USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 741 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 29 THR OG1 : rot 64:sc= 0.954 USER MOD Set 1.2: A 31 HIS : no HD1:sc= 0.776 K(o=1.7,f=-5.3!) USER MOD Set 2.1: A 23 SER OG : rot -46:sc= 0.751 USER MOD Set 2.2: A 26 GLN : amide:sc= -3.91! C(o=-3.2!,f=-8.3!) USER MOD Single : A 14 GLN : amide:sc= -0.979 K(o=-0.98,f=-5.3!) USER MOD Single : A 15 GLN : amide:sc= -0.987 X(o=-0.99,f=-0.98) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -113:sc= -0.452 (180deg=-2.14!) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -1.85 (180deg=-2.03) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -170:sc= -1.11 USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0.868 (180deg=-0.0749) USER MOD Single : A 41 SER OG : rot -40:sc= 0.812 USER MOD Single : A 43 SER OG : rot 180:sc= -0.192 USER MOD Single : A 67 ASN : amide:sc= -0.99 K(o=-0.99,f=-0.0015) USER MOD Single : A 68 THR OG1 : rot 66:sc= 0.143 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.12 K(o=-2.1,f=-0.26) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.039) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= -0.981 (180deg=-0.997) USER MOD Single : A 79 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.35) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -94:sc= 0.0629 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.237 K(o=-0.24,f=-2) USER MOD Single : A 92 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0048) USER MOD Single : A 101 THR OG1 : rot 90:sc= -0.582 USER MOD Single : A 112 GLN : amide:sc= 0.0499 X(o=0.05,f=0) USER MOD Single : A 113 SER OG : rot -37:sc= 0.824 USER MOD Single : A 118 THR OG1 : rot -80:sc= 0.096 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.975 12.406 -1.321 1.00 0.00 N ATOM 113 CA GLN A 14 1.384 11.461 -0.294 1.00 0.00 C ATOM 114 C GLN A 14 2.415 10.478 -0.843 1.00 0.00 C ATOM 115 O GLN A 14 2.123 9.701 -1.753 1.00 0.00 O ATOM 116 CB GLN A 14 0.161 10.709 0.238 1.00 0.00 C ATOM 117 CG GLN A 14 0.504 9.454 1.023 1.00 0.00 C ATOM 118 CD GLN A 14 1.187 9.749 2.346 1.00 0.00 C ATOM 119 OE1 GLN A 14 1.896 10.746 2.486 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.976 8.879 3.325 1.00 0.00 N ATOM 0 HA GLN A 14 1.845 12.014 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.416 11.379 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.480 10.437 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.409 8.888 1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.153 8.820 0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.381 8.066 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.409 9.023 4.237 1.00 0.00 H new ATOM 129 N GLN A 15 3.621 10.518 -0.284 1.00 0.00 N ATOM 130 CA GLN A 15 4.695 9.631 -0.717 1.00 0.00 C ATOM 131 C GLN A 15 5.607 9.266 0.449 1.00 0.00 C ATOM 132 O GLN A 15 5.890 10.093 1.315 1.00 0.00 O ATOM 133 CB GLN A 15 5.512 10.291 -1.831 1.00 0.00 C ATOM 134 CG GLN A 15 6.708 9.469 -2.281 1.00 0.00 C ATOM 135 CD GLN A 15 7.479 10.127 -3.410 1.00 0.00 C ATOM 136 OE1 GLN A 15 8.066 9.448 -4.254 1.00 0.00 O ATOM 137 NE2 GLN A 15 7.485 11.456 -3.431 1.00 0.00 N ATOM 0 H GLN A 15 3.879 11.155 0.470 1.00 0.00 H new ATOM 0 HA GLN A 15 4.242 8.716 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.863 10.470 -2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.861 11.264 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.376 9.312 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.367 8.486 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.985 11.980 -2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.989 11.952 -4.166 1.00 0.00 H new ATOM 146 N GLY A 16 6.064 8.017 0.460 1.00 0.00 N ATOM 147 CA GLY A 16 6.942 7.554 1.518 1.00 0.00 C ATOM 148 C GLY A 16 7.258 6.076 1.400 1.00 0.00 C ATOM 149 O GLY A 16 7.644 5.600 0.331 1.00 0.00 O ATOM 0 H GLY A 16 5.841 7.317 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.870 