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 -170:sc= -3.19! USER MOD Set 1.2: A 50 GLN : amide:sc= -0.037 K(o=-3.2,f=-4.9!) USER MOD Set 2.1: A 18 SER OG : rot 122:sc= -2.27! USER MOD Set 2.2: A 19 HIS : no HD1:sc= -3.46! X(o=-5.7!,f=-5.9) USER MOD Single : A 13 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-2.2!) USER MOD Single : A 14 SER OG : rot 180:sc=-0.000248 USER MOD Single : A 15 TYR OH : rot 25:sc= 0.764 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.0285 (180deg=-0.503) USER MOD Single : A 30 GLN : amide:sc= -0.0042 K(o=-0.0042,f=-1.6!) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.51 F(o=-2.6!,f=-1.5) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 45 SER OG : rot 180:sc= -1.76! USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 57 ASN : amide:sc= -2.17 X(o=-2.2,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -1.214 -3.115 18.565 1.00 0.00 N ATOM 98 CA LEU A 8 0.129 -3.623 18.965 1.00 0.00 C ATOM 99 C LEU A 8 -0.014 -4.663 20.079 1.00 0.00 C ATOM 100 O LEU A 8 -0.921 -4.599 20.886 1.00 0.00 O ATOM 101 CB LEU A 8 0.884 -2.395 19.471 1.00 0.00 C ATOM 102 CG LEU A 8 2.224 -2.831 20.066 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.199 -3.167 18.936 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.799 -1.696 20.916 1.00 0.00 C ATOM 0 HA LEU A 8 0.651 -4.108 18.140 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.048 -1.693 18.653 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.291 -1.875 20.224 1.00 0.00 H new ATOM 0 HG LEU A 8 2.074 -3.712 20.690 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.154 -3.478 19.360 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.790 -3.976 18.331 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.349 -2.287 18.311 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.754 -2.007 21.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.948 -0.814 20.293 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.105 -1.457 21.722 1.00 0.00 H new ATOM 116 N VAL A 9 0.870 -5.622 20.132 1.00 0.00 N ATOM 117 CA VAL A 9 0.773 -6.661 21.197 1.00 0.00 C ATOM 118 C VAL A 9 2.170 -7.113 21.631 1.00 0.00 C ATOM 119 O VAL A 9 3.158 -6.818 20.990 1.00 0.00 O ATOM 120 CB VAL A 9 0.015 -7.822 20.550 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.365 -7.342 20.101 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.797 -8.331 19.338 1.00 0.00 C ATOM 0 H VAL A 9 1.652 -5.731 19.487 1.00 0.00 H new ATOM 0 HA VAL A 9 0.269 -6.288 22.089 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.098 -8.629 21.274 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.906 -8.169 19.640 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.923 -6.980 20.965 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.252 -6.534 19.378 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.257 -9.158 18.877 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.911 -7.524 18.614 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.781 -8.674 19.658 1.00 0.00 H new ATOM 132 N ILE A 10 2.254 -7.836 22.715 1.00 0.00 N ATOM 133 CA ILE A 10 3.582 -8.319 23.193 1.00 0.00 C ATOM 134 C ILE A 10 3.645 -9.844 23.079 1.00 0.00 C ATOM 135 O ILE A 10 2.643 -10.522 23.179 1.00 0.00 O ATOM 136 CB ILE A 10 3.661 -7.883 24.655 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.563 -6.358 24.742 1.00 0.00 C ATOM 138 CG2 ILE A 10 4.991 -8.343 25.254 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.203 -5.951 26.172 1.00 0.00 C ATOM 0 H ILE A 10 1.459 -8.114 23.291 1.00 0.00 H new ATOM 0 HA ILE A 10 4.410 -7.917 22.609 1.00 0.00 H new ATOM 0 HB ILE A 10 2.837 -8.331 25.211 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.511 -5.905 24.451 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.808 -5.991 24.047 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.047 -8.032 26.297 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.060 -9.429 25.195 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.815 -7.896 24.697 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.133 -4.865 26.235 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.245 -6.393 26.446 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.974 -6.305 26.856 1.00 0.00 H new ATOM 151 N ALA A 11 4.810 -10.389 22.863 1.00 0.00 N ATOM 152 CA ALA A 11 4.920 -11.870 22.737 1.00 0.00 C ATOM 153 C ALA A 11 4.934 -12.530 24.117 1.00 0.00 C ATOM 154 O ALA A 11 5.854 -12.357 24.891 1.00 0.00 O ATOM 155 CB ALA A 11 6.245 -12.105 22.015 1.00 0.00 C ATOM 0 H ALA A 11 5.687 -9.876 22.769 1.00 0.00 H new ATOM 0 HA ALA A 11 4.076 -12.299 22.197 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.402 -13.175 21.882 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.219 -11.618 21.040 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.061 -11.689 22.607 1.00 0.00 H new ATOM 161 N LEU A 12 3.926 -13.297 24.427 1.00 0.00 N ATOM 162 CA LEU A 12 3.889 -13.981 25.750 1.00 0.00 C ATOM 163 C LEU A 12 4.796 -15.212 25.707 1.00 0.00 C ATOM 164 O LEU A 12 5.219 -15.728 26.724 1.00 0.00 O ATOM 165 CB LEU A 12 2.428 -14.392 25.943 1.00 0.00 C ATOM 166 CG LEU A 12 2.235 -14.957 27.351 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.187 -13.808 28.360 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.922 -15.741 27.409 1.00 0.00 C ATOM 0 H LEU A 12 3.126 -13.480 23.821 1.00 0.00 H new ATOM 0 HA LEU A 12 4.237 -13.347 26.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.775 -13.532 25.793 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.148 -15.138 25.199 1.00 0.00 H new ATOM 0 HG LEU A 12 3.066 -15.619 27.594 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.049 -14.211 29.364 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.121 -13.248 28.319 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.356 -13.146 28.