USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 398 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 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -2.38 K(o=-2.4,f=-4!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.266 USER MOD Set 2.2: A 19 HIS : no HE2:sc= 0.737 K(o=0.47,f=-6.1!) USER MOD Single : A 13 HIS : no HD1:sc= -6.84! C(o=-6.8!,f=-6.3!) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00174 USER MOD Single : A 15 TYR OH : rot 22:sc= 2.03 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 36 GLN : amide:sc=-0.00648 K(o=-0.0065,f=-1.8!) USER MOD Single : A 37 SER OG : rot 36:sc= 0.35 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.846 (180deg=0.82) USER MOD Single : A 44 GLN : amide:sc= -2.41 K(o=-2.4,f=-6.3!) USER MOD Single : A 45 SER OG : rot 180:sc= -3.32! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.037 K(o=-0.037,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -1.237 -3.248 18.139 1.00 0.00 N ATOM 98 CA LEU A 8 0.123 -3.674 18.578 1.00 0.00 C ATOM 99 C LEU A 8 0.018 -4.603 19.790 1.00 0.00 C ATOM 100 O LEU A 8 -0.881 -4.485 20.599 1.00 0.00 O ATOM 101 CB LEU A 8 0.842 -2.380 18.955 1.00 0.00 C ATOM 102 CG LEU A 8 2.298 -2.690 19.308 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.079 -2.998 18.028 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.923 -1.481 20.008 1.00 0.00 C ATOM 0 HA LEU A 8 0.655 -4.223 17.801 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.800 -1.673 18.126 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.344 -1.908 19.802 1.00 0.00 H new ATOM 0 HG LEU A 8 2.334 -3.553 19.973 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.116 -3.219 18.279 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.635 -3.860 17.529 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.042 -2.135 17.363 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.960 -1.702 20.259 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.887 -0.617 19.344 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.368 -1.261 20.920 1.00 0.00 H new ATOM 116 N VAL A 9 0.930 -5.527 19.923 1.00 0.00 N ATOM 117 CA VAL A 9 0.878 -6.462 21.085 1.00 0.00 C ATOM 118 C VAL A 9 2.279 -6.981 21.414 1.00 0.00 C ATOM 119 O VAL A 9 3.225 -6.757 20.685 1.00 0.00 O ATOM 120 CB VAL A 9 -0.021 -7.611 20.627 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.428 -7.080 20.348 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.554 -8.231 19.352 1.00 0.00 C ATOM 0 H VAL A 9 1.707 -5.676 19.280 1.00 0.00 H new ATOM 0 HA VAL A 9 0.500 -5.978 21.985 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.069 -8.368 21.409 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.068 -7.900 20.022 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.838 -6.640 21.257 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.382 -6.322 19.566 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.086 -9.050 19.025 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.603 -7.474 18.569 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.556 -8.611 19.552 1.00 0.00 H new ATOM 132 N ILE A 10 2.415 -7.683 22.505 1.00 0.00 N ATOM 133 CA ILE A 10 3.752 -8.227 22.883 1.00 0.00 C ATOM 134 C ILE A 10 3.725 -9.756 22.816 1.00 0.00 C ATOM 135 O ILE A 10 2.720 -10.379 23.095 1.00 0.00 O ATOM 136 CB ILE A 10 3.980 -7.755 24.319 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.878 -6.230 24.380 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.372 -8.192 24.783 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.115 -5.760 25.816 1.00 0.00 C ATOM 0 H ILE A 10 1.658 -7.904 23.152 1.00 0.00 H new ATOM 0 HA ILE A 10 4.545 -7.889 22.216 1.00 0.00 H new ATOM 0 HB ILE A 10 3.224 -8.194 24.970 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.612 -5.779 23.713 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.895 -5.907 24.038 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.536 -7.856 25.807 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.445 -9.279 24.741 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.127 -7.753 24.131 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.042 -4.673 25.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.364 -6.201 26.472 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.108 -6.071 26.141 1.00 0.00 H new ATOM 151 N ALA A 11 4.816 -10.367 22.446 1.00 0.00 N ATOM 152 CA ALA A 11 4.839 -11.854 22.361 1.00 0.00 C ATOM 153 C ALA A 11 5.030 -12.462 23.752 1.00 0.00 C ATOM 154 O ALA A 11 6.089 -12.370 24.337 1.00 0.00 O ATOM 155 CB ALA A 11 6.034 -12.181 21.465 1.00 0.00 C ATOM 0 H ALA A 11 5.690 -9.903 22.199 1.00 0.00 H new ATOM 0 HA ALA A 11 3.908 -12.258 21.964 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.119 -13.262 21.353 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.890 -11.725 20.486 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.946 -11.790 21.917 1.00 0.00 H new ATOM 161 N LEU A 12 4.020 -13.092 24.284 1.00 0.00 N ATOM 162 CA LEU A 12 4.164 -13.710 25.633 1.00 0.00 C ATOM 163 C LEU A 12 5.182 -14.849 25.564 1.00 0.00 C ATOM 164 O LEU A 12 5.807 -15.203 26.544 1.00 0.00 O ATOM 165 CB LEU A 12 2.775 -14.247 25.978 1.00 0.00 C ATOM 166 CG LEU A 12 2.700 -14.536 27.478 1.00 0.00 C ATOM 167 CD1 LEU A 12 3.622 -15.708 27.819 1.00 0.00 C ATOM 168 CD2 LEU A 12 3.140 -13.297 28.259 1.00 0.00 C ATOM 0 H LEU A 12 3.106 -13.206 23.847 1.00 0.00 H new ATOM 0 HA LEU A 12 4.516 -13.003 26.384 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.012 -13.520 25.698 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.573 -15.156 25.411 1.00 0.00 H new ATOM 0 HG LEU A 12 1.675 -14.790 27.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.569 -15.914 28.888 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.308 -16.592 27.263 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.647 -15.455 27.549 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.087 -13.503 29.328 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.165 -13.042 27.