 0.507 8.095 -8.241 1.00 0.00 C ATOM 1174 OE1 GLU A 115 -0.438 7.816 -7.475 1.00 0.00 O ATOM 1175 OE2 GLU A 115 0.912 9.261 -8.433 1.00 0.00 O ATOM 0 H GLU A 115 3.766 5.731 -10.074 1.00 0.00 H new ATOM 0 HA GLU A 115 3.554 8.083 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.404 5.293 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.093 6.441 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 115 1.598 7.333 -9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.476 6.187 -9.209 1.00 0.00 H new ATOM 1182 N ILE A 116 5.112 5.558 -7.055 1.00 0.00 N ATOM 1183 CA ILE A 116 6.017 5.224 -5.956 1.00 0.00 C ATOM 1184 C ILE A 116 7.268 6.091 -6.032 1.00 0.00 C ATOM 1185 O ILE A 116 7.639 6.749 -5.059 1.00 0.00 O ATOM 1186 CB ILE A 116 6.430 3.731 -5.972 1.00 0.00 C ATOM 1187 CG1 ILE A 116 5.193 2.831 -5.896 1.00 0.00 C ATOM 1188 CG2 ILE A 116 7.382 3.423 -4.822 1.00 0.00 C ATOM 1189 CD1 ILE A 116 5.398 1.463 -6.510 1.00 0.00 C ATOM 0 H ILE A 116 4.901 4.779 -7.678 1.00 0.00 H new ATOM 0 HA ILE A 116 5.480 5.415 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 116 6.948 3.530 -6.910 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.905 2.711 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.363 3.326 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.660 2.369 -4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.278 4.037 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.890 3.642 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.480 0.882 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.656 1.572 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.206 0.948 -5.990 1.00 0.00 H new ATOM 1201 N ALA A 117 7.899 6.106 -7.211 1.00 0.00 N ATOM 1202 CA ALA A 117 9.094 6.917 -7.432 1.00 0.00 C ATOM 1203 C ALA A 117 8.808 8.380 -7.108 1.00 0.00 C ATOM 1204 O ALA A 117 9.671 9.097 -6.599 1.00 0.00 O ATOM 1205 CB ALA A 117 9.569 6.782 -8.873 1.00 0.00 C ATOM 0 H ALA A 117 7.600 5.566 -8.023 1.00 0.00 H new ATOM 0 HA ALA A 117 9.882 6.559 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.460 7.392 -9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.805 5.739 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.782 7.118 -9.548 1.00 0.00 H new ATOM 1211 N LYS A 118 7.585 8.808 -7.415 1.00 0.00 N ATOM 1212 CA LYS A 118 7.157 10.176 -7.167 1.00 0.00 C ATOM 1213 C LYS A 118 6.970 10.440 -5.684 1.00 0.00 C ATOM 1214 O LYS A 118 7.506 11.410 -5.150 1.00 0.00 O ATOM 1215 CB LYS A 118 5.852 10.465 -7.900 1.00 0.00 C ATOM 1216 CG LYS A 118 5.873 11.790 -8.618 1.00 0.00 C ATOM 1217 CD LYS A 118 5.854 11.594 -10.126 1.00 0.00 C ATOM 1218 CE LYS A 118 5.515 12.883 -10.864 1.00 0.00 C ATOM 1219 NZ LYS A 118 4.207 12.796 -11.575 1.00 0.00 N ATOM 0 H LYS A 118 6.870 8.218 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 118 7.941 10.836 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.659 9.669 -8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.028 10.456 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.012 12.386 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.764 12.349 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.827 11.232 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.124 10.826 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.487 13.710 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.303 13.107 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.017 13.694 -12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.241 12.024 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.450 12.609 -10.887 1.00 0.00 H new ATOM 1233 N PHE A 119 6.202 9.576 -5.024 1.00 0.00 N ATOM 1234 CA PHE A 119 5.942 9.722 -3.590 1.00 0.00 C ATOM 1235 C PHE A 119 7.239 9.980 -2.831 1.00 0.00 C ATOM 1236 O PHE A 119 7.325 10.905 -2.024 1.00 0.00 O ATOM 1237 CB PHE A 119 5.255 8.467 -3.042 1.00 0.00 C ATOM 1238 CG PHE A 119 5.151 8.430 -1.540 1.00 0.00 C ATOM 1239 CD1 PHE A 119 6.250 8.085 -0.765 1.00 0.00 C ATOM 1240 CD2 PHE A 119 3.957 8.731 -0.905 1.00 0.00 C ATOM 1241 CE1 PHE A 119 6.157 8.038 0.611 1.00 0.00 C ATOM 1242 CE2 PHE A 119 3.860 8.686 0.472 1.00 0.00 C ATOM 1243 CZ PHE A 119 4.963 8.337 1.227 1.00 0.00 C ATOM 0 H PHE A 119 5.750 8.770 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 119 5.281 10.577 -3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 119 4.253 8.399 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 119 5.805 7.588 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 119 7.189 7.851 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.093 9.004 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.019 7.767 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 119 2.925 8.923 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.888 8.299 2.304 1.00 0.00 H new ATOM 1253 N LEU A 120 8.247 9.153 -3.099 1.00 0.00 N ATOM 1254 CA LEU A 120 9.543 9.291 -2.446 1.00 0.00 C ATOM 1255 C LEU A 120 10.224 10.596 -2.850 1.00 0.00 C ATOM 1256 O LEU A 120 10.966 11.184 -2.060 1.00 0.00 O ATOM 1257 CB LEU A 120 10.436 8.103 -2.787 1.00 0.00 C ATOM 1258 CG LEU A 120 9.922 6.759 -2.272 1.00 0.00 C ATOM 1259 CD1 LEU A 120 10.102 5.675 -3.329 1.00 0.00 C ATOM 1260 CD2 LEU A 120 10.631 6.377 -0.979 1.00 0.00 C ATOM 0 H LEU A 120 8.190 8.381 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 120 9.379 9.313 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.546 8.045 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.429 8.280 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 120 8.857 6.854 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.730 4.726 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.545 5.946 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.160 5.578 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.253 5.417 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.703 6.300 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.445 7.140 -0.223 1.00 0.00 H new ATOM 1272 N GLY A 121 9.954 11.056 -4.075 1.00 0.00 N ATOM 1273 CA GLY A 121 10.533 12.299 -4.547 1.00 0.00 C ATOM 1274 C GLY A 121 9.720 13.520 -4.130 1.00 0.00 C ATOM 1275 O GLY A 121 9.972 14.626 -4.610 1.00 0.00 O ATOM 0 H GLY A 121 9.344 10.587 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.548 12.393 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.608 12.271 -5.634 1.00 0.00 H new ATOM 1369 N SER A 127 9.948 11.351 6.547 1.00 0.00 N ATOM 1370 CA SER A 127 10.161 10.467 7.681 1.00 0.00 C ATOM 1371 C SER A 127 10.875 9.201 7.225 1.00 0.00 C ATOM 1372 O SER A 127 10.541 8.642 6.180 1.00 0.00 O ATOM 1373 CB SER A 127 8.823 10.108 8.333 1.00 0.00 C ATOM 1374 OG SER A 127 8.972 9.913 9.728 1.00 0.00 O ATOM 0 HA SER A 127 10.781 10.981 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.100 10.903 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.424 9.202 7.877 1.00 0.00 H new ATOM 0 HG SER A 127 8.103 9.687 10.121 1.00 0.00 H new ATOM 1380 N LYS A 128 11.853 8.749 8.008 1.00 0.00 N ATOM 1381 CA LYS A 128 12.598 7.540 7.666 1.00 0.00 C ATOM 1382 C LYS A 128 11.639 6.369 7.485 1.00 0.00 C ATOM 1383 O LYS A 128 11.785 5.574 6.557 1.00 0.00 O ATOM 1384 CB LYS A 128 13.638 7.214 8.742 1.00 0.00 C ATOM 1385 CG LYS A 128 15.037 6.999 8.189 1.00 0.00 C ATOM 1386 CD LYS A 128 15.840 8.291 8.182 1.00 0.00 C ATOM 1387 CE LYS A 128 17.290 8.048 7.789 1.00 0.00 C ATOM 1388 NZ LYS A 128 18.171 7.845 8.976 1.00 0.00 N ATOM 0 H LYS A 128 12.146 9.197 8.876 1.00 0.00 H new ATOM 0 HA LYS A 128 13.125 7.716 6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.664 8.026 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 128 13.326 6.317 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 128 15.555 6.251 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 128 14.972 6.605 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.387 8.997 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 128 15.802 8.749 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.347 7.172 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.654 8.896 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 19.148 7.683 8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.139 8.690 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.841 7.020 9.516 1.00 0.00 H new ATOM 1402 N GLU A 129 10.643 6.288 8.371 1.00 0.00 N ATOM 1403 CA GLU A 129 9.638 5.232 8.307 1.00 0.00 C ATOM 1404 C GLU A 129 8.777 5.371 7.052 1.00 0.00 C ATOM 1405 O GLU A 129 8.329 4.370 6.491 1.00 0.00 O ATOM 1406 CB GLU A 129 8.742 5.258 9.551 1.00 0.00 C ATOM 1407 CG GLU A 129 8.004 6.576 9.754 1.00 0.00 C ATOM 1408 CD GLU A 129 7.167 6.592 11.019 1.00 0.00 C ATOM 1409 OE1 GLU A 129 6.151 5.866 11.068 1.00 0.00 O ATOM 1410 OE2 GLU A 129 7.529 7.326 11.959 1.00 0.00 O ATOM 0 H GLU A 129 10.514 6.944 9.141 1.00 0.00 H new ATOM 0 HA GLU A 129 10.164 4.278 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.012 4.452 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.353 5.056 10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.728 7.390 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.360 6.762 8.895 1.00 0.00 H new ATOM 1417 N LEU A 130 8.544 6.614 6.612 1.00 0.00 N ATOM 1418 CA LEU A 130 7.729 6.851 5.426 1.00 0.00 C ATOM 1419 C LEU A 130 8.514 6.555 4.153 1.00 0.00 C ATOM 1420 O LEU A 130 8.021 5.858 3.265 1.00 0.00 O ATOM 1421 CB LEU A 130 7.199 8.290 5.407 1.00 0.00 C ATOM 1422 CG LEU A 130 6.152 8.582 4.326 1.00 0.00 C ATOM 1423 CD1 LEU A 130 4.821 7.934 4.675 1.00 0.00 C ATOM 1424 CD2 LEU A 130 5.983 10.082 4.135 1.00 0.00 C ATOM 0 H LEU A 130 8.905 7.458 7.057 1.00 0.00 H new ATOM 0 HA LEU A 130 6.878 6.171 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.765 8.514 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.040 8.969 5.269 1.00 0.00 H new ATOM 0 HG LEU A 130 6.504 8.154 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 130 4.093 8.154 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.952 6.855 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.463 8.328 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 130 5.236 10.269 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 130 5.658 10.534 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.934 10.520 3.832 1.00 0.00 H new ATOM 1436 N ILE A 131 9.738 7.073 4.068 1.00 0.00 N ATOM 1437 CA ILE A 131 10.573 6.839 2.894 1.00 0.00 C ATOM 1438 C ILE A 131 10.869 5.355 2.733 1.00 0.00 C ATOM 1439 O ILE A 131 10.652 4.788 1.663 1.00 0.00 O ATOM 1440 CB ILE A 131 11.907 7.616 2.958 1.00 0.00 C ATOM 1441 CG1 ILE A 131 11.652 9.118 3.125 1.00 0.00 C ATOM 1442 CG2 ILE A 131 12.729 7.349 1.704 1.00 0.00 C ATOM 1443 CD1 ILE A 131 12.889 9.905 3.503 1.00 0.00 C ATOM 0 H ILE A 131 10.169 7.651 4.790 1.00 0.00 H new ATOM 0 HA ILE A 131 10.009 7.201 2.035 1.00 0.00 H new ATOM 0 HB ILE A 131 12.469 7.270 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.250 9.515 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.890 9.266 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 131 13.667 7.901 