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.783 -16.144 28.412 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.091 -15.078 27.166 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.955 -16.560 26.690 1.00 0.00 H new ATOM 180 N HIS A 13 5.098 -15.680 24.527 1.00 0.00 N ATOM 181 CA HIS A 13 5.979 -16.873 24.386 1.00 0.00 C ATOM 182 C HIS A 13 6.567 -16.910 22.974 1.00 0.00 C ATOM 183 O HIS A 13 5.902 -16.584 22.012 1.00 0.00 O ATOM 184 CB HIS A 13 5.057 -18.069 24.615 1.00 0.00 C ATOM 185 CG HIS A 13 4.912 -18.316 26.091 1.00 0.00 C ATOM 186 ND1 HIS A 13 5.986 -18.680 26.888 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.827 -18.254 26.929 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.527 -18.821 28.145 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.218 -18.573 28.226 1.00 0.00 N ATOM 0 H HIS A 13 4.769 -15.283 23.647 1.00 0.00 H new ATOM 0 HA HIS A 13 6.815 -16.866 25.085 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.080 -17.879 24.170 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.464 -18.954 24.126 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.822 -17.997 26.628 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.143 -19.101 28.987 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.631 -18.609 29.059 1.00 0.00 H new ATOM 197 N SER A 14 7.801 -17.305 22.830 1.00 0.00 N ATOM 198 CA SER A 14 8.406 -17.357 21.468 1.00 0.00 C ATOM 199 C SER A 14 7.620 -18.324 20.580 1.00 0.00 C ATOM 200 O SER A 14 7.207 -19.380 21.017 1.00 0.00 O ATOM 201 CB SER A 14 9.831 -17.866 21.688 1.00 0.00 C ATOM 202 OG SER A 14 9.816 -19.282 21.795 1.00 0.00 O ATOM 0 H SER A 14 8.415 -17.593 23.592 1.00 0.00 H new ATOM 0 HA SER A 14 8.393 -16.387 20.971 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.470 -17.560 20.860 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.250 -17.427 22.593 1.00 0.00 H new ATOM 0 HG SER A 14 10.729 -19.609 21.934 1.00 0.00 H new ATOM 208 N TYR A 15 7.410 -17.979 19.338 1.00 0.00 N ATOM 209 CA TYR A 15 6.652 -18.896 18.437 1.00 0.00 C ATOM 210 C TYR A 15 7.617 -19.688 17.552 1.00 0.00 C ATOM 211 O TYR A 15 8.766 -19.326 17.390 1.00 0.00 O ATOM 212 CB TYR A 15 5.768 -17.984 17.586 1.00 0.00 C ATOM 213 CG TYR A 15 4.956 -18.825 16.630 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.754 -19.401 17.057 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.404 -19.031 15.319 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.999 -20.183 16.175 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.648 -19.813 14.437 1.00 0.00 C ATOM 218 CZ TYR A 15 3.447 -20.390 14.864 1.00 0.00 C ATOM 219 OH TYR A 15 2.703 -21.159 13.995 1.00 0.00 O ATOM 0 H TYR A 15 7.727 -17.109 18.910 1.00 0.00 H new ATOM 0 HA TYR A 15 6.063 -19.624 18.995 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.107 -17.399 18.226 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.384 -17.275 17.032 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.409 -19.242 18.068 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.332 -18.587 14.989 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.071 -20.627 16.505 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.992 -19.971 13.426 1.00 0.00 H new ATOM 0 HH TYR A 15 1.763 -21.151 14.273 1.00 0.00 H new ATOM 229 N GLU A 16 7.159 -20.767 16.980 1.00 0.00 N ATOM 230 CA GLU A 16 8.049 -21.584 16.106 1.00 0.00 C ATOM 231 C GLU A 16 7.505 -21.607 14.675 1.00 0.00 C ATOM 232 O GLU A 16 6.345 -21.896 14.457 1.00 0.00 O ATOM 233 CB GLU A 16 8.022 -22.986 16.713 1.00 0.00 C ATOM 234 CG GLU A 16 8.199 -22.889 18.229 1.00 0.00 C ATOM 235 CD GLU A 16 6.836 -23.018 18.912 1.00 0.00 C ATOM 236 OE1 GLU A 16 6.107 -22.039 18.925 1.00 0.00 O ATOM 237 OE2 GLU A 16 6.544 -24.092 19.412 1.00 0.00 O ATOM 0 H GLU A 16 6.207 -21.119 17.080 1.00 0.00 H new ATOM 0 HA GLU A 16 9.061 -21.183 16.055 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.078 -23.478 16.477 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.816 -23.596 16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.868 -23.675 18.579 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.660 -21.937 18.492 1.00 0.00 H new ATOM 244 N PRO A 17 8.368 -21.297 13.747 1.00 0.00 N ATOM 245 CA PRO A 17 7.928 -21.293 12.328 1.00 0.00 C ATOM 246 C PRO A 17 7.977 -22.709 11.751 1.00 0.00 C ATOM 247 O PRO A 17 8.936 -23.097 11.112 1.00 0.00 O ATOM 248 CB PRO A 17 8.938 -20.391 11.629 1.00 0.00 C ATOM 249 CG PRO A 17 10.162 -20.454 12.481 1.00 0.00 C ATOM 250 CD PRO A 17 9.697 -20.686 13.896 1.00 0.00 C ATOM 0 HA PRO A 17 6.902 -20.945 12.205 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.143 -20.738 10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.566 -19.370 11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.820 -21.259 12.153 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.732 -19.527 12.408 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.379 -21.343 14.436 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.645 -19.752 14.456 1.00 0.00 H new ATOM 258 N SER A 18 6.952 -23.485 11.970 1.00 0.00 N ATOM 259 CA SER A 18 6.942 -24.875 11.432 1.00 0.00 C ATOM 260 C SER A 18 6.562 -24.863 9.949 1.00 0.00 C ATOM 261 O SER A 18 6.560 -25.885 9.291 1.00 0.00 O ATOM 262 CB SER A 18 5.881 -25.610 12.253 1.00 0.00 C ATOM 263 OG SER A 18 4.589 -25.176 11.854 1.00 0.00 O ATOM 0 H SER A 18 6.121 -23.217 12.498 1.00 0.00 H new ATOM 0 HA SER A 18 7.918 -25.355 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.975 -26.686 12.109 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.029 -25.416 13.315 1.00 0.00 H new ATOM 0 HG SER A 18 4.068 -25.945 11.542 1.00 0.00 H new ATOM 269 N HIS A 19 6.240 -23.715 9.418 1.00 0.00 N ATOM 270 CA HIS A 19 5.860 -23.640 7.979 1.00 0.00 C ATOM 271 C HIS A 19 6.424 -22.363 7.347 1.00 0.00 C ATOM 272 O HIS A 19 6.899 -21.479 8.032 1.00 0.00 O ATOM 273 CB HIS A 19 4.332 -23.612 7.973 1.00 0.00 C ATOM 274 CG HIS A 19 3.806 -24.828 8.685 1.00 0.00 C ATOM 275 ND1 HIS A 19 4.065 -26.114 8.238 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.036 -24.971 9.812 1.00 0.00 C ATOM 277 CE1 HIS A 19 3.461 -26.968 9.086 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.819 -26.323 10.063 1.00 0.00 N ATOM 0 H HIS A 19 6.224 -22.826 9.918 1.00 0.00 H new ATOM 0 HA HIS A 19 6.254 -24.478 7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.972 -22.707 8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.962 -23.589 6.948 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.656 -24.158 10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.492 -28.043 8.988 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.284 -26.733 10.829 1.00 0.00 H new ATOM 286 N ASP A 20 6.377 -22.261 6.048 1.00 0.00 N ATOM 287 CA ASP A 20 6.910 -21.041 5.376 1.00 0.00 C ATOM 288 C ASP A 20 5.869 -19.920 5.409 1.00 0.00 C ATOM 289 O ASP A 20 4.747 -20.087 4.974 1.00 0.00 O ATOM 290 CB ASP A 20 7.188 -21.473 3.935 1.00 0.00 C ATOM 291 CG ASP A 20 7.914 -20.346 3.197 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.294 -19.387 3.849 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.078 -20.462 1.994 1.00 0.00 O