8.125 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.476 7.747 2.484 1.00 0.00 H new ATOM 153 N GLU A 17 7.091 5.346 2.498 1.00 0.00 N ATOM 154 CA GLU A 17 7.364 3.914 2.511 1.00 0.00 C ATOM 155 C GLU A 17 6.162 3.132 3.031 1.00 0.00 C ATOM 156 O GLU A 17 5.272 3.692 3.671 1.00 0.00 O ATOM 157 CB GLU A 17 8.592 3.617 3.374 1.00 0.00 C ATOM 158 CG GLU A 17 9.856 4.309 2.893 1.00 0.00 C ATOM 159 CD GLU A 17 11.049 4.030 3.785 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.748 3.023 3.545 1.00 0.00 O ATOM 161 OE2 GLU A 17 11.284 4.816 4.727 1.00 0.00 O ATOM 0 H GLU A 17 6.768 5.722 3.389 1.00 0.00 H new ATOM 0 HA GLU A 17 7.561 3.599 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.388 3.924 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.762 2.540 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.081 3.981 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.683 5.384 2.850 1.00 0.00 H new ATOM 168 N LEU A 18 6.147 1.833 2.749 1.00 0.00 N ATOM 169 CA LEU A 18 5.059 0.965 3.186 1.00 0.00 C ATOM 170 C LEU A 18 5.474 -0.501 3.099 1.00 0.00 C ATOM 171 O LEU A 18 6.362 -0.857 2.323 1.00 0.00 O ATOM 172 CB LEU A 18 3.810 1.207 2.334 1.00 0.00 C ATOM 173 CG LEU A 18 2.556 1.611 3.115 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.405 1.890 2.162 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.173 0.527 4.113 1.00 0.00 C ATOM 0 H LEU A 18 6.877 1.358 2.219 1.00 0.00 H new ATOM 0 HA LEU A 18 4.829 1.201 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.032 1.987 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.592 0.299 1.772 1.00 0.00 H new ATOM 0 HG LEU A 18 2.775 2.524 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.521 2.176 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.679 2.701 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.188 0.993 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.280 0.833 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.973 -0.403 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.992 0.374 4.816 1.00 0.00 H new ATOM 187 N TYR A 19 4.831 -1.347 3.896 1.00 0.00 N ATOM 188 CA TYR A 19 5.142 -2.770 3.908 1.00 0.00 C ATOM 189 C TYR A 19 4.022 -3.586 3.274 1.00 0.00 C ATOM 190 O TYR A 19 2.843 -3.381 3.567 1.00 0.00 O ATOM 191 CB TYR A 19 5.393 -3.246 5.339 1.00 0.00 C ATOM 192 CG TYR A 19 6.633 -2.651 5.965 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.665 -1.319 6.357 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.771 -3.421 6.163 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.797 -0.771 6.928 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.907 -2.880 6.734 1.00 0.00 C ATOM 197 CZ TYR A 19 8.915 -1.556 7.115 1.00 0.00 C ATOM 198 OH TYR A 19 10.045 -1.014 7.684 1.00 0.00 O ATOM 0 H TYR A 19 4.091 -1.071 4.542 1.00 0.00 H new ATOM 0 HA TYR A 19 6.046 -2.920 3.318 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.529 -2.994 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.480 -4.333 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.791 -0.702 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.768 -4.459 5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.806 0.267 7.226 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.785 -3.492 6.881 1.00 0.00 H new ATOM 0 HH TYR A 19 10.742 -1.700 7.746 1.00 0.00 H new ATOM 208 N MET A 20 4.404 -4.512 2.403 1.00 0.00 N ATOM 209 CA MET A 20 3.448 -5.372 1.718 1.00 0.00 C ATOM 210 C MET A 20 3.825 -6.838 1.894 1.00 0.00 C ATOM 211 O MET A 20 5.003 -7.174 2.025 1.00 0.00 O ATOM 212 CB MET A 20 3.392 -5.018 0.232 1.00 0.00 C ATOM 213 CG MET A 20 2.740 -3.673 -0.047 1.00 0.00 C ATOM 214 SD MET A 20 3.041 -3.089 -1.727 1.00 0.00 S ATOM 215 CE MET A 20 2.269 -4.391 -2.683 1.00 0.00 C ATOM 0 H MET A 20 5.377 -4.687 2.153 1.00 0.00 H new ATOM 0 HA MET A 20 2.463 -5.213 2.157 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.405 -5.012 -0.170 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.843 -5.796 -0.298 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.666 -3.753 0.118 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.118 -2.937 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.033 -4.940 -3.234 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.745 -5.073 -2.013 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.558 -3.955 -3.385 1.00 0.00 H new ATOM 225 N TRP A 21 2.822 -7.708 1.901 1.00 0.00 N ATOM 226 CA TRP A 21 3.053 -9.137 2.071 1.00 0.00 C ATOM 227 C TRP A 21 3.851 -9.717 0.907 1.00 0.00 C ATOM 228 O TRP A 21 3.469 -9.574 -0.255 1.00 0.00 O ATOM 229 CB TRP A 21 1.723 -9.883 2.212 1.00 0.00 C ATOM 230 CG TRP A 21 1.876 -11.375 2.231 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.203 -12.277 1.458 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.763 -12.138 3.059 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.614 -13.554 1.756 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.571 -13.495 2.735 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.701 -11.808 4.042 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.282 -14.517 3.358 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.405 -12.825 4.660 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.192 -14.164 4.315 1.00 0.00 C ATOM 0 H TRP A 21 1.842 -7.449 1.791 1.00 0.00 H new ATOM 0 HA TRP A 21 3.636 -9.268 2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.232 -9.564 3.131 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.068 -9.603 1.387 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.456 -12.024 0.720 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.264 -14.407 1.320 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.873 -10.777 4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.120 -15.552 3.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.131 -12.582 5.421 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.759 -14.935 4.815 1.00 0.00 H new ATOM 249 N ASP A 22 4.960 -10.372 1.232 1.00 0.00 N ATOM 250 CA ASP A 22 5.813 -10.991 0.225 1.00 0.00 C ATOM 251 C ASP A 22 5.569 -12.496 0.186 1.00 0.00 C ATOM 252 O ASP A 22 6.004 -13.225 1.079 1.00 0.00 O ATOM 253 CB ASP A 22 7.286 -10.705 0.523 1.00 0.00 C ATOM 254 CG ASP A 22 7.604 -9.223 0.498 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.472 -8.570 1.554 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.986 -8.717 -0.578 1.00 0.00 O ATOM 0 H ASP A 22 5.290 -10.488 2.190 1.00 0.00 H new ATOM 0 HA ASP A 22 5.567 -10.566 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.542 -11.112 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.908 -11.220 -0.209 1.00 0.00 H new ATOM 261 N SER A 23 4.869 -12.951 -0.852 1.00 0.00 N ATOM 262 CA SER A 23 4.553 -14.368 -1.005 1.00 0.00 C ATOM 263 C SER A 23 5.725 -15.143 -1.601 1.00 0.00 C ATOM 264 O SER A 23 5.588 -16.315 -1.957 1.00 0.00 O ATOM 265 CB SER A 23 3.312 -14.545 -1.882 1.00 0.00 C ATOM 266 OG SER A 23 2.915 -15.904 -1.938 1.00 0.00 O ATOM 0 H SER A 23 4.510 -12.357 -1.600 1.00 0.00 H new ATOM 0 HA SER A 23 4.353 -14.770 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.495 -13.941 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.520 -14.182 -2.889 1.00 0.00 H new ATOM 0 HG SER A 23 3.701 -16.468 -2.092 1.00 0.00 H new ATOM 272 N ILE A 24 6.872 -14.487 -1.719 1.00 0.00 N ATOM 273 CA ILE A 24 8.061 -15.133 -2.259 1.00 0.00 C ATOM 274 C ILE A 24 9.018 -15.492 -1.133 1.00 0.00 C ATOM 275 O ILE A 24 9.481 -16.628 -1.033 1.00 0.00 O ATOM 276 CB ILE A 24 8.786 -14.232 -3.279 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.824 -13.817 -4.396 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.998 -14.953 -3.854 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.416 -12.821 -5.370 1.00 0.00 C ATOM 0 H ILE A 24 7.004 -13.512 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 24 7.737 -16.038 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 24 9.132 -13.333 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.512 -14.706 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.927 -13.387 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.500 -14.305 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.688 -15.204 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.675 -15.866 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.677 -12.574 -6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.702 -11.915 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.296 -13.255 -5.845 1.00 0.00 H new ATOM 291 N ASP A 25 9.309 -14.512 -0.288 1.00 0.00 N ATOM 292 CA ASP A 25 10.189 -14.720 0.850 1.00 0.00 C ATOM 293 C ASP A 25 9.362 -14.938 2.108 1.00 0.00 C ATOM 294 O ASP A 25 9.903 -15.084 3.204 1.00 0.00 O ATOM 295 CB ASP A 25 11.119 -13.520 1.037 1.00 0.00 C ATOM 296 CG ASP A 25 12.139 -13.398 -0.078 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.819 -12.770 -1.108 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.257 -13.932 0.080 1.00 0.00 O ATOM 0 H ASP A 25 8.946 -13.562 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 25 10.799 -15.604 0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.525 -12.607 1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.638 -13.611 1.991 1.00 0.00 H new ATOM 303 N GLN A 26 8.040 -14.968 1.931 1.00 0.00 N ATOM 304 CA GLN A 26 7.118 -15.160 3.036 1.00 0.00 C ATOM 305 C GLN A 26 7.514 -14.300 4.228 1.00 0.00 C ATOM 306 O GLN A 26 7.828 -14.807 5.305 1.00 0.00 O ATOM 307 CB GLN A 26 7.060 -16.635 3.414 1.00 0.00 C ATOM 308 CG GLN A 26 6.018 -17.414 2.622 1.00 0.00 C ATOM 309 CD GLN A 26 5.970 -17.045 1.151 1.00 0.00 C ATOM 310 OE1 GLN A 26 6.996 -16.772 0.530 1.00 0.00 O ATOM 311 NE2 GLN A 26 4.767 -17.031 0.588 1.00 0.00 N ATOM 0 H GLN A 26 7.588 -14.860 1.023 1.00 0.00 H new ATOM 0 HA GLN A 26 6.123 -14.846 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.040 -17.084 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.840 -16.723 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.227 -18.480 2.714 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.036 -17.242 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.942 -17.264 1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.668 -16.787 -0.397 1.00 0.00 H new ATOM 320 N LYS A 27 7.493 -12.985 4.017 1.00 0.00 N ATOM 321 CA LYS A 27 7.856 -12.033 5.061 1.00 0.00 C ATOM 322 C LYS A 27 7.524 -10.606 4.636 1.00 0.00 C ATOM 323 O LYS A 27 6.918 -10.386 3.587 1.00 0.00 O ATOM 324 CB LYS A 27 9.346 -12.149 5.390 1.00 0.00 C ATOM 325 CG LYS A 27 10.261 -11.709 4.259 1.00 0.00 C ATOM 326 CD LYS A 27 11.724 -11.933 4.609 1.00 0.00 C ATOM 327 CE LYS A 27 12.648 -11.383 3.535 1.00 0.00 C ATOM 328 NZ LYS A 27 12.518 -9.907 3.394 1.00 0.00 N ATOM 0 H LYS A 27 7.228 -12.556 3.131 1.00 0.00 H new ATOM 0 HA LYS A 27 7.276 -12.270 5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.561 -11.548 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.572 -13.184 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.013 -12.262 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.094 -10.653 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.948 -11.454 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.909 -13.000 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.680 -11.635 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.421 -11.860 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.898 -9.612 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.515 -9.639 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.050 -9.437 4.154 1.00 0.00 H new ATOM 342 N TRP A 28 7.922 -9.639 5.458 1.00 0.00 N ATOM 343 CA TRP A 28 7.667 -8.233 5.165 1.00 0.00 C ATOM 344 C TRP A 28 8.927 -7.540 4.658 1.00 0.00 C ATOM 345 O TRP A 28 10.017 -7.741 5.194 1.00 0.00 O ATOM 346 CB TRP A 28 7.147 -7.514 