1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 131 12.940 6.282 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.169 7.672 0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.633 10.960 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 131 13.281 9.535 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.646 9.788 2.727 1.00 0.00 H new ATOM 1455 N GLU A 132 11.351 4.723 3.804 1.00 0.00 N ATOM 1456 CA GLU A 132 11.658 3.296 3.770 1.00 0.00 C ATOM 1457 C GLU A 132 10.435 2.497 3.322 1.00 0.00 C ATOM 1458 O GLU A 132 10.570 1.441 2.704 1.00 0.00 O ATOM 1459 CB GLU A 132 12.128 2.810 5.141 1.00 0.00 C ATOM 1460 CG GLU A 132 13.617 2.999 5.377 1.00 0.00 C ATOM 1461 CD GLU A 132 14.041 2.579 6.770 1.00 0.00 C ATOM 1462 OE1 GLU A 132 13.967 1.369 7.074 1.00 0.00 O ATOM 1463 OE2 GLU A 132 14.444 3.461 7.559 1.00 0.00 O ATOM 0 H GLU A 132 11.536 5.175 4.700 1.00 0.00 H new ATOM 0 HA GLU A 132 12.463 3.140 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.576 3.343 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.884 1.753 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 132 14.175 2.420 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.876 4.046 5.222 1.00 0.00 H new ATOM 1470 N ALA A 133 9.244 3.016 3.626 1.00 0.00 N ATOM 1471 CA ALA A 133 8.001 2.356 3.246 1.00 0.00 C ATOM 1472 C ALA A 133 7.876 2.265 1.737 1.00 0.00 C ATOM 1473 O ALA A 133 7.748 1.174 1.179 1.00 0.00 O ATOM 1474 CB ALA A 133 6.808 3.097 3.825 1.00 0.00 C ATOM 0 H ALA A 133 9.118 3.891 4.134 1.00 0.00 H new ATOM 0 HA ALA A 133 8.018 1.344 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 133 5.888 2.591 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.882 3.113 4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 133 6.796 4.119 3.447 1.00 0.00 H new ATOM 1480 N TYR A 134 7.923 3.418 1.078 1.00 0.00 N ATOM 1481 CA TYR A 134 7.824 3.451 -0.376 1.00 0.00 C ATOM 1482 C TYR A 134 9.091 2.884 -1.003 1.00 0.00 C ATOM 1483 O TYR A 134 9.052 2.314 -2.092 1.00 0.00 O ATOM 1484 CB TYR A 134 7.556 4.869 -0.878 1.00 0.00 C ATOM 1485 CG TYR A 134 6.101 5.113 -1.215 1.00 0.00 C ATOM 1486 CD1 TYR A 134 5.149 5.247 -0.212 1.00 0.00 C ATOM 1487 CD2 TYR A 134 5.682 5.215 -2.534 1.00 0.00 C ATOM 1488 CE1 TYR A 134 3.822 5.480 -0.516 1.00 0.00 C ATOM 1489 CE2 TYR A 134 4.356 5.446 -2.845 1.00 0.00 C ATOM 1490 CZ TYR A 134 3.432 5.578 -1.834 1.00 0.00 C ATOM 1491 OH TYR A 134 2.115 5.821 -2.143 1.00 0.00 O ATOM 0 H TYR A 134 8.028 4.331 1.521 1.00 0.00 H new ATOM 0 HA TYR A 134 6.980 2.830 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 134 7.872 5.583 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 134 8.164 5.056 -1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 134 5.451 5.168 0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 134 6.404 5.112 -3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 134 3.094 5.585 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 134 4.046 5.523 -3.877 1.00 0.00 H new ATOM 0 HH TYR A 134 2.010 5.862 -3.116 1.00 0.00 H new ATOM 1501 N GLU A 135 10.210 3.020 -0.290 1.00 0.00 N ATOM 1502 CA GLU A 135 11.485 2.490 -0.756 1.00 0.00 C ATOM 1503 C GLU A 135 11.444 0.964 -0.762 1.00 0.00 C ATOM 1504 O GLU A 135 12.051 0.324 -1.623 1.00 0.00 O ATOM 1505 CB GLU A 135 12.624 2.977 0.143 1.00 0.00 C ATOM 1506 CG GLU A 135 13.986 2.951 -0.533 1.00 0.00 C ATOM 1507 CD GLU A 135 15.091 2.503 0.405 1.00 0.00 C ATOM 1508 OE1 GLU A 135 15.148 1.297 0.724 1.00 0.00 O ATOM 1509 OE2 GLU A 135 15.899 3.360 0.819 1.00 0.00 O ATOM 0 H GLU A 135 10.256 3.493 0.612 1.00 0.00 H new ATOM 0 HA GLU A 135 11.662 2.847 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.409 3.995 