ATOM 0 H ASP A 20 5.993 -22.969 5.422 1.00 0.00 H new ATOM 0 HA ASP A 20 7.804 -20.657 5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.795 -22.378 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.253 -21.711 3.428 1.00 0.00 H new ATOM 298 N GLY A 21 6.232 -18.777 5.923 1.00 0.00 N ATOM 299 CA GLY A 21 5.263 -17.646 5.985 1.00 0.00 C ATOM 300 C GLY A 21 4.791 -17.457 7.427 1.00 0.00 C ATOM 301 O GLY A 21 3.778 -16.836 7.683 1.00 0.00 O ATOM 0 H GLY A 21 7.157 -18.577 6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.732 -16.731 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.411 -17.847 5.336 1.00 0.00 H new ATOM 305 N ASP A 22 5.518 -17.987 8.373 1.00 0.00 N ATOM 306 CA ASP A 22 5.111 -17.837 9.800 1.00 0.00 C ATOM 307 C ASP A 22 6.148 -17.004 10.559 1.00 0.00 C ATOM 308 O ASP A 22 7.272 -16.851 10.125 1.00 0.00 O ATOM 309 CB ASP A 22 5.058 -19.262 10.348 1.00 0.00 C ATOM 310 CG ASP A 22 3.869 -20.001 9.732 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.308 -19.489 8.776 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.537 -21.066 10.226 1.00 0.00 O ATOM 0 H ASP A 22 6.376 -18.517 8.220 1.00 0.00 H new ATOM 0 HA ASP A 22 4.154 -17.326 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.985 -19.787 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.965 -19.242 11.434 1.00 0.00 H new ATOM 317 N LEU A 23 5.777 -16.464 11.687 1.00 0.00 N ATOM 318 CA LEU A 23 6.741 -15.639 12.471 1.00 0.00 C ATOM 319 C LEU A 23 7.036 -16.305 13.820 1.00 0.00 C ATOM 320 O LEU A 23 6.148 -16.533 14.617 1.00 0.00 O ATOM 321 CB LEU A 23 6.033 -14.299 12.675 1.00 0.00 C ATOM 322 CG LEU A 23 7.040 -13.256 13.161 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.216 -13.191 12.186 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.361 -11.887 13.233 1.00 0.00 C ATOM 0 H LEU A 23 4.849 -16.558 12.100 1.00 0.00 H new ATOM 0 HA LEU A 23 7.698 -15.523 11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.577 -13.971 11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.228 -14.408 13.402 1.00 0.00 H new ATOM 0 HG LEU A 23 7.403 -13.534 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.934 -12.448 12.532 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.700 -14.166 12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.853 -12.912 11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.078 -11.143 13.579 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.998 -11.608 12.244 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.522 -11.933 13.927 1.00 0.00 H new ATOM 336 N GLY A 24 8.277 -16.618 14.078 1.00 0.00 N ATOM 337 CA GLY A 24 8.629 -17.270 15.373 1.00 0.00 C ATOM 338 C GLY A 24 9.230 -16.231 16.322 1.00 0.00 C ATOM 339 O GLY A 24 10.321 -16.399 16.830 1.00 0.00 O ATOM 0 H GLY A 24 9.062 -16.451 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.741 -17.716 15.821 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.341 -18.078 15.204 1.00 0.00 H new ATOM 343 N PHE A 25 8.531 -15.156 16.558 1.00 0.00 N ATOM 344 CA PHE A 25 9.062 -14.099 17.466 1.00 0.00 C ATOM 345 C PHE A 25 9.538 -14.704 18.789 1.00 0.00 C ATOM 346 O PHE A 25 9.332 -15.871 19.062 1.00 0.00 O ATOM 347 CB PHE A 25 7.885 -13.146 17.696 1.00 0.00 C ATOM 348 CG PHE A 25 6.688 -13.908 18.224 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.767 -14.477 17.334 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.493 -14.035 19.604 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.654 -15.172 17.825 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.380 -14.730 20.094 1.00 0.00 C ATOM 353 CZ PHE A 25 4.461 -15.298 19.204 1.00 0.00 C ATOM 0 H PHE A 25 7.612 -14.963 16.160 1.00 0.00 H new ATOM 0 HA PHE A 25 9.924 -13.588 17.036 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.171 -12.368 18.404 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.624 -12.647 16.763 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.915 -14.380 16.269 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.201 -13.597 20.292 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.945 -15.610 17.138 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.231 -14.828 21.159 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.603 -15.834 19.583 1.00 0.00 H new ATOM 363 N GLU A 26 10.178 -13.916 19.611 1.00 0.00 N ATOM 364 CA GLU A 26 10.675 -14.438 20.915 1.00 0.00 C ATOM 365 C GLU A 26 9.728 -14.035 22.050 1.00 0.00 C ATOM 366 O GLU A 26 8.748 -13.345 21.842 1.00 0.00 O ATOM 367 CB GLU A 26 12.046 -13.785 21.104 1.00 0.00 C ATOM 368 CG GLU A 26 12.948 -14.145 19.920 1.00 0.00 C ATOM 369 CD GLU A 26 14.327 -13.514 20.120 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.436 -12.626 20.951 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.251 -13.927 19.439 1.00 0.00 O ATOM 0 H GLU A 26 10.378 -12.932 19.434 1.00 0.00 H new ATOM 0 HA GLU A 26 10.733 -15.526 20.926 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.939 -12.703 21.178 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.498 -14.125 22.036 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.040 -15.228 19.835 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.505 -13.789 18.990 1.00 0.00 H new ATOM 378 N LYS A 27 10.020 -14.453 23.251 1.00 0.00 N ATOM 379 CA LYS A 27 9.142 -14.094 24.400 1.00 0.00 C ATOM 380 C LYS A 27 9.301 -12.612 24.745 1.00 0.00 C ATOM 381 O LYS A 27 10.387 -12.142 25.023 1.00 0.00 O ATOM 382 CB LYS A 27 9.630 -14.969 25.555 1.00 0.00 C ATOM 383 CG LYS A 27 8.733 -14.751 26.775 1.00 0.00 C ATOM 384 CD LYS A 27 9.068 -15.792 27.843 1.00 0.00 C ATOM 385 CE LYS A 27 8.142 -15.603 29.047 1.00 0.00 C ATOM 386 NZ LYS A 27 8.647 -14.376 29.724 1.00 0.00 N ATOM 0 H LYS A 27 10.829 -15.028 23.486 1.00 0.00 H new ATOM 0 HA LYS A 27 8.087 -14.256 24.181 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.614 -16.019 25.262 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.663 -14.722 25.801 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.878 -13.746 27.172 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.684 -14.832 26.489 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.953 -16.797 27.436 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.109 -15.691 28.151 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.105 -15.484 28.734 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.177 -16.465 29.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.413 -14.417 30.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.679 -14.316 29.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.202 -13.537 29.299 1.00 0.00 H new ATOM 400 N GLY A 28 8.227 -11.874 24.731 1.00 0.00 N ATOM 401 CA GLY A 28 8.312 -10.425 25.059 1.00 0.00 C ATOM 402 C GLY A 28 8.523 -9.622 23.774 1.00 0.00 C ATOM 403 O GLY A 28 8.443 -8.410 23.771 1.00 0.00 O ATOM 0 H GLY A 28 7.292 -12.213 24.506 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.399 -10.100 25.558 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.134 -10.246 25.752 1.00 0.00 H new ATOM 407 N GLU A 29 8.794 -10.285 22.682 1.00 0.00 N ATOM 408 CA GLU A 29 9.011 -9.547 21.405 1.00 0.00 C ATOM 409 C GLU A 29 7.745 -8.776 21.020 1.00 0.00 C ATOM 410 O GLU A 29 6.653 -9.308 21.038 1.00 0.00 O ATOM 411 CB GLU A 29 9.319 -10.626 20.367 1.00 0.00 C ATOM 412 CG GLU A 29 10.005 -9.986 19.157 1.00 0.00 C ATOM 413 CD GLU A 29 9.993 -10.968 17.985 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.712 -11.951 18.052 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.265 -10.721 17.038 1.00 0.00 O ATOM 0 H GLU A 29 8.874 -11.300 22.619 1.00 0.00 H new ATOM 0 HA GLU A 29 9.817 -8.817 21.482 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.963 -11.391 20.801 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.399 -11.122 20.057 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.491 -9.066 18.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.031 -9.715 19.408 1.00 0.00 H new ATOM 422 N GLN A 30 7.884 -7.525 20.677 1.00 0.00 N ATOM 423 CA GLN A 30 6.688 -6.721 20.293 1.00 0.00 C ATOM 424 C GLN A 30 6.290 -7.024 18.847 1.00 0.00 C ATOM 425 O GLN A 30 7.111 -7.009 17.951 1.00 0.00 O ATOM 426 CB GLN A 30 7.129 -5.263 20.432 1.00 0.00 C ATOM 427 CG GLN A 30 7.445 -4.964 21.899 1.00 0.00 C ATOM 428 CD GLN A 30 7.988 -3.540 22.022 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.471 -2.976 21.060 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.929 -2.929 23.174 1.00 0.00 N ATOM 0 H GLN A 30 8.772 -7.025 20.646 1.00 0.00 H new ATOM 0 HA GLN A 30 5.822 -6.946 20.915 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.008 -5.077 19.814 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.342 -4.598 20.075 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.547 -5.076 22.506 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.177 -5.678 22.278 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.524 -3.402 23.982 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.288 -1.979 23.266 1.00 0.00 H new ATOM 439 N LEU A 31 5.036 -7.299 18.610 1.00 0.00 N ATOM 440 CA LEU A 31 4.591 -7.603 17.220 1.00 0.00 C ATOM 441 C LEU A 31 3.417 -6.705 16.826 1.00 0.00 C ATOM 442 O LEU A 31 2.578 -6.369 17.638 1.00 0.00 O ATOM 443 CB LEU A 31 4.147 -9.064 17.253 1.00 0.00 C ATOM 444 CG LEU A 31 5.216 -9.912 17.943 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.739 -11.364 18.013 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.519 -9.841 17.143 1.00 0.00 C ATOM 0 H LEU A 31 4.302 -7.326 19.317 1.00 0.00 H new ATOM 0 HA LEU A 31 5.384 -7.430 16.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.199 -9.154 17.784 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.980 -9.426 16.239 1.00 0.00 H new ATOM 0 HG LEU A 31 5.389 -9.534 18.951 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.498 -11.973 18.504 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.810 -11.415 18.580 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.569 -11.740 17.004 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.281 -10.445 17.635 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.349 -10.221 16.136 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.856 -8.806 17.088 1.00 0.00 H new ATOM 458 N ARG A 32 3.346 -6.326 15.580 1.00 0.00 N ATOM 459 CA ARG A 32 2.220 -5.462 15.127 1.00 0.00 C ATOM 460 C ARG A 32 1.094 -6.338 14.572 1.00 0.00 C ATOM 461 O ARG A 32 1.335 -7.290 13.858 1.00 0.00 O ATOM 462 CB ARG A 32 2.812 -4.583 14.025 1.00 0.00 C ATOM 463 CG ARG A 32 1.692 -3.792 13.346 1.00 0.00 C ATOM 464 CD ARG A 32 1.136 -2.756 14.324 1.00 0.00 C ATOM 465 NE ARG A 32 0.452 -1.748 13.464 1.00 0.00 N ATOM 466 CZ ARG A 32 1.117 -1.133 12.524 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.007 -1.525 11.284 1.00 0.00 N ATOM 468 NH2 ARG A 32 1.892 -0.128 12.825 1.00 0.00 N ATOM 0 H ARG A 32 4.019 -6.577 14.856 1.00 0.00 H new ATOM 0 HA ARG A 32 1.798 -4.864 15.935 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.550 -3.900 14.447 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.331 -5.201 13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.072 -3.297 12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.899 -4.467 13.024 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.441 -3.211 15.029 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.933 -2.299 14.911 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.536 -1.539 13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.402 -2.312 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.526 -1.045 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.978 0.177 13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.412 0.353 12.091 1.00 0.00 H new ATOM 482 N ILE A 33 -0.132 -6.029 14.893 1.00 0.00 N ATOM 483 CA ILE A 33 -1.262 -6.856 14.380 1.00 0.00 C ATOM 484 C ILE A 33 -1.771 -6.293 13.051 1.00 0.00 C ATOM 485 O ILE A 33 -2.054 -5.117 12.930 1.00 0.00 O ATOM 486 CB ILE A 33 -2.346 -6.761 15.455 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.714 -6.948 16.836 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.391 -7.854 15.222 1.00 0.00 C ATOM 489 CD1 ILE A 33 -1.067 -8.332 16.919 1.00 0.00 C ATOM 0 H ILE A 33 -0.400 -5.243 15.486 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.965 -7.888 14.193 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.824 -5.783 15.403 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.967 -6.175 17.013 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.472 -6.842 17.612 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.164 -7.787 15.988 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.842 -7.722 14.238 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.912 -8.832 15.274 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.617 -8.465 17.903 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.826 -9.098 16.761 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.297 -8.420 16.153 1.00 0.00 H new ATOM 501 N LEU A 34 -1.889 -7.124 12.052 1.00 0.00 N ATOM 