6.411 1.00 0.00 C ATOM 347 CG TRP A 28 5.784 -7.966 6.835 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.488 -8.895 7.792 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.529 -7.510 6.317 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.127 -9.042 7.903 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.517 -8.206 7.006 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.160 -6.580 5.338 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.165 -8.003 6.747 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.817 -6.380 5.083 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.835 -7.089 5.785 1.00 0.00 C ATOM 0 H TRP A 28 8.422 -9.804 6.332 1.00 0.00 H new ATOM 0 HA TRP A 28 6.909 -8.188 4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.846 -7.674 7.232 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.122 -6.441 6.218 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.218 -9.435 8.376 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.649 -9.671 8.548 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.911 -6.029 4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.404 -8.548 7.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.520 -5.665 4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.794 -6.910 5.562 1.00 0.00 H new ATOM 366 N THR A 29 8.766 -6.724 3.621 1.00 0.00 N ATOM 367 CA THR A 29 9.886 -5.994 3.039 1.00 0.00 C ATOM 368 C THR A 29 9.579 -4.502 2.958 1.00 0.00 C ATOM 369 O THR A 29 8.430 -4.086 3.114 1.00 0.00 O ATOM 370 CB THR A 29 10.226 -6.509 1.628 1.00 0.00 C ATOM 371 OG1 THR A 29 9.062 -6.471 0.797 1.00 0.00 O ATOM 372 CG2 THR A 29 10.767 -7.929 1.680 1.00 0.00 C ATOM 0 H THR A 29 7.869 -6.552 3.166 1.00 0.00 H new ATOM 0 HA THR A 29 10.743 -6.158 3.692 1.00 0.00 H new ATOM 0 HB THR A 29 10.995 -5.860 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.775 -5.542 0.679 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.999 -8.267 0.670 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.672 -7.951 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.018 -8.588 2.120 1.00 0.00 H new ATOM 380 N ARG A 30 10.612 -3.702 2.713 1.00 0.00 N ATOM 381 CA ARG A 30 10.449 -2.257 2.606 1.00 0.00 C ATOM 382 C ARG A 30 10.154 -1.850 1.167 1.00 0.00 C ATOM 383 O ARG A 30 10.875 -2.231 0.245 1.00 0.00 O ATOM 384 CB ARG A 30 11.705 -1.541 3.107 1.00 0.00 C ATOM 385 CG ARG A 30 11.957 -1.722 4.593 1.00 0.00 C ATOM 386 CD ARG A 30 13.057 -0.800 5.089 1.00 0.00 C ATOM 387 NE ARG A 30 13.328 -0.985 6.511 1.00 0.00 N ATOM 388 CZ ARG A 30 14.155 -0.216 7.212 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.792 0.788 6.624 1.00 0.00 N ATOM 390 NH2 ARG A 30 14.348 -0.450 8.503 1.00 0.00 N ATOM 0 H ARG A 30 11.569 -4.030 2.585 1.00 0.00 H new ATOM 0 HA ARG A 30 9.603 -1.964 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.568 -1.910 2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.617 -0.477 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.038 -1.524 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.232 -2.758 4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.968 -0.984 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.771 0.236 4.907 1.00 0.00 H new ATOM 0 HE ARG A 30 12.855 -1.749 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.648 0.972 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.426 1.376 7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.861 -1.221 8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.983 0.141 9.039 1.00 0.00 H new ATOM 404 N HIS A 31 9.091 -1.073 0.982 1.00 0.00 N ATOM 405 CA HIS A 31 8.702 -0.618 -0.348 1.00 0.00 C ATOM 406 C HIS A 31 8.546 0.898 -0.387 1.00 0.00 C ATOM 407 O HIS A 31 7.909 1.488 0.485 1.00 0.00 O ATOM 408 CB HIS A 31 7.383 -1.271 -0.772 1.00 0.00 C ATOM 409 CG HIS A 31 7.388 -2.764 -0.692 1.00 0.00 C ATOM 410 ND1 HIS A 31 7.731 -3.574 -1.755 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.074 -3.598 0.328 1.00 0.00 C ATOM 412 CE1 HIS A 31 7.627 -4.840 -1.392 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.231 -4.880 -0.133 1.00 0.00 N ATOM 0 H HIS A 31 8.485 -0.746 1.735 1.00 0.00 H new ATOM 0 HA HIS A 31 9.493 -0.909 -1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.581 -0.887 -0.142 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.155 -0.973 -1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.759 -3.308 1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.831 -5.696 -2.018 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.068 -5.728 0.410 1.00 0.00 H new ATOM 422 N TYR A 32 9.130 1.523 -1.403 1.00 0.00 N ATOM 423 CA TYR A 32 9.033 2.968 -1.562 1.00 0.00 C ATOM 424 C TYR A 32 7.768 3.315 -2.337 1.00 0.00 C ATOM 425 O TYR A 32 7.753 3.286 -3.569 1.00 0.00 O ATOM 426 CB TYR A 32 10.265 3.514 -2.286 1.00 0.00 C ATOM 427 CG TYR A 32 10.371 5.021 -2.252 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.931 5.671 -1.159 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.911 5.795 -3.311 1.00 0.00 C ATOM 430 CE1 TYR A 32 11.029 7.049 -1.122 1.00 0.00 C ATOM 431 CE2 TYR A 32 10.007 7.173 -3.281 1.00 0.00 C ATOM 432 CZ TYR A 32 10.566 7.795 -2.185 1.00 0.00 C ATOM 433 OH TYR A 32 10.663 9.166 -2.151 1.00 0.00 O ATOM 0 H TYR A 32 9.674 1.053 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 32 8.986 3.428 -0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.160 3.085 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.241 3.184 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.296 5.090 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.472 5.312 -4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.466 7.539 -0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.646 7.760 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 32 10.292 9.541 -2.977 1.00 0.00 H new ATOM 443 N CYS A 33 6.705 3.637 -1.609 1.00 0.00 N ATOM 444 CA CYS A 33 5.424 3.962 -2.225 1.00 0.00 C ATOM 445 C CYS A 33 5.324 5.437 -2.595 1.00 0.00 C ATOM 446 O CYS A 33 6.047 6.280 -2.062 1.00 0.00 O ATOM 447 CB CYS A 33 4.279 3.584 -1.284 1.00 0.00 C ATOM 448 SG CYS A 33 4.098 1.805 -1.021 1.00 0.00 S ATOM 0 H CYS A 33 6.705 3.680 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 33 5.349 3.385 -3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.439 4.069 -0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.346 3.978 -1.688 1.00 0.00 H new ATOM 0 HG CYS A 33 2.987 1.571 -0.387 1.00 0.00 H new ATOM 454 N ALA A 34 4.415 5.730 -3.518 1.00 0.00 N ATOM 455 CA ALA A 34 4.183 7.091 -3.986 1.00 0.00 C ATOM 456 C ALA A 34 2.891 7.154 -4.790 1.00 0.00 C ATOM 457 O ALA A 34 2.785 6.550 -5.857 1.00 0.00 O ATOM 458 CB ALA A 34 5.357 7.573 -4.824 1.00 0.00 C ATOM 0 H ALA A 34 3.819 5.032 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 34 4.089 7.748 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.167 8.591 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.265 7.556 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.481 6.918 -5.687 1.00 0.00 H new ATOM 464 N ILE A 35 1.909 7.890 -4.279 1.00 0.00 N ATOM 465 CA ILE A 35 0.621 8.008 -4.952 1.00 0.00 C ATOM 466 C ILE A 35 0.616 9.154 -5.957 1.00 0.00 C ATOM 467 O ILE A 35 0.693 10.324 -5.586 1.00 0.00 O ATOM 468 CB ILE A 35 -0.522 8.217 -3.939 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.573 7.048 -2.952 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.854 8.366 -4.663 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.552 7.250 -1.816 1.00 0.00 C ATOM 0 H ILE A 35 1.980 8.411 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 35 0.460 7.071 -5.486 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.332 9.134 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.840 6.140 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.423 6.891 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.650 8.513 