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.483 -12.462 28.017 1.00 0.00 H new ATOM 180 N HIS A 13 5.353 -15.420 24.403 1.00 0.00 N ATOM 181 CA HIS A 13 6.332 -16.533 24.249 1.00 0.00 C ATOM 182 C HIS A 13 6.792 -16.619 22.792 1.00 0.00 C ATOM 183 O HIS A 13 6.127 -16.142 21.895 1.00 0.00 O ATOM 184 CB HIS A 13 5.565 -17.794 24.648 1.00 0.00 C ATOM 185 CG HIS A 13 5.601 -17.950 26.144 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.511 -18.412 26.866 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.586 -17.706 27.068 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.865 -18.433 28.164 1.00 0.00 C ATOM 189 NE2 HIS A 13 6.119 -18.011 28.343 1.00 0.00 N ATOM 0 H HIS A 13 4.855 -15.162 23.551 1.00 0.00 H new ATOM 0 HA HIS A 13 7.224 -16.394 24.860 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.533 -17.729 24.303 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.007 -18.668 24.170 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.574 -17.334 26.840 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.214 -18.752 28.964 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.626 -17.930 29.225 1.00 0.00 H new ATOM 197 N SER A 14 7.921 -17.224 22.543 1.00 0.00 N ATOM 198 CA SER A 14 8.409 -17.332 21.137 1.00 0.00 C ATOM 199 C SER A 14 7.502 -18.268 20.336 1.00 0.00 C ATOM 200 O SER A 14 7.065 -19.290 20.826 1.00 0.00 O ATOM 201 CB SER A 14 9.816 -17.918 21.251 1.00 0.00 C ATOM 202 OG SER A 14 9.728 -19.307 21.533 1.00 0.00 O ATOM 0 H SER A 14 8.525 -17.647 23.248 1.00 0.00 H new ATOM 0 HA SER A 14 8.408 -16.371 20.623 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.364 -17.758 20.323 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.370 -17.410 22.040 1.00 0.00 H new ATOM 0 HG SER A 14 10.630 -19.684 21.605 1.00 0.00 H new ATOM 208 N TYR A 15 7.213 -17.933 19.107 1.00 0.00 N ATOM 209 CA TYR A 15 6.334 -18.817 18.289 1.00 0.00 C ATOM 210 C TYR A 15 7.180 -19.754 17.423 1.00 0.00 C ATOM 211 O TYR A 15 8.321 -19.472 17.117 1.00 0.00 O ATOM 212 CB TYR A 15 5.513 -17.875 17.409 1.00 0.00 C ATOM 213 CG TYR A 15 4.607 -18.695 16.523 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.391 -19.173 17.022 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.986 -18.986 15.207 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.553 -19.942 16.206 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.148 -19.754 14.391 1.00 0.00 C ATOM 218 CZ TYR A 15 2.932 -20.232 14.891 1.00 0.00 C ATOM 219 OH TYR A 15 2.105 -20.991 14.087 1.00 0.00 O ATOM 0 H TYR A 15 7.545 -17.091 18.637 1.00 0.00 H new ATOM 0 HA TYR A 15 5.698 -19.445 18.913 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.923 -17.200 18.029 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.173 -17.256 16.802 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.098 -18.949 18.037 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.925 -18.618 14.822 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.614 -20.311 16.592 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.440 -19.978 13.376 1.00 0.00 H new ATOM 0 HH TYR A 15 1.188 -20.950 14.430 1.00 0.00 H new ATOM 229 N GLU A 16 6.626 -20.867 17.025 1.00 0.00 N ATOM 230 CA GLU A 16 7.395 -21.824 16.178 1.00 0.00 C ATOM 231 C GLU A 16 7.007 -21.652 14.706 1.00 0.00 C ATOM 232 O GLU A 16 5.843 -21.692 14.362 1.00 0.00 O ATOM 233 CB GLU A 16 6.992 -23.210 16.681 1.00 0.00 C ATOM 234 CG GLU A 16 8.248 -24.010 17.032 1.00 0.00 C ATOM 235 CD GLU A 16 8.838 -24.617 15.757 1.00 0.00 C ATOM 236 OE1 GLU A 16 8.228 -25.528 15.222 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.889 -24.160 15.340 1.00 0.00 O ATOM 0 H GLU A 16 5.674 -21.155 17.250 1.00 0.00 H new ATOM 0 HA GLU A 16 8.471 -21.665 16.245 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.350 -23.118 17.557 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.416 -23.733 15.917 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.982 -23.363 17.513 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.003 -24.799 17.744 1.00 0.00 H new ATOM 244 N PRO A 17 8.005 -21.465 13.886 1.00 0.00 N ATOM 245 CA PRO A 17 7.725 -21.287 12.437 1.00 0.00 C ATOM 246 C PRO A 17 7.718 -22.643 11.724 1.00 0.00 C ATOM 247 O PRO A 17 8.719 -23.083 11.196 1.00 0.00 O ATOM 248 CB PRO A 17 8.878 -20.423 11.940 1.00 0.00 C ATOM 249 CG PRO A 17 9.991 -20.681 12.901 1.00 0.00 C ATOM 250 CD PRO A 17 9.361 -21.009 14.229 1.00 0.00 C ATOM 0 HA PRO A 17 6.752 -20.834 12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.164 -20.692 10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.604 -19.368 11.926 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.615 -21.506 12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.637 -19.807 12.986 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.920 -21.784 14.754 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.334 -20.137 14.883 1.00 0.00 H new ATOM 258 N SER A 18 6.596 -23.309 11.706 1.00 0.00 N ATOM 259 CA SER A 18 6.526 -24.635 11.027 1.00 0.00 C ATOM 260 C SER A 18 6.383 -24.445 9.514 1.00 0.00 C ATOM 261 O SER A 18 6.284 -25.398 8.766 1.00 0.00 O ATOM 262 CB SER A 18 5.282 -25.311 11.603 1.00 0.00 C ATOM 263 OG SER A 18 4.125 -24.809 10.951 1.00 0.00 O ATOM 0 H SER A 18 5.725 -22.993 12.132 1.00 0.00 H new ATOM 0 HA SER A 18 7.424 -25.231 11.190 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.348 -26.391 11.470 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.218 -25.125 12.675 1.00 0.00 H new ATOM 0 HG SER A 18 3.328 -25.244 11.319 1.00 0.00 H new ATOM 269 N HIS A 19 6.371 -23.222 9.058 1.00 0.00 N ATOM 270 CA HIS A 19 6.234 -22.973 7.594 1.00 0.00 C ATOM 271 C HIS A 19 7.245 -21.916 7.144 1.00 0.00 C ATOM 272 O HIS A 19 8.146 -21.553 7.873 1.00 0.00 O ATOM 273 CB HIS A 19 4.805 -22.464 7.409 1.00 0.00 C ATOM 274 CG HIS A 19 3.836 -23.587 7.649 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.937 -23.577 8.703 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.613 -24.765 6.978 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.221 -24.714 8.636 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.592 -25.475 7.603 1.00 0.00 N ATOM 0 H HIS A 19 6.450 -22.385 9.635 1.00 0.00 H new ATOM 0 HA HIS A 19 6.425 -23.868 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.607 -21.645 8.101 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.677 -22.068 6.402 1.00 0.00 H new ATOM 0 HD1 HIS A 19 2.836 -22.841 9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.149 -25.091 6.099 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.440 -24.979 9.333 1.00 0.00 H new ATOM 286 N ASP A 20 7.101 -21.416 5.947 1.00 0.00 N ATOM 287 CA ASP A 20 8.053 -20.381 5.451 1.00 0.00 C ATOM 288 C ASP A 20 7.383 -19.004 5.449 1.00 0.00 C ATOM 289 O ASP A 20 8.011 -17.998 5.187 1.00 0.00 O ATOM 290 CB ASP A 20 8.398 -20.812 4.025 1.00 0.00 C ATOM 291 CG ASP A 20 7.112 -20.956 3.210 1.00 0.00 C ATOM 292 OD1 ASP A 20 6.058 -20.654 3.746 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.202 -21.367 2.065 1.00 