502 CA LEU A 34 -2.381 -6.639 10.731 1.00 0.00 C ATOM 503 C LEU A 34 -3.750 -7.250 10.424 1.00 0.00 C ATOM 504 O LEU A 34 -4.545 -6.688 9.697 1.00 0.00 O ATOM 505 CB LEU A 34 -1.340 -7.118 9.719 1.00 0.00 C ATOM 506 CG LEU A 34 0.054 -6.689 10.181 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.095 -7.153 9.158 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.106 -5.164 10.304 1.00 0.00 C ATOM 0 H LEU A 34 -1.666 -8.118 12.093 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.502 -5.556 10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.385 -8.203 9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.554 -6.700 8.735 1.00 0.00 H new ATOM 0 HG LEU A 34 0.269 -7.139 11.150 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.089 -6.848 9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.060 -8.239 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.879 -6.703 8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.099 -4.859 10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.109 -4.713 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.635 -4.832 11.031 1.00 0.00 H new ATOM 520 N GLU A 35 -4.032 -8.400 10.975 1.00 0.00 N ATOM 521 CA GLU A 35 -5.349 -9.048 10.717 1.00 0.00 C ATOM 522 C GLU A 35 -5.763 -9.899 11.921 1.00 0.00 C ATOM 523 O GLU A 35 -4.938 -10.332 12.700 1.00 0.00 O ATOM 524 CB GLU A 35 -5.124 -9.930 9.489 1.00 0.00 C ATOM 525 CG GLU A 35 -4.700 -9.057 8.305 1.00 0.00 C ATOM 526 CD GLU A 35 -4.831 -9.857 7.007 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.979 -11.065 7.092 1.00 0.00 O ATOM 528 OE2 GLU A 35 -4.779 -9.248 5.951 1.00 0.00 O ATOM 0 H GLU A 35 -3.407 -8.918 11.592 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.143 -8.319 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.356 -10.675 9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.037 -10.473 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.322 -8.163 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.671 -8.723 8.436 1.00 0.00 H new ATOM 535 N GLN A 36 -7.036 -10.142 12.079 1.00 0.00 N ATOM 536 CA GLN A 36 -7.499 -10.964 13.233 1.00 0.00 C ATOM 537 C GLN A 36 -8.657 -11.870 12.807 1.00 0.00 C ATOM 538 O GLN A 36 -9.741 -11.809 13.354 1.00 0.00 O ATOM 539 CB GLN A 36 -7.969 -9.949 14.277 1.00 0.00 C ATOM 540 CG GLN A 36 -6.758 -9.202 14.842 1.00 0.00 C ATOM 541 CD GLN A 36 -7.228 -8.175 15.873 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.402 -7.775 16.801 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -8.358 -7.728 15.832 1.00 0.00 N flip ATOM 0 H GLN A 36 -7.774 -9.807 11.460 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.714 -11.614 13.619 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.667 -9.244 13.826 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.503 -10.457 15.080 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.066 -9.906 15.304 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.217 -8.704 14.038 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.004 -8.040 15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.660 -7.041 16.523 1.00 0.00 H new ATOM 552 N SER A 37 -8.436 -12.711 11.834 1.00 0.00 N ATOM 553 CA SER A 37 -9.525 -13.621 11.374 1.00 0.00 C ATOM 554 C SER A 37 -9.109 -15.082 11.568 1.00 0.00 C ATOM 555 O SER A 37 -7.973 -15.449 11.340 1.00 0.00 O ATOM 556 CB SER A 37 -9.703 -13.307 9.889 1.00 0.00 C ATOM 557 OG SER A 37 -10.833 -14.005 9.390 1.00 0.00 O ATOM 0 H SER A 37 -7.550 -12.808 11.338 1.00 0.00 H new ATOM 0 HA SER A 37 -10.449 -13.476 11.934 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.833 -12.234 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.810 -13.597 9.336 1.00 0.00 H new ATOM 0 HG SER A 37 -10.948 -13.803 8.438 1.00 0.00 H new ATOM 563 N GLY A 38 -10.018 -15.918 11.988 1.00 0.00 N ATOM 564 CA GLY A 38 -9.673 -17.352 12.196 1.00 0.00 C ATOM 565 C GLY A 38 -8.932 -17.509 13.524 1.00 0.00 C ATOM 566 O GLY A 38 -8.885 -16.602 14.331 1.00 0.00 O ATOM 0 H GLY A 38 -10.985 -15.670 12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.579 -17.959 12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.051 -17.711 11.376 1.00 0.00 H new ATOM 570 N GLU A 39 -8.351 -18.653 13.758 1.00 0.00 N ATOM 571 CA GLU A 39 -7.611 -18.864 15.035 1.00 0.00 C ATOM 572 C GLU A 39 -6.257 -18.152 14.983 1.00 0.00 C ATOM 573 O GLU A 39 -5.769 -17.649 15.976 1.00 0.00 O ATOM 574 CB GLU A 39 -7.418 -20.378 15.136 1.00 0.00 C ATOM 575 CG GLU A 39 -8.785 -21.067 15.117 1.00 0.00 C ATOM 576 CD GLU A 39 -9.518 -20.783 16.429 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.913 -20.187 17.305 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.671 -21.166 16.536 1.00 0.00 O ATOM 0 H GLU A 39 -8.356 -19.450 13.122 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.148 -18.464 15.895 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.807 -20.734 14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.885 -20.627 16.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.374 -20.707 14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.661 -22.142 14.983 1.00 0.00 H new ATOM 585 N TRP A 40 -5.646 -18.106 13.830 1.00 0.00 N ATOM 586 CA TRP A 40 -4.323 -17.427 13.713 1.00 0.00 C ATOM 587 C TRP A 40 -4.507 -15.989 13.219 1.00 0.00 C ATOM 588 O TRP A 40 -5.364 -15.709 12.404 1.00 0.00 O ATOM 589 CB TRP A 40 -3.546 -18.249 12.683 1.00 0.00 C ATOM 590 CG TRP A 40 -3.248 -19.602 13.245 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.016 -20.702 13.072 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.116 -20.016 14.062 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.427 -21.765 13.732 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.254 -21.393 14.357 1.00 0.00 C ATOM 595 CE3 TRP A 40 -0.994 -19.337 14.572 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.312 -22.072 15.131 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.045 -20.017 15.350 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.203 -21.382 15.629 1.00 0.00 C ATOM 0 H TRP A 40 -6.005 -18.509 12.965 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.803 -17.371 14.669 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.127 -18.345 11.766 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.618 -17.740 12.421 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.938 -20.743 12.511 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.813 -22.709 13.754 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.863 -18.286 14.