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.811 9.226 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.055 7.466 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.532 6.380 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.274 8.139 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.557 7.376 -2.220 1.00 0.00 H new ATOM 483 N ALA A 36 0.524 8.798 -7.234 1.00 0.00 N ATOM 484 CA ALA A 36 0.500 9.782 -8.308 1.00 0.00 C ATOM 485 C ALA A 36 -0.910 9.938 -8.864 1.00 0.00 C ATOM 486 O ALA A 36 -1.527 8.963 -9.293 1.00 0.00 O ATOM 487 CB ALA A 36 1.463 9.377 -9.413 1.00 0.00 C ATOM 0 H ALA A 36 0.465 7.830 -7.550 1.00 0.00 H new ATOM 0 HA ALA A 36 0.816 10.743 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.436 10.120 -10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.474 9.314 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.171 8.406 -9.813 1.00 0.00 H new ATOM 493 N ASP A 37 -1.412 11.169 -8.854 1.00 0.00 N ATOM 494 CA ASP A 37 -2.754 11.462 -9.354 1.00 0.00 C ATOM 495 C ASP A 37 -3.816 10.741 -8.524 1.00 0.00 C ATOM 496 O ASP A 37 -4.387 11.319 -7.599 1.00 0.00 O ATOM 497 CB ASP A 37 -2.878 11.068 -10.828 1.00 0.00 C ATOM 498 CG ASP A 37 -4.253 11.369 -11.393 1.00 0.00 C ATOM 499 OD1 ASP A 37 -4.453 12.492 -11.900 1.00 0.00 O ATOM 500 OD2 ASP A 37 -5.129 10.481 -11.327 1.00 0.00 O ATOM 0 H ASP A 37 -0.908 11.984 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.918 12.536 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.125 11.601 -11.408 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.669 10.004 -10.936 1.00 0.00 H new ATOM 505 N ALA A 38 -4.076 9.480 -8.859 1.00 0.00 N ATOM 506 CA ALA A 38 -5.070 8.692 -8.138 1.00 0.00 C ATOM 507 C ALA A 38 -4.620 7.244 -7.950 1.00 0.00 C ATOM 508 O ALA A 38 -5.295 6.462 -7.282 1.00 0.00 O ATOM 509 CB ALA A 38 -6.405 8.737 -8.866 1.00 0.00 C ATOM 0 H ALA A 38 -3.614 8.984 -9.622 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.184 9.133 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.138 8.145 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.748 9.769 -8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.286 8.329 -9.870 1.00 0.00 H new ATOM 515 N LYS A 39 -3.482 6.890 -8.539 1.00 0.00 N ATOM 516 CA LYS A 39 -2.957 5.533 -8.428 1.00 0.00 C ATOM 517 C LYS A 39 -1.737 5.487 -7.514 1.00 0.00 C ATOM 518 O LYS A 39 -1.090 6.506 -7.273 1.00 0.00 O ATOM 519 CB LYS A 39 -2.597 4.987 -9.810 1.00 0.00 C ATOM 520 CG LYS A 39 -3.811 4.621 -10.648 1.00 0.00 C ATOM 521 CD LYS A 39 -3.409 3.953 -11.952 1.00 0.00 C ATOM 522 CE LYS A 39 -4.595 3.802 -12.891 1.00 0.00 C ATOM 523 NZ LYS A 39 -4.199 3.194 -14.192 1.00 0.00 N ATOM 0 H LYS A 39 -2.907 7.522 -9.096 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.735 4.908 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.007 5.731 -10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.967 4.105 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.458 3.952 -10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.390 5.519 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.631 4.542 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.982 2.972 -11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.356 3.182 -12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.044 4.779 -13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.743 3.634 -14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.183 3.350 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.393 2.173 -14.171 1.00 0.00 H new ATOM 537 N LEU A 40 -1.430 4.296 -7.009 1.00 0.00 N ATOM 538 CA LEU A 40 -0.290 4.112 -6.117 1.00 0.00 C ATOM 539 C LEU A 40 0.840 3.362 -6.817 1.00 0.00 C ATOM 540 O LEU A 40 0.681 2.209 -7.213 1.00 0.00 O ATOM 541 CB LEU A 40 -0.724 3.353 -4.860 1.00 0.00 C ATOM 542 CG LEU A 40 0.418 2.786 -4.013 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.310 3.906 -3.498 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.133 