0.00 O ATOM 0 H ASP A 20 6.366 -21.679 5.291 1.00 0.00 H new ATOM 0 HA ASP A 20 8.941 -20.301 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.055 -20.077 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.939 -21.758 4.041 1.00 0.00 H new ATOM 298 N GLY A 21 6.111 -18.953 5.739 1.00 0.00 N ATOM 299 CA GLY A 21 5.402 -17.642 5.753 1.00 0.00 C ATOM 300 C GLY A 21 4.945 -17.320 7.177 1.00 0.00 C ATOM 301 O GLY A 21 4.351 -16.290 7.429 1.00 0.00 O ATOM 0 H GLY A 21 5.533 -19.762 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.062 -16.856 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.543 -17.675 5.083 1.00 0.00 H new ATOM 305 N ASP A 22 5.215 -18.190 8.113 1.00 0.00 N ATOM 306 CA ASP A 22 4.791 -17.928 9.518 1.00 0.00 C ATOM 307 C ASP A 22 5.871 -17.133 10.258 1.00 0.00 C ATOM 308 O ASP A 22 7.005 -17.058 9.827 1.00 0.00 O ATOM 309 CB ASP A 22 4.620 -19.311 10.146 1.00 0.00 C ATOM 310 CG ASP A 22 3.486 -20.056 9.439 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.853 -19.457 8.584 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.271 -21.212 9.762 1.00 0.00 O ATOM 0 H ASP A 22 5.710 -19.069 7.965 1.00 0.00 H new ATOM 0 HA ASP A 22 3.874 -17.341 9.569 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.548 -19.877 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.399 -19.215 11.209 1.00 0.00 H new ATOM 317 N LEU A 23 5.527 -16.539 11.367 1.00 0.00 N ATOM 318 CA LEU A 23 6.532 -15.749 12.135 1.00 0.00 C ATOM 319 C LEU A 23 6.798 -16.412 13.491 1.00 0.00 C ATOM 320 O LEU A 23 5.903 -16.586 14.293 1.00 0.00 O ATOM 321 CB LEU A 23 5.890 -14.374 12.324 1.00 0.00 C ATOM 322 CG LEU A 23 6.926 -13.400 12.887 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.166 -13.400 11.990 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.330 -11.991 12.932 1.00 0.00 C ATOM 0 H LEU A 23 4.593 -16.566 11.776 1.00 0.00 H new ATOM 0 HA LEU A 23 7.491 -15.683 11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.508 -14.005 11.372 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.039 -14.448 13.001 1.00 0.00 H new ATOM 0 HG LEU A 23 7.205 -13.709 13.894 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.905 -12.706 12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.591 -14.403 11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.886 -13.091 10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.068 -11.296 13.333 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.051 -11.682 11.925 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.446 -11.990 13.570 1.00 0.00 H new ATOM 336 N GLY A 24 8.022 -16.787 13.749 1.00 0.00 N ATOM 337 CA GLY A 24 8.343 -17.443 15.050 1.00 0.00 C ATOM 338 C GLY A 24 9.045 -16.447 15.974 1.00 0.00 C ATOM 339 O GLY A 24 10.126 -16.699 16.467 1.00 0.00 O ATOM 0 H GLY A 24 8.813 -16.668 13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.429 -17.807 15.520 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.982 -18.310 14.883 1.00 0.00 H new ATOM 343 N PHE A 25 8.442 -15.315 16.209 1.00 0.00 N ATOM 344 CA PHE A 25 9.070 -14.294 17.097 1.00 0.00 C ATOM 345 C PHE A 25 9.446 -14.901 18.452 1.00 0.00 C ATOM 346 O PHE A 25 9.173 -16.052 18.728 1.00 0.00 O ATOM 347 CB PHE A 25 7.990 -13.225 17.277 1.00 0.00 C ATOM 348 CG PHE A 25 6.742 -13.853 17.860 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.755 -14.375 17.011 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.569 -13.914 19.247 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.601 -14.957 17.551 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.413 -14.494 19.786 1.00 0.00 C ATOM 353 CZ PHE A 25 4.431 -15.015 18.937 1.00 0.00 C ATOM 0 H PHE A 25 7.536 -15.051 15.822 1.00 0.00 H new ATOM 0 HA PHE A 25 9.991 -13.895 16.672 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.353 -12.435 17.935 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.761 -12.761 16.318 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.885 -14.328 15.940 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.328 -13.513 19.903 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.843 -15.361 16.896 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.280 -14.539 20.857 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.540 -15.463 19.353 1.00 0.00 H new ATOM 363 N GLU A 26 10.069 -14.126 19.300 1.00 0.00 N ATOM 364 CA GLU A 26 10.465 -14.642 20.642 1.00 0.00 C ATOM 365 C GLU A 26 9.618 -13.976 21.731 1.00 0.00 C ATOM 366 O GLU A 26 8.790 -13.129 21.456 1.00 0.00 O ATOM 367 CB GLU A 26 11.936 -14.257 20.798 1.00 0.00 C ATOM 368 CG GLU A 26 12.744 -14.850 19.642 1.00 0.00 C ATOM 369 CD GLU A 26 14.218 -14.470 19.803 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.508 -13.651 20.660 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.031 -15.003 19.066 1.00 0.00 O ATOM 0 H GLU A 26 10.321 -13.154 19.120 1.00 0.00 H new ATOM 0 HA GLU A 26 10.315 -15.718 20.733 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.040 -13.172 20.809 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.320 -14.624 21.750 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.636 -15.935 19.628 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.364 -14.479 18.690 1.00 0.00 H new ATOM 378 N LYS A 27 9.819 -14.347 22.966 1.00 0.00 N ATOM 379 CA LYS A 27 9.024 -13.732 24.066 1.00 0.00 C ATOM 380 C LYS A 27 9.389 -12.254 24.227 1.00 0.00 C ATOM 381 O LYS A 27 10.546 -11.883 24.201 1.00 0.00 O ATOM 382 CB LYS A 27 9.404 -14.517 25.322 1.00 0.00 C ATOM 383 CG LYS A 27 8.624 -13.968 26.519 1.00 0.00 C ATOM 384 CD LYS A 27 8.912 -14.824 27.755 1.00 0.00 C ATOM 385 CE LYS A 27 7.910 -14.477 28.858 1.00 0.00 C ATOM 386 NZ LYS A 27 8.716 -14.448 30.111 1.00 0.00 N ATOM 0 H LYS A 27 10.498 -15.048 23.260 1.00 0.00 H new ATOM 0 HA LYS A 27 7.953 -13.773 23.868 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.183 -15.575 25.184 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.476 -14.437 25.504 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.908 -12.933 26.707 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.556 -13.971 26.302 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.840 -15.882 27.503 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.929 -14.648 28.104 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.434 -13.514 28.671 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.114 -15.219 28.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.099 -14.216 30.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.151 -15.380 30.