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.439 -23.123 15.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.812 -19.486 15.736 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.531 -21.900 16.228 1.00 0.00 H new ATOM 609 N TRP A 41 -3.710 -15.077 13.704 1.00 0.00 N ATOM 610 CA TRP A 41 -3.842 -13.659 13.258 1.00 0.00 C ATOM 611 C TRP A 41 -2.571 -13.211 12.533 1.00 0.00 C ATOM 612 O TRP A 41 -1.491 -13.707 12.788 1.00 0.00 O ATOM 613 CB TRP A 41 -4.037 -12.857 14.544 1.00 0.00 C ATOM 614 CG TRP A 41 -5.399 -13.124 15.097 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.399 -13.748 14.432 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.929 -12.790 16.412 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.508 -13.817 15.255 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.268 -13.239 16.487 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.382 -12.145 17.536 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.038 -13.057 17.637 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.154 -11.959 18.695 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.480 -12.414 18.744 1.00 0.00 C ATOM 0 H TRP A 41 -2.974 -15.251 14.389 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.669 -13.520 12.561 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.276 -13.131 15.275 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.917 -11.792 14.343 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.340 -14.130 13.423 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.395 -14.243 14.986 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.362 -11.791 17.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.058 -13.411 17.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.724 -11.463 19.553 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.069 -12.267 19.637 1.00 0.00 H new ATOM 633 N LYS A 42 -2.690 -12.274 11.633 1.00 0.00 N ATOM 634 CA LYS A 42 -1.488 -11.791 10.895 1.00 0.00 C ATOM 635 C LYS A 42 -0.846 -10.623 11.648 1.00 0.00 C ATOM 636 O LYS A 42 -1.526 -9.781 12.200 1.00 0.00 O ATOM 637 CB LYS A 42 -2.017 -11.329 9.537 1.00 0.00 C ATOM 638 CG LYS A 42 -0.856 -11.218 8.547 1.00 0.00 C ATOM 639 CD LYS A 42 -1.360 -10.612 7.236 1.00 0.00 C ATOM 640 CE LYS A 42 -0.205 -10.519 6.238 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.213 -9.102 5.776 1.00 0.00 N ATOM 0 H LYS A 42 -3.568 -11.822 11.376 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.725 -12.563 10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.760 -12.035 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.516 -10.365 9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.064 -10.597 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.425 -12.202 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.162 -11.225 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.778 -9.622 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.745 -10.777 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.346 -11.207 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.552 -8.957 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.127 -8.888 5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.070 -8.471 6.590 1.00 0.00 H new ATOM 655 N ALA A 43 0.459 -10.563 11.676 1.00 0.00 N ATOM 656 CA ALA A 43 1.134 -9.445 12.396 1.00 0.00 C ATOM 657 C ALA A 43 2.454 -9.086 11.708 1.00 0.00 C ATOM 658 O ALA A 43 2.918 -9.784 10.828 1.00 0.00 O ATOM 659 CB ALA A 43 1.394 -9.980 13.805 1.00 0.00 C ATOM 0 H ALA A 43 1.084 -11.237 11.233 1.00 0.00 H new ATOM 0 HA ALA A 43 0.527 -8.539 12.407 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.891 -9.213 14.400 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.447 -10.246 14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.031 -10.863 13.747 1.00 0.00 H new ATOM 665 N GLN A 44 3.061 -8.001 12.105 1.00 0.00 N ATOM 666 CA GLN A 44 4.351 -7.593 11.481 1.00 0.00 C ATOM 667 C GLN A 44 5.383 -7.280 12.567 1.00 0.00 C ATOM 668 O GLN A 44 5.084 -6.629 13.550 1.00 0.00 O ATOM 669 CB GLN A 44 4.022 -6.338 10.674 1.00 0.00 C ATOM 670 CG GLN A 44 5.294 -5.806 10.011 1.00 0.00 C ATOM 671 CD GLN A 44 4.981 -4.498 9.281 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.836 -4.101 9.187 1.00 0.00 O ATOM 673 NE2 GLN A 44 5.955 -3.808 8.755 1.00 0.00 N ATOM 0 H GLN A 44 2.718 -7.378 12.836 1.00 0.00 H new ATOM 0 HA GLN A 44 4.775 -8.378 10.855 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.273 -6.567 9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.594 -5.576 11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.066 -5.640 10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.686 -6.542 9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.916 -4.141 8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.756 -2.936 8.265 1.00 0.00 H new ATOM 682 N SER A 45 6.594 -7.736 12.403 1.00 0.00 N ATOM 683 CA SER A 45 7.639 -7.462 13.430 1.00 0.00 C ATOM 684 C SER A 45 7.994 -5.974 13.440 1.00 0.00 C ATOM 685 O SER A 45 8.127 -5.350 12.406 1.00 0.00 O ATOM 686 CB SER A 45 8.845 -8.298 13.003 1.00 0.00 C ATOM 687 OG SER A 45 8.508 -9.677 13.055 1.00 0.00 O ATOM 0 H SER A 45 6.905 -8.286 11.603 1.00 0.00 H new ATOM 0 HA SER A 45 7.304 -7.715 14.436 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.151 -8.025 11.993 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.692 -8.095 13.658 1.00 0.00 H new ATOM 0 HG SER A 45 9.281 -10.213 12.780 1.00 0.00 H new ATOM 693 N LEU A 46 8.151 -5.400 14.602 1.00 0.00 N ATOM 694 CA LEU A 46 8.502 -3.953 14.678 1.00 0.00 C ATOM 695 C LEU A 46 10.021 -3.777 14.624 1.00 0.00 C ATOM 696 O LEU A 46 10.523 -2.686 14.444 1.00 0.00 O ATOM 697 CB LEU A 46 7.956 -3.485 16.027 1.00 0.00 C ATOM 698 CG LEU A 46 6.477 -3.861 16.139 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.962 -3.497 17.532 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.674 -3.098 15.083 1.00 0.00 C ATOM 0 H LEU A 46 8.051 -5.870 15.502 1.00 0.00 H new ATOM 0 HA LEU A 46 8.085 -3.381 13.849 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.521 -3.944 16.839 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.076 -2.406 16.125 1.00 0.00 H new ATOM 0 HG LEU A 46 6.362 -4.933 15.978 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.908 -3.765 17.612 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.533 -4.041 18.285 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.077 -2.425 17.694 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.621 -3.366 15.163 