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 135 12.660 2.356 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 135 13.949 2.281 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 135 14.218 3.945 -0.914 1.00 0.00 H new ATOM 1516 N ALA A 136 10.709 0.384 0.195 1.00 0.00 N ATOM 1517 CA ALA A 136 10.578 -1.069 0.286 1.00 0.00 C ATOM 1518 C ALA A 136 9.741 -1.601 -0.875 1.00 0.00 C ATOM 1519 O ALA A 136 10.058 -2.636 -1.462 1.00 0.00 O ATOM 1520 CB ALA A 136 9.956 -1.470 1.615 1.00 0.00 C ATOM 0 H ALA A 136 10.199 0.899 0.913 1.00 0.00 H new ATOM 0 HA ALA A 136 11.574 -1.508 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 136 9.867 -2.555 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 136 10.588 -1.121 2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 136 8.967 -1.021 1.704 1.00 0.00 H new ATOM 1526 N SER A 137 8.673 -0.871 -1.203 1.00 0.00 N ATOM 1527 CA SER A 137 7.779 -1.244 -2.300 1.00 0.00 C ATOM 1528 C SER A 137 8.372 -0.853 -3.662 1.00 0.00 C ATOM 1529 O SER A 137 7.967 -1.386 -4.696 1.00 0.00 O ATOM 1530 CB SER A 137 6.414 -0.573 -2.113 1.00 0.00 C ATOM 1531 OG SER A 137 5.359 -1.494 -2.321 1.00 0.00 O ATOM 0 H SER A 137 8.406 -0.013 -0.721 1.00 0.00 H new ATOM 0 HA SER A 137 7.658 -2.327 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.345 -0.157 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 137 6.316 0.260 -2.810 1.00 0.00 H new ATOM 0 HG SER A 137 4.499 -1.041 -2.194 1.00 0.00 H new ATOM 1537 N LYS A 138 9.326 0.086 -3.654 1.00 0.00 N ATOM 1538 CA LYS A 138 9.977 0.563 -4.880 1.00 0.00 C ATOM 1539 C LYS A 138 10.635 -0.569 -5.677 1.00 0.00 C ATOM 1540 O LYS A 138 10.879 -0.422 -6.875 1.00 0.00 O ATOM 1541 CB LYS A 138 11.028 1.623 -4.532 1.00 0.00 C ATOM 1542 CG LYS A 138 11.569 2.378 -5.738 1.00 0.00 C ATOM 1543 CD LYS A 138 10.464 3.112 -6.486 1.00 0.00 C ATOM 1544 CE LYS A 138 11.025 4.149 -7.446 1.00 0.00 C ATOM 1545 NZ LYS A 138 12.146 3.611 -8.269 1.00 0.00 N ATOM 0 H LYS A 138 9.667 0.534 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 138 9.198 0.994 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 138 10.591 2.338 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 138 11.858 1.141 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 138 12.324 3.093 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 138 12.063 1.679 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.860 2.393 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.802 3.600 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.230 4.499 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.374 5.013 -6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.338 4.259 -9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 12.998 3.523 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 11.885 2.676 -8.643 1.00 0.00 H new ATOM 1559 N THR A 139 10.929 -1.690 -5.014 1.00 0.00 N ATOM 1560 CA THR A 139 11.566 -2.832 -5.675 1.00 0.00 C ATOM 1561 C THR A 139 10.561 -3.966 -5.906 1.00 0.00 C ATOM 1562 O THR A 139 10.345 -4.800 -5.027 1.00 0.00 O ATOM 1563 CB THR A 139 12.748 -3.345 -4.841 1.00 0.00 C ATOM 1564 OG1 THR A 139 13.500 -2.265 -4.315 1.00 0.00 O ATOM 1565 CG2 THR A 139 13.699 -4.227 -5.622 1.00 0.00 C ATOM 0 H THR A 139 10.737 -1.831 -4.022 1.00 0.00 H new ATOM 0 HA THR A 139 11.934 -2.494 -6.644 1.00 0.00 H new ATOM 0 HB THR A 139 12.299 -3.939 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 139 14.247 -2.614 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 139 14.510 -4.554 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 139 13.162 -5.098 -5.998 1.00 0.00 H new ATOM 0 HG23 THR A 139 14.111 -3.665 -6.461 1.00 0.00 H new