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.461 -13.728 30.028 1.00 0.00 H new ATOM 400 N GLY A 28 8.409 -11.410 24.396 1.00 0.00 N ATOM 401 CA GLY A 28 8.692 -9.958 24.563 1.00 0.00 C ATOM 402 C GLY A 28 8.762 -9.289 23.190 1.00 0.00 C ATOM 403 O GLY A 28 8.700 -8.081 23.075 1.00 0.00 O ATOM 0 H GLY A 28 7.422 -11.665 24.426 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.913 -9.492 25.167 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.633 -9.819 25.095 1.00 0.00 H new ATOM 407 N GLU A 29 8.899 -10.060 22.146 1.00 0.00 N ATOM 408 CA GLU A 29 8.980 -9.457 20.784 1.00 0.00 C ATOM 409 C GLU A 29 7.701 -8.679 20.468 1.00 0.00 C ATOM 410 O GLU A 29 6.612 -9.214 20.505 1.00 0.00 O ATOM 411 CB GLU A 29 9.135 -10.644 19.833 1.00 0.00 C ATOM 412 CG GLU A 29 9.624 -10.143 18.472 1.00 0.00 C ATOM 413 CD GLU A 29 10.423 -11.250 17.779 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.321 -11.786 18.406 1.00 0.00 O ATOM 415 OE2 GLU A 29 10.122 -11.541 16.633 1.00 0.00 O ATOM 0 H GLU A 29 8.958 -11.078 22.176 1.00 0.00 H new ATOM 0 HA GLU A 29 9.807 -8.752 20.695 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.843 -11.364 20.244 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.182 -11.162 19.722 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.775 -9.850 17.854 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.245 -9.257 18.600 1.00 0.00 H new ATOM 422 N GLN A 30 7.828 -7.420 20.153 1.00 0.00 N ATOM 423 CA GLN A 30 6.620 -6.609 19.829 1.00 0.00 C ATOM 424 C GLN A 30 6.180 -6.887 18.390 1.00 0.00 C ATOM 425 O GLN A 30 6.986 -6.921 17.481 1.00 0.00 O ATOM 426 CB GLN A 30 7.062 -5.154 19.990 1.00 0.00 C ATOM 427 CG GLN A 30 7.448 -4.898 21.448 1.00 0.00 C ATOM 428 CD GLN A 30 7.941 -3.459 21.603 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.276 -2.811 20.631 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.003 -2.928 22.794 1.00 0.00 N ATOM 0 H GLN A 30 8.714 -6.918 20.106 1.00 0.00 H new ATOM 0 HA GLN A 30 5.773 -6.845 20.473 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.909 -4.945 19.336 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.256 -4.483 19.692 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.590 -5.071 22.098 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.227 -5.595 21.756 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.722 -3.472 23.610 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.333 -1.970 22.909 1.00 0.00 H new ATOM 439 N LEU A 31 4.910 -7.088 18.174 1.00 0.00 N ATOM 440 CA LEU A 31 4.427 -7.368 16.791 1.00 0.00 C ATOM 441 C LEU A 31 3.131 -6.601 16.515 1.00 0.00 C ATOM 442 O LEU A 31 2.427 -6.202 17.421 1.00 0.00 O ATOM 443 CB LEU A 31 4.166 -8.875 16.755 1.00 0.00 C ATOM 444 CG LEU A 31 5.355 -9.624 17.363 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.959 -11.079 17.626 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.535 -9.587 16.389 1.00 0.00 C ATOM 0 H LEU A 31 4.186 -7.071 18.893 1.00 0.00 H new ATOM 0 HA LEU A 31 5.150 -7.059 16.036 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.256 -9.109 17.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.007 -9.201 15.727 1.00 0.00 H new ATOM 0 HG LEU A 31 5.643 -9.148 18.301 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.805 -11.614 18.059 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.118 -11.108 18.319 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.672 -11.553 16.688 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.381 -10.120 16.822 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.248 -10.063 15.451 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.818 -8.552 16.199 1.00 0.00 H new ATOM 458 N ARG A 32 2.806 -6.403 15.267 1.00 0.00 N ATOM 459 CA ARG A 32 1.548 -5.675 14.930 1.00 0.00 C ATOM 460 C ARG A 32 0.530 -6.654 14.341 1.00 0.00 C ATOM 461 O ARG A 32 0.858 -7.477 13.510 1.00 0.00 O ATOM 462 CB ARG A 32 1.956 -4.626 13.894 1.00 0.00 C ATOM 463 CG ARG A 32 2.366 -5.318 12.594 1.00 0.00 C ATOM 464 CD ARG A 32 3.234 -4.369 11.764 1.00 0.00 C ATOM 465 NE ARG A 32 2.721 -4.503 10.372 1.00 0.00 N ATOM 466 CZ ARG A 32 3.074 -3.639 9.459 1.00 0.00 C ATOM 467 NH1 ARG A 32 3.263 -2.389 9.782 1.00 0.00 N ATOM 468 NH2 ARG A 32 3.237 -4.027 8.224 1.00 0.00 N ATOM 0 H ARG A 32 3.356 -6.713 14.466 1.00 0.00 H new ATOM 0 HA ARG A 32 1.084 -5.214 15.802 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.127 -3.943 13.708 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.783 -4.027 14.275 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.916 -6.233 12.814 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.480 -5.607 12.028 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.149 -3.342 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.288 -4.641 11.825 1.00 0.00 H new ATOM 0 HE ARG A 32 2.093 -5.270 10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.135 -2.087 10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.539 -1.714 9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.089 -5.004 7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.513 -3.353 7.510 1.00 0.00 H new ATOM 482 N ILE A 33 -0.701 -6.585 14.773 1.00 0.00 N ATOM 483 CA ILE A 33 -1.731 -7.528 14.243 1.00 0.00 C ATOM 484 C ILE A 33 -2.443 -6.927 13.028 1.00 0.00 C ATOM 485 O ILE A 33 -3.390 -6.176 13.159 1.00 0.00 O ATOM 486 CB ILE A 33 -2.714 -7.725 15.396 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.996 -8.387 16.574 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.868 -8.618 14.936 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.988 -8.603 17.719 1.00 0.00 C ATOM 0 H ILE A 33 -1.038 -5.919 15.468 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.291 -8.468 13.911 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.105 -6.756 15.708 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.569 -9.341 16.264 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.169 -7.761 16.908 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.569 -8.759 15.758 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.381 -8.146 14.098 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.477 -9.586 14.623 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.477 -9.075 18.559 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.394 -7.642 18.035 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.800 -9.246 17.380 1.00 0.00 H new ATOM 501 N LEU A 34 -1.992 -7.248 11.847 1.00 0.00 N ATOM 502 CA LEU A 34 -2.638 -6.691 10.625 1.00 0.00 C ATOM 503 C LEU A 34 -3.931 -7.450 10.304 1.00 0.00 C ATOM 504 O LEU A 34 -4.856 -6.899 9.741 1.00 0.00 O ATOM 505 CB LEU A 34 -1.613 -6.891 9.508 1.00 0.00 C ATOM 506 CG LEU A 34 -0.299 -6.208 9.893 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.872 -7.148 9.593 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.138 -4.919 9.084 1.00 0.00 C ATOM 0 H LEU A 34 -1.204 -7.872 11.675 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.911 -5.643 10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.446 -7.955 9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.991 -6.475 8.574 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.311 -5.971 10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.808 -6.662 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.758 -8.067 10.169 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.884 -7.386 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.798 -4.432 9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.126 -5.156 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.971 -4.249 9.297 1.00 0.00 H new ATOM 520 N GLU A 35 -4.009 -8.705 10.655 1.00 0.00 N ATOM 521 CA GLU A 35 -5.251 -9.478 10.363 1.00 0.00 C ATOM 522 C GLU A 35 -5.752 -10.175 11.630 1.00 0.00 C ATOM 523 O GLU A 35 -4.980 -10.680 12.420 1.00 0.00 O ATOM 524 CB GLU A 35 -4.843 -10.507 9.307 1.00 0.00 C ATOM 525 CG GLU A 35 -6.096 -11.173 8.736 1.00 0.00 C ATOM 526 CD GLU A 35 -5.687 -12.330 7.822 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.497 -12.499 7.609 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.570 -13.029 7.353 1.00 0.00 O ATOM 0 H GLU A 35 -3.271 -9.226 11.129 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.061 -8.838 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.280 -10.022 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.188 -11.258 9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.727 -11.540 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.685 -10.445 8.178 1.00 0.00 H new ATOM 535 N GLN A 36 -7.042 -10.205 11.830 1.00 0.00 N ATOM 536 CA GLN A 36 -7.595 -10.867 13.047 1.00 0.00 C ATOM 537 C GLN A 36 -8.842 -11.680 12.687 1.00 0.00 C ATOM 538 O GLN A 36 -9.945 -11.346 13.075 1.00 0.00 O ATOM 539 CB GLN A 36 -7.956 -9.719 13.989 1.00 0.00 C ATOM 540 CG GLN A 36 -8.138 -10.259 15.408 1.00 0.00 C ATOM 541 CD GLN A 36 -8.326 -9.089 16.376 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.103 -7.949 16.020 1.00 0.00 O ATOM 543 NE2 GLN A 36 -8.730 -9.323 17.595 1.00 0.00 N ATOM 0 H GLN A 36 -7.737 -9.800 11.203 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.886 -11.560 13.500 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.171 -8.963 13.975 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.872 -9.234 13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.002 -10.922 15.449 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.269 -10.850 15.698 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.918 -10.280 17.895 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.858 -8.549 18.247 1.00 0.00 H new ATOM 552 N SER A 37 -8.678 -12.743 11.950 1.00 0.00 N ATOM 553 CA SER A 37 -9.857 -13.574 11.569 1.00 0.00 C ATOM 554 C SER A 37 -9.568 -15.055 11.833 1.00 0.00 C ATOM 555 O SER A 37 -8.527 -15.568 11.473 1.00 0.00 O ATOM 556 CB SER A 37 -10.049 -13.324 10.073 1.00 0.00 C ATOM 557 OG SER A 37 -8.907 -13.785 9.366 1.00 0.00 O ATOM 0 H SER A 37 -7.781 -13.073 11.595 1.00 0.00 H new ATOM 0 HA SER A 37 -10.747 -13.317 12.143 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.942 -13.839 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.200 -12.261 9.887 1.00 0.00 H new ATOM 0 HG SER A 37 -8.557 -14.591 9.800 1.00 0.00 H new ATOM 563 N GLY A 38 -10.482 -15.745 12.459 1.00 0.00 N ATOM 564 CA GLY A 38 -10.260 -17.191 12.744 1.00 0.00 C ATOM 565 C GLY A 38 -9.421 -17.335 14.015 1.00 0.00 C ATOM 566 O GLY A 38 -9.299 -16.415 14.799 1.00 0.00 O ATOM 0 H GLY A 38 -11.373 -15.370 12.785 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.216 -17.700 12.867 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.752 -17.665 11.904 1.00 0.00 H new ATOM 570 N GLU A 39 -8.840 -18.484 14.225 1.00 0.00 N ATOM 571 CA GLU A 39 -8.008 -18.688 15.447 1.00 0.00 C ATOM 572 C GLU A 39 -6.611 -18.098 15.240 1.00 0.00 C ATOM 573 O GLU A 39 -5.975 -17.645 16.170 1.00 0.00 O ATOM 574 CB GLU A 39 -7.930 -20.204 15.624 1.00 0.00 C ATOM 575 CG GLU A 39 -9.320 -20.755 15.945 1.00 0.00 C ATOM 576 CD GLU A 39 -9.242 -22.275 16.104 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.189 -22.825 15.829 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.237 -22.861 16.499 1.00 0.00 O ATOM 0 H GLU A 39 -8.905 -19.291 13.604 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.432 -18.197 16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.545 -20.667 14.715 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.235 -20.451 16.427 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.700 -20.302 16.861 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.018 -20.497 15.148 1.00 0.00 H new ATOM 585 N TRP A 40 -6.127 -18.106 14.029 1.00 0.00 N ATOM 586 CA TRP A 40 -4.768 -17.549 13.765 1.00 0.00 C ATOM 587 C TRP A 40 -4.874 -16.122 13.220 1.00 0.00 C ATOM 588 O TRP A 40 -5.798 -15.785 12.509 1.00 0.00 O ATOM 589 CB TRP A 40 -4.160 -18.476 12.712 1.00 0.00 C ATOM 590 CG TRP A 40 -3.764 -19.767 13.351 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.478 -20.914 13.293 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.576 -20.064 14.140 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.804 -21.896 13.996 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.626 -21.420 14.537 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.472 -19.294 14.545 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.615 -21.994 15.309 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.452 -19.868 15.323 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.525 -21.215 15.704 1.00 0.00 C ATOM 0 H TRP A 40 -6.612 -18.474 13.211 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.161 -17.499 14.669 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.880 -18.659 11.914 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.291 -18.003 12.255 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.420 -21.042 12.781 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.136 -22.855 14.102 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.407 -18.255 14.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.675 -23.033 15.