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.789 -2.026 15.243 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.040 -3.358 14.090 1.00 0.00 H new ATOM 712 N THR A 47 10.755 -4.844 14.777 1.00 0.00 N ATOM 713 CA THR A 47 12.242 -4.739 14.735 1.00 0.00 C ATOM 714 C THR A 47 12.768 -5.196 13.372 1.00 0.00 C ATOM 715 O THR A 47 13.804 -4.754 12.916 1.00 0.00 O ATOM 716 CB THR A 47 12.736 -5.672 15.842 1.00 0.00 C ATOM 717 OG1 THR A 47 12.282 -6.993 15.581 1.00 0.00 O ATOM 718 CG2 THR A 47 12.194 -5.201 17.192 1.00 0.00 C ATOM 0 H THR A 47 10.390 -5.784 14.929 1.00 0.00 H new ATOM 0 HA THR A 47 12.588 -3.715 14.880 1.00 0.00 H new ATOM 0 HB THR A 47 13.826 -5.659 15.869 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.599 -7.593 16.288 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.548 -5.868 17.979 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.543 -4.188 17.391 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.104 -5.211 17.170 1.00 0.00 H new ATOM 726 N THR A 48 12.065 -6.081 12.718 1.00 0.00 N ATOM 727 CA THR A 48 12.531 -6.565 11.386 1.00 0.00 C ATOM 728 C THR A 48 11.568 -6.108 10.286 1.00 0.00 C ATOM 729 O THR A 48 11.797 -6.336 9.115 1.00 0.00 O ATOM 730 CB THR A 48 12.534 -8.090 11.498 1.00 0.00 C ATOM 731 OG1 THR A 48 11.200 -8.555 11.645 1.00 0.00 O ATOM 732 CG2 THR A 48 13.361 -8.513 12.714 1.00 0.00 C ATOM 0 H THR A 48 11.190 -6.489 13.047 1.00 0.00 H new ATOM 0 HA THR A 48 13.514 -6.173 11.126 1.00 0.00 H new ATOM 0 HB THR A 48 12.972 -8.520 10.597 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.209 -9.508 11.874 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.362 -9.600 12.793 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.385 -8.156 12.600 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.926 -8.084 13.617 1.00 0.00 H new ATOM 740 N GLY A 49 10.495 -5.461 10.653 1.00 0.00 N ATOM 741 CA GLY A 49 9.521 -4.987 9.628 1.00 0.00 C ATOM 742 C GLY A 49 8.999 -6.176 8.819 1.00 0.00 C ATOM 743 O GLY A 49 8.404 -6.012 7.773 1.00 0.00 O ATOM 0 H GLY A 49 10.251 -5.240 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.691 -4.473 10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.999 -4.266 8.965 1.00 0.00 H new ATOM 747 N GLN A 50 9.221 -7.373 9.288 1.00 0.00 N ATOM 748 CA GLN A 50 8.737 -8.567 8.536 1.00 0.00 C ATOM 749 C GLN A 50 7.295 -8.897 8.930 1.00 0.00 C ATOM 750 O GLN A 50 6.833 -8.536 9.995 1.00 0.00 O ATOM 751 CB GLN A 50 9.678 -9.700 8.948 1.00 0.00 C ATOM 752 CG GLN A 50 10.859 -9.759 7.977 1.00 0.00 C ATOM 753 CD GLN A 50 11.905 -10.743 8.506 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.863 -11.132 9.656 1.00 0.00 O ATOM 755 NE2 GLN A 50 12.847 -11.167 7.708 1.00 0.00 N ATOM 0 H GLN A 50 9.715 -7.577 10.157 1.00 0.00 H new ATOM 0 HA GLN A 50 8.739 -8.404 7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.037 -9.538 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.144 -10.650 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.517 -10.071 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.300 -8.769 7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.883 -10.841 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.547 -11.825 8.050 1.00 0.00 H new ATOM 764 N GLU A 51 6.584 -9.585 8.080 1.00 0.00 N ATOM 765 CA GLU A 51 5.174 -9.943 8.404 1.00 0.00 C ATOM 766 C GLU A 51 5.025 -11.464 8.479 1.00 0.00 C ATOM 767 O GLU A 51 5.573 -12.191 7.676 1.00 0.00 O ATOM 768 CB GLU A 51 4.344 -9.379 7.251 1.00 0.00 C ATOM 769 CG GLU A 51 4.428 -7.851 7.263 1.00 0.00 C ATOM 770 CD GLU A 51 3.477 -7.279 6.210 1.00 0.00 C ATOM 771 OE1 GLU A 51 2.922 -8.061 5.455 1.00 0.00 O ATOM 772 OE2 GLU A 51 3.317 -6.070 6.178 1.00 0.00 O ATOM 0 H GLU A 51 6.918 -9.915 7.175 1.00 0.00 H new ATOM 0 HA GLU A 51 4.855 -9.542 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.711 -9.767 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.306 -9.698 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.166 -7.470 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.450 -7.531 7.058 1.00 0.00 H new ATOM 779 N GLY A 52 4.288 -11.952 9.440 1.00 0.00 N ATOM 780 CA GLY A 52 4.110 -13.425 9.563 1.00 0.00 C ATOM 781 C GLY A 52 2.880 -13.724 10.420 1.00 0.00 C ATOM 782 O GLY A 52 2.455 -12.913 11.219 1.00 0.00 O ATOM 0 H GLY A 52 3.803 -11.395 10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.994 -13.871 8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.996 -13.872 10.013 1.00 0.00 H new ATOM 786 N PHE A 53 2.304 -14.885 10.262 1.00 0.00 N ATOM 787 CA PHE A 53 1.104 -15.237 11.071 1.00 0.00 C ATOM 788 C PHE A 53 1.499 -15.416 12.537 1.00 0.00 C ATOM 789 O PHE A 53 2.571 -15.896 12.846 1.00 0.00 O ATOM 790 CB PHE A 53 0.603 -16.558 10.485 1.00 0.00 C ATOM 791 CG PHE A 53 -0.008 -16.306 9.128 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.296 -15.766 9.030 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.713 -16.614 7.968 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.862 -15.532 7.771 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.146 -16.380 6.709 1.00 0.00 C ATOM 796 CZ PHE A 53 -1.142 -15.840 6.610 1.00 0.00 C ATOM 0 H PHE A 53 2.613 -15.604 9.608 1.00 0.00 H new ATOM 0 HA PHE A 53 0.338 -14.463 11.037 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.427 -17.266 10.399 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.135 -17.007 11.150 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.853 -15.530 9.925 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.706 -17.032 8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.855 -15.114 7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.703 -16.616 5.814 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.580 -15.661 5.639 1.00 0.00 H new ATOM 806 N ILE A 54 0.645 -15.032 13.445 1.00 0.00 N ATOM 807 CA ILE A 54 0.982 -15.181 14.889 1.00 0.00 C ATOM 808 C ILE A 54 -0.227 -15.702 15.667 1.00 0.00 C ATOM 809 O ILE A 54 -1.285 -15.104 15.648 1.00 0.00 O ATOM 810 CB ILE A 54 1.357 -13.775 15.358 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.198 -12.816 15.079 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.602 -13.302 14.606 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.225 -12.133 16.381 1.00 0.00 C ATOM 0 H ILE A 54 -0.269 -14.623 13.251 1.00 0.00 H new ATOM 0 HA ILE A 54 1.791 -15.893 15.050 1.00 0.00 H new ATOM 0 HB ILE A 54 1.563 -13.793 16.428 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.499 -12.068 14.345 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.644 -13.361 14.652 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.870 -12.300 14.940 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.429 -13.984 14.806 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.396 -13.285 13.536 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.051 -11.450 16.182 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.543 -12.887 17.101 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.617 -11.575 16.789 1.00 0.00 H new ATOM 825 N PRO A 55 -0.025 -16.803 16.334 1.00 0.00 N ATOM 826 CA PRO A 55 -1.139 -17.380 17.126 1.00 0.00 C ATOM 827 C PRO A 55 -1.810 -16.288 17.961 1.00 0.00 C ATOM 828 O PRO A 55 -1.239 -15.246 18.214 1.00 0.00 O ATOM 829 CB PRO A 55 -0.463 -18.418 18.016 1.00 0.00 C ATOM 830 CG PRO A 55 0.954 -17.966 18.130 1.00 0.00 C ATOM 831 CD PRO A 55 1.282 -17.213 16.867 1.00 0.00 C ATOM 0 HA PRO A 55 -1.923 -17.818 16.508 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.941 -18.470 18.994 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.525 -19.414 17.578 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.086 -17.328 19.004 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.621 -18.819 18.254 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.915 -16.350 17.072 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.820 -17.842 16.158 1.00 0.00 H new ATOM 839 N PHE A 56 -3.024 -16.513 18.382 1.00 0.00 N ATOM 840 CA PHE A 56 -3.734 -15.482 19.191 1.00 0.00 C ATOM 841 C PHE A 56 -3.601 -15.781 20.689 1.00 0.00 C ATOM 842 O PHE A 56 -4.127 -15.066 21.519 1.00 0.00 O ATOM 843 CB PHE A 56 -5.197 -15.566 18.743 1.00 0.00 C ATOM 844 CG PHE A 56 -5.877 -16.739 19.413 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.730 -18.029 18.889 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.654 -16.533 20.560 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.362 -19.113 19.512 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.285 -17.617 21.182 1.00 0.00 C ATOM 849 CZ PHE A 56 -7.138 -18.907 20.659 1.00 0.00 C ATOM 0 H PHE A 56 -3.555 -17.365 18.201 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.319 -14.485 19.041 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.717 -14.642 18.995 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.248 -15.676 17.660 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.130 -18.188 18.005 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.766 -15.538 20.965 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.251 -20.108 19.107 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.885 -17.458 22.066 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.623 -19.743 21.140 1.00 0.00 H new ATOM 859 N ASN A 57 -2.910 -16.829 21.045 1.00 0.00 N ATOM 860 CA ASN A 57 -2.758 -17.162 22.490 1.00 0.00 C ATOM 861 C ASN A 57 -1.395 -16.695 23.013 1.00 0.00 C ATOM 862 O ASN A 57 -1.233 -16.422 24.185 1.00 0.00 O ATOM 863 CB ASN A 57 -2.858 -18.687 22.555 1.00 0.00 C ATOM 864 CG ASN A 57 -4.322 -19.111 22.425 1.00 0.00 C ATOM 865 OD1 ASN A 57 -5.193 -18.525 23.035 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.631 -20.114 21.649 1.00 0.00 N ATOM 0 H ASN A 57 -2.445 -17.468 20.400 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.514 -16.671 23.103 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.267 -19.135 21.756 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.446 -19.049 23.497 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.604 -20.405 21.555 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.899 -20.606 21.136 1.00 0.00 H new ATOM 873 N PHE A 58 -0.413 -16.604 22.156 1.00 0.00 N ATOM 874 CA PHE A 58 0.934 -16.159 22.617 1.00 0.00 C ATOM 875 C PHE A 58 1.052 -14.636 22.535 1.00 0.00 C ATOM 876 O PHE A 58 2.010 -14.054 23.001 1.00 0.00 O ATOM 877 CB PHE A 58 1.927 -16.825 21.661 1.00 0.00 C ATOM 878 CG PHE A 58 1.652 -18.312 21.592 1.00 0.00 C ATOM 879 CD1 PHE A 58 0.944 -18.948 22.621 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.109 -19.052 20.498 1.00 0.00 C ATOM 881 CE1 PHE A 58 0.695 -20.323 22.553 1.00 0.00 C ATOM 882 CE2 PHE A 58 1.860 -20.428 20.430 1.00 0.00 C ATOM 883 CZ PHE A 58 1.152 -21.064 21.457 1.00 0.00 C ATOM 0 H PHE A 58 -0.485 -16.818 21.161 1.00 0.00 H new ATOM 0 HA PHE A 58 1.120 -16.435 23.655 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.842 -16.384 20.668 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.947 -16.650 22.002 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.591 -18.376 23.467 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.654 -18.562 19.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.150 -20.813 23.346 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.214 -20.999 19.585 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.959 -22.125 21.404 1.00 0.00 H new ATOM 893 N VAL A 59 0.087 -13.983 21.949 1.00 0.00 N ATOM 894 CA VAL A 59 0.153 -12.497 21.847 1.00 0.00 C ATOM 895 C VAL A 59 -1.108 -11.870 22.446 1.00 0.00 C ATOM 896 O VAL A 59 -2.195 -12.399 22.321 1.00 0.00 O ATOM 897 CB VAL A 59 0.240 -12.203 20.349 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.470 -12.899 19.765 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.020 -12.722 19.653 1.00 0.00 C ATOM 0 H VAL A 59 -0.742 -14.412 21.537 1.00 0.00 H new ATOM 0 HA VAL A 59 1.002 -12.084 22.391 1.00 0.00 H new ATOM 0 HB VAL A 59 0.323 -11.127 20.193 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.533 -12.690 18.697 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.367 -12.529 20.261 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.387 -13.975 19.920 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.958 -12.513 18.585 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.104 -13.798 19.808 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.896 -12.226 20.070 1.00 0.00 H new ATOM 909 N ALA A 60 -0.973 -10.748 23.097 1.00 0.00 N ATOM 910 CA ALA A 60 -2.167 -10.092 23.704 1.00 0.00 C ATOM 911 C ALA A 60 -2.161 -8.593 23.395 1.00 0.00 C ATOM 912 O ALA A 60 -1.160 -8.036 22.988 1.00 0.00 O ATOM 913 CB ALA A 60 -2.029 -10.331 25.207 1.00 0.00 C ATOM 0 H ALA A 60 -0.090 -10.257 23.235 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.102 -10.492 23.312 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.873 -9.877 25.727 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.015 -11.403 25.405 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.101 -9.884 25.563 1.00 0.00 H new