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.392 -19.268 15.629 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.261 -21.650 16.303 1.00 0.00 H new ATOM 609 N TRP A 41 -3.930 -15.282 13.548 1.00 0.00 N ATOM 610 CA TRP A 41 -3.972 -13.878 13.049 1.00 0.00 C ATOM 611 C TRP A 41 -2.667 -13.534 12.328 1.00 0.00 C ATOM 612 O TRP A 41 -1.635 -14.127 12.573 1.00 0.00 O ATOM 613 CB TRP A 41 -4.127 -13.016 14.302 1.00 0.00 C ATOM 614 CG TRP A 41 -5.474 -13.248 14.911 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.559 -13.709 14.247 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.895 -13.039 16.289 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.619 -13.796 15.131 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.259 -13.393 16.403 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.231 -12.579 17.442 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.941 -13.297 17.617 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.915 -12.480 18.664 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.267 -12.839 18.751 1.00 0.00 C ATOM 0 H TRP A 41 -3.131 -15.508 14.140 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.783 -13.719 12.338 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.345 -13.260 15.021 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.009 -11.963 14.047 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.592 -13.967 13.199 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.552 -14.118 14.875 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.189 -12.301 17.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.983 -13.575 17.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.396 -12.125 19.542 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.787 -12.761 19.694 1.00 0.00 H new ATOM 633 N LYS A 42 -2.702 -12.569 11.452 1.00 0.00 N ATOM 634 CA LYS A 42 -1.462 -12.172 10.727 1.00 0.00 C ATOM 635 C LYS A 42 -0.844 -10.959 11.419 1.00 0.00 C ATOM 636 O LYS A 42 -1.544 -10.109 11.934 1.00 0.00 O ATOM 637 CB LYS A 42 -1.924 -11.811 9.315 1.00 0.00 C ATOM 638 CG LYS A 42 -0.710 -11.721 8.388 1.00 0.00 C ATOM 639 CD LYS A 42 -1.156 -11.225 7.011 1.00 0.00 C ATOM 640 CE LYS A 42 0.019 -11.304 6.035 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.119 -12.635 5.381 1.00 0.00 N ATOM 0 H LYS A 42 -3.537 -12.037 11.206 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.709 -12.960 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.622 -12.563 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.457 -10.860 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.032 -11.042 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.234 -12.698 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.987 -11.829 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.516 -10.198 7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.020 -10.497 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.973 -11.216 6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.713 -12.817 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.191 -13.374 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.976 -12.645 4.792 1.00 0.00 H new ATOM 655 N ALA A 43 0.456 -10.862 11.445 1.00 0.00 N ATOM 656 CA ALA A 43 1.086 -9.694 12.120 1.00 0.00 C ATOM 657 C ALA A 43 2.526 -9.498 11.643 1.00 0.00 C ATOM 658 O ALA A 43 2.993 -10.163 10.739 1.00 0.00 O ATOM 659 CB ALA A 43 1.063 -10.041 13.609 1.00 0.00 C ATOM 0 H ALA A 43 1.104 -11.534 11.033 1.00 0.00 H new ATOM 0 HA ALA A 43 0.557 -8.766 11.901 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.512 -9.227 14.179 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.032 -10.186 13.933 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.629 -10.957 13.778 1.00 0.00 H new ATOM 665 N GLN A 44 3.230 -8.586 12.254 1.00 0.00 N ATOM 666 CA GLN A 44 4.642 -8.328 11.858 1.00 0.00 C ATOM 667 C GLN A 44 5.402 -7.724 13.042 1.00 0.00 C ATOM 668 O GLN A 44 4.810 -7.231 13.982 1.00 0.00 O ATOM 669 CB GLN A 44 4.552 -7.327 10.705 1.00 0.00 C ATOM 670 CG GLN A 44 5.956 -7.011 10.182 1.00 0.00 C ATOM 671 CD GLN A 44 5.906 -5.739 9.333 1.00 0.00 C ATOM 672 OE1 GLN A 44 5.612 -4.672 9.832 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.186 -5.808 8.059 1.00 0.00 N ATOM 0 H GLN A 44 2.884 -8.004 13.017 1.00 0.00 H new ATOM 0 HA GLN A 44 5.171 -9.234 11.563 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.939 -7.737 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.065 -6.412 11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.646 -6.878 11.016 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.331 -7.844 9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.433 -6.704 7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.158 -4.966 7.484 1.00 0.00 H new ATOM 682 N SER A 45 6.705 -7.759 13.011 1.00 0.00 N ATOM 683 CA SER A 45 7.486 -7.184 14.142 1.00 0.00 C ATOM 684 C SER A 45 8.062 -5.820 13.750 1.00 0.00 C ATOM 685 O SER A 45 8.702 -5.677 12.727 1.00 0.00 O ATOM 686 CB SER A 45 8.609 -8.188 14.399 1.00 0.00 C ATOM 687 OG SER A 45 8.104 -9.508 14.263 1.00 0.00 O ATOM 0 H SER A 45 7.261 -8.159 12.255 1.00 0.00 H new ATOM 0 HA SER A 45 6.872 -7.024 15.028 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.425 -8.025 13.695 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.018 -8.045 15.399 1.00 0.00 H new ATOM 0 HG SER A 45 8.824 -10.152 14.426 1.00 0.00 H new ATOM 693 N LEU A 46 7.841 -4.820 14.557 1.00 0.00 N ATOM 694 CA LEU A 46 8.376 -3.466 14.232 1.00 0.00 C ATOM 695 C LEU A 46 9.841 -3.360 14.664 1.00 0.00 C ATOM 696 O LEU A 46 10.466 -2.328 14.525 1.00 0.00 O ATOM 697 CB LEU A 46 7.506 -2.497 15.032 1.00 0.00 C ATOM 698 CG LEU A 46 7.832 -1.059 14.623 1.00 0.00 C ATOM 699 CD1 LEU A 46 7.305 -0.799 13.211 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.168 -0.088 15.602 1.00 0.00 C ATOM 0 H LEU A 46 7.313 -4.881 15.428 1.00 0.00 H new ATOM 0 HA LEU A 46 8.346 -3.253 13.164 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.451 -2.707 14.853 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.681 -2.631 16.099 1.00 0.00 H new ATOM 0 HG LEU A 46 8.912 -0.912 14.641 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.537 0.225 12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.777 -1.491 12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.225 -0.946 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.400 0.937 15.312 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.088 -0.235 15.584 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.543 -0.273 16.609 1.00 0.00 H new ATOM 712 N THR A 47 10.393 -4.420 15.188 1.00 0.00 N ATOM 713 CA THR A 47 11.817 -4.380 15.630 1.00 0.00 C ATOM 714 C THR A 47 12.725 -4.957 14.541 1.00 0.00 C ATOM 715 O THR A 47 13.842 -4.516 14.352 1.00 0.00 O ATOM 716 CB THR A 47 11.866 -5.251 16.886 1.00 0.00 C ATOM 717 OG1 THR A 47 10.970 -4.729 17.857 1.00 0.00 O ATOM 718 CG2 THR A 47 13.287 -5.256 17.451 1.00 0.00 C ATOM 0 H THR A 47 9.920 -5.312 15.329 1.00 0.00 H new ATOM 0 HA THR A 47 12.161 -3.364 15.825 1.00 0.00 H new ATOM 0 HB THR A 47 11.575 -6.271 16.633 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.999 -5.287 18.662 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.320 -5.877 18.346 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.974 -5.657 16.705 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.581 -4.238 17.705 1.00 0.00 H new ATOM 726 N THR A 48 12.256 -5.941 13.823 1.00 0.00 N ATOM 727 CA THR A 48 13.092 -6.544 12.746 1.00 0.00 C ATOM 728 C THR A 48 12.442 -6.311 11.380 1.00 0.00 C ATOM 729 O THR A 48 13.072 -6.450 10.350 1.00 0.00 O ATOM 730 CB THR A 48 13.141 -8.037 13.071 1.00 0.00 C ATOM 731 OG1 THR A 48 11.886 -8.628 12.760 1.00 0.00 O ATOM 732 CG2 THR A 48 13.442 -8.229 14.558 1.00 0.00 C ATOM 0 H THR A 48 11.330 -6.353 13.936 1.00 0.00 H new ATOM 0 HA THR A 48 14.089 -6.105 12.701 1.00 0.00 H new ATOM 0 HB THR A 48 13.925 -8.512 12.481 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.915 -9.586 12.966 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.476 -9.294 14.788 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.404 -7.775 14.796 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.660 -7.755 15.152 1.00 0.00 H new ATOM 740 N GLY A 49 11.186 -5.958 11.364 1.00 0.00 N ATOM 741 CA GLY A 49 10.497 -5.716 10.065 1.00 0.00 C ATOM 742 C GLY A 49 10.071 -7.052 9.455 1.00 0.00 C ATOM 743 O GLY A 49 9.925 -7.180 8.257 1.00 0.00 O ATOM 0 H GLY A 49 10.607 -5.827 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.625 -5.079 10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.162 -5.188 9.382 1.00 0.00 H new ATOM 747 N GLN A 50 9.872 -8.051 10.272 1.00 0.00 N ATOM 748 CA GLN A 50 9.456 -9.379 9.738 1.00 0.00 C ATOM 749 C GLN A 50 7.937 -9.540 9.843 1.00 0.00 C ATOM 750 O GLN A 50 7.337 -9.220 10.851 1.00 0.00 O ATOM 751 CB GLN A 50 10.168 -10.402 10.623 1.00 0.00 C ATOM 752 CG GLN A 50 10.062 -11.789 9.987 1.00 0.00 C ATOM 753 CD GLN A 50 10.872 -12.791 10.812 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.527 -12.421 11.767 1.00 0.00 O ATOM 755 NE2 GLN A 50 10.857 -14.054 10.482 1.00 0.00 N ATOM 0 H GLN A 50 9.979 -8.005 11.285 1.00 0.00 H new ATOM 0 HA GLN A 50 9.715 -9.501 8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.215 -10.126 10.746 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.722 -10.411 11.617 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.018 -12.100 9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.433 -11.761 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.308 -14.365 9.681 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.395 -14.729 11.025 1.00 0.00 H new ATOM 764 N GLU A 51 7.311 -10.034 8.811 1.00 0.00 N ATOM 765 CA GLU A 51 5.831 -10.218 8.850 1.00 0.00 C ATOM 766 C GLU A 51 5.483 -11.696 8.650 1.00 0.00 C ATOM 767 O GLU A 51 6.099 -12.386 7.863 1.00 0.00 O ATOM 768 CB GLU A 51 5.298 -9.378 7.690 1.00 0.00 C ATOM 769 CG GLU A 51 3.769 -9.434 7.679 1.00 0.00 C ATOM 770 CD GLU A 51 3.243 -8.744 6.419 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.058 -8.329 5.611 1.00 0.00 O ATOM 772 OE2 GLU A 51 2.034 -8.642 6.283 1.00 0.00 O ATOM 0 H GLU A 51 7.760 -10.319 7.941 1.00 0.00 H new ATOM 0 HA GLU A 51 5.398 -9.914 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.634 -8.346 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.693 -9.751 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.432 -10.470 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.370 -8.945 8.568 1.00 0.00 H new ATOM 779 N GLY A 52 4.502 -12.189 9.355 1.00 0.00 N ATOM 780 CA GLY A 52 4.125 -13.621 9.198 1.00 0.00 C ATOM 781 C GLY A 52 2.776 -13.878 9.875 1.00 0.00 C ATOM 782 O GLY A 52 1.856 -13.092 9.771 1.00 0.00 O ATOM 0 H GLY A 52 3.947 -11.664 10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.066 -13.877 8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.891 -14.259 9.639 1.00 0.00 H new ATOM 786 N PHE A 53 2.658 -14.975 10.572 1.00 0.00 N ATOM 787 CA PHE A 53 1.373 -15.288 11.260 1.00 0.00 C ATOM 788 C PHE A 53 1.627 -15.551 12.746 1.00 0.00 C ATOM 789 O PHE A 53 2.585 -16.201 13.115 1.00 0.00 O ATOM 790 CB PHE A 53 0.851 -16.550 10.575 1.00 0.00 C ATOM 791 CG PHE A 53 0.542 -16.250 9.128 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.607 -15.521 8.793 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.403 -16.700 8.120 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.893 -15.244 7.451 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.116 -16.423 6.778 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.031 -15.695 6.444 1.00 0.00 C ATOM 0 H PHE A 53 3.396 -15.668 10.695 1.00 0.00 H new ATOM 0 HA PHE A 53 0.658 -14.467 11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.593 -17.345 10.641 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.045 -16.907 11.082 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.272 -15.173 9.570 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.289 -17.261 8.378 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.779 -14.682 7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.780 -16.771 6.001 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.252 -15.481 5.409 1.00 0.00 H new ATOM 806 N ILE A 54 0.780 -15.048 13.601 1.00 0.00 N ATOM 807 CA ILE A 54 0.980 -15.271 15.061 1.00 0.00 C ATOM 808 C ILE A 54 -0.300 -15.820 15.693 1.00 0.00 C ATOM 809 O ILE A 54 -1.392 -15.509 15.260 1.00 0.00 O ATOM 810 CB ILE A 54 1.307 -13.890 15.629 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.086 -12.977 15.493 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.482 -13.286 14.856 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.201 -11.819 16.486 1.00 0.00 C ATOM 0 H ILE A 54 -0.040 -14.494 13.353 1.00 0.00 H new ATOM 0 HA ILE A 54 1.769 -15.995 15.264 1.00 0.00 H new ATOM 0 HB ILE A 54 1.573 -13.986 16.682 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.018 -12.592 14.476 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.827 -13.542 15.681 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.716 -12.301 15.260 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.353 -13.934 14.953 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.215 -13.192 13.803 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.669 -11.169 16.389 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.248 -12.213 17.501 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.106 -11.248 16.276 1.00 0.00 H new ATOM 825 N PRO A 55 -0.118 -16.617 16.709 1.00 0.00 N ATOM 826 CA PRO A 55 -1.304 -17.192 17.392 1.00 0.00 C ATOM 827 C PRO A 55 -1.894 -16.162 18.357 1.00 0.00 C ATOM 828 O PRO A 55 -1.192 -15.341 18.912 1.00 0.00 O ATOM 829 CB PRO A 55 -0.754 -18.398 18.144 1.00 0.00 C ATOM 830 CG PRO A 55 0.691 -18.091 18.351 1.00 0.00 C ATOM 831 CD PRO A 55 1.126 -17.228 17.196 1.00 0.00 C ATOM 0 HA PRO A 55 -2.104 -17.470 16.706 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.268 -18.540 19.094 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.885 -19.316 17.570 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.844 -17.574 19.298 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.279 -19.008 18.390 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.843 -16.471 17.513 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.610 -17.819 16.418 1.00 0.00 H new ATOM 839 N PHE A 56 -3.182 -16.190 18.550 1.00 0.00 N ATOM 840 CA PHE A 56 -3.821 -15.204 19.467 1.00 0.00 C ATOM 841 C PHE A 56 -3.444 -15.485 20.925 1.00 0.00 C ATOM 842 O PHE A 56 -3.812 -14.749 21.819 1.00 0.00 O ATOM 843 CB PHE A 56 -5.324 -15.391 19.259 1.00 0.00 C ATOM 844 CG PHE A 56 -5.760 -16.693 19.890 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.669 -17.888 19.166 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.257 -16.704 21.199 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.074 -19.093 19.751 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.662 -17.910 21.784 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.571 -19.104 21.059 1.00 0.00 C ATOM 0 H PHE A 56 -3.822 -16.853 18.112 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.496 -14.185 19.256 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.870 -14.558 19.703 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.557 -15.394 18.194 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.286 -17.880 18.156 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.328 -15.782 21.757 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.003 -20.015 19.193 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.044 -17.919 22.794 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.885 -20.034 21.509 1.00 0.00 H new ATOM 859 N ASN A 57 -2.730 -16.548 21.184 1.00 0.00 N ATOM 860 CA ASN A 57 -2.359 -16.864 22.595 1.00 0.00 C ATOM 861 C ASN A 57 -0.936 -16.388 22.920 1.00 0.00 C ATOM 862 O ASN A 57 -0.617 -16.114 24.060 1.00 0.00 O ATOM 863 CB ASN A 57 -2.445 -18.387 22.691 1.00 0.00 C ATOM 864 CG ASN A 57 -2.373 -18.811 24.158 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.753 -18.064 25.039 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.899 -19.988 24.462 1.00 0.00 N ATOM 0 H ASN A 57 -2.389 -17.208 20.485 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.017 -16.362 23.304 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.376 -18.738 22.245 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.630 -18.844 22.129 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.848 -20.281 25.438 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.580 -20.616 23.724 1.00 0.00 H new ATOM 873 N PHE A 58 -0.078 -16.290 21.941 1.00 0.00 N ATOM 874 CA PHE A 58 1.318 -15.836 22.229 1.00 0.00 C ATOM 875 C PHE A 58 1.387 -14.308 22.255 1.00 0.00 C ATOM 876 O PHE A 58 2.422 -13.730 22.524 1.00 0.00 O ATOM 877 CB PHE A 58 2.176 -16.388 21.090 1.00 0.00 C ATOM 878 CG PHE A 58 2.347 -17.880 21.257 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.227 -18.722 21.263 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.629 -18.422 21.409 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.391 -20.104 21.420 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.792 -19.803 21.565 1.00 0.00 C ATOM 883 CZ PHE A 58 2.673 -20.643 21.571 1.00 0.00 C ATOM 0 H PHE A 58 -0.277 -16.502 20.963 1.00 0.00 H new ATOM 0 HA PHE A 58 1.663 -16.189 23.201 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.706 -16.171 20.130 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.150 -15.899 21.086 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.237 -18.305 21.147 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.493 -17.774 21.406 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.528 -20.753 21.424 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.781 -20.220 21.681 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.799 -21.709 21.692 1.00 0.00 H new ATOM 893 N VAL A 59 0.298 -13.647 21.980 1.00 0.00 N ATOM 894 CA VAL A 59 0.311 -12.157 21.992 1.00 0.00 C ATOM 895 C VAL A 59 -0.872 -11.627 22.807 1.00 0.00 C ATOM 896 O VAL A 59 -1.961 -12.166 22.763 1.00 0.00 O ATOM 897 CB VAL A 59 0.180 -11.746 20.525 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.360 -12.308 19.730 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.128 -12.298 19.955 1.00 0.00 C ATOM 0 H VAL A 59 -0.599 -14.073 21.748 1.00 0.00 H new ATOM 0 HA VAL A 59 1.216 -11.755 22.446 1.00 0.00 H new ATOM 0 HB VAL A 59 0.178 -10.658 20.452 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.267 -12.015 18.684 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.292 -11.914 20.135 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.363 -13.396 19.803 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.221 -12.005 18.909 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.127 -13.386 20.028 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.969 -11.897 20.521 1.00 0.00 H new ATOM 909 N ALA A 60 -0.670 -10.574 23.552 1.00 0.00 N ATOM 910 CA ALA A 60 -1.784 -10.013 24.368 1.00 0.00 C ATOM 911 C ALA A 60 -2.026 -8.547 24.003 1.00 0.00 C ATOM 912 O ALA A 60 -1.156 -7.875 23.484 1.00 0.00 O ATOM 913 CB ALA A 60 -1.313 -10.135 25.817 1.00 0.00 C ATOM 0 H ALA A 60 0.218 -10.078 23.631 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.724 -10.539 24.198 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.081 -9.742 26.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.130 -11.183 26.053 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.392 -9.567 25.949 1.00 0.00 H new