1.966 -2.856 1.00 0.00 C ATOM 0 H LEU A 40 -1.955 3.443 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 40 0.081 5.097 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.318 4.022 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.376 2.532 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 40 1.020 2.131 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.116 3.483 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.733 4.451 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.721 4.588 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.693 1.571 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.759 2.599 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.728 1.140 -3.246 1.00 0.00 H new ATOM 556 N SER A 41 1.986 4.019 -6.956 1.00 0.00 N ATOM 557 CA SER A 41 3.141 3.412 -7.607 1.00 0.00 C ATOM 558 C SER A 41 4.190 3.003 -6.578 1.00 0.00 C ATOM 559 O SER A 41 4.851 3.852 -5.980 1.00 0.00 O ATOM 560 CB SER A 41 3.753 4.381 -8.621 1.00 0.00 C ATOM 561 OG SER A 41 4.165 5.583 -7.994 1.00 0.00 O ATOM 0 H SER A 41 2.140 4.972 -6.627 1.00 0.00 H new ATOM 0 HA SER A 41 2.803 2.518 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.607 3.911 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.024 4.605 -9.400 1.00 0.00 H new ATOM 0 HG SER A 41 3.501 5.846 -7.323 1.00 0.00 H new ATOM 567 N PHE A 42 4.337 1.696 -6.378 1.00 0.00 N ATOM 568 CA PHE A 42 5.306 1.176 -5.420 1.00 0.00 C ATOM 569 C PHE A 42 6.562 0.681 -6.130 1.00 0.00 C ATOM 570 O PHE A 42 6.481 0.035 -7.176 1.00 0.00 O ATOM 571 CB PHE A 42 4.687 0.044 -4.595 1.00 0.00 C ATOM 572 CG PHE A 42 4.156 -1.090 -5.425 1.00 0.00 C ATOM 573 CD1 PHE A 42 2.864 -1.052 -5.927 1.00 0.00 C ATOM 574 CD2 PHE A 42 4.944 -2.196 -5.701 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.370 -2.094 -6.690 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.457 -3.240 -6.462 1.00 0.00 C ATOM 577 CZ PHE A 42 3.168 -3.189 -6.957 1.00 0.00 C ATOM 0 H PHE A 42 3.799 0.980 -6.866 1.00 0.00 H new ATOM 0 HA PHE A 42 5.588 1.988 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.437 -0.343 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.876 0.449 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.236 -0.198 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.952 -2.242 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.362 -2.052 -7.076 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.083 -4.095 -6.670 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.785 -4.005 -7.552 1.00 0.00 H new ATOM 587 N SER A 43 7.721 0.991 -5.557 1.00 0.00 N ATOM 588 CA SER A 43 8.995 0.578 -6.134 1.00 0.00 C ATOM 589 C SER A 43 9.482 -0.722 -5.502 1.00 0.00 C ATOM 590 O SER A 43 8.961 -1.158 -4.476 1.00 0.00 O ATOM 591 CB SER A 43 10.043 1.676 -5.943 1.00 0.00 C ATOM 592 OG SER A 43 11.293 1.290 -6.488 1.00 0.00 O ATOM 0 H SER A 43 7.804 1.527 -4.693 1.00 0.00 H new ATOM 0 HA SER A 43 8.846 0.408 -7.200 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.703 2.595 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.157 1.893 -4.881 1.00 0.00 H new ATOM 0 HG SER A 43 11.944 2.010 -6.354 1.00 0.00 H new ATOM 598 N ASP A 44 10.484 -1.338 -6.122 1.00 0.00 N ATOM 599 CA ASP A 44 11.043 -2.588 -5.620 1.00 0.00 C ATOM 600 C ASP A 44 11.694 -2.379 -4.257 1.00 0.00 C ATOM 601 O ASP A 44 11.936 -1.243 -3.846 1.00 0.00 O ATOM 602 CB ASP A 44 12.070 -3.148 -6.607 1.00 0.00 C ATOM 603 CG ASP A 44 13.234 -2.203 -6.831 1.00 0.00 C ATOM 604 OD1 ASP A 44 14.190 -2.239 -6.027 1.00 0.00 O ATOM 605 OD2 ASP A 44 13.191 -1.429 -7.810 1.00 0.00 O ATOM 0 H ASP A 44 10.926 -0.991 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 44 10.228 -3.304 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.446 -4.101 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.581 -3.350 -7.560 1.00 0.00 H new ATOM 610 N ASP A 45 11.969 -3.478 -3.558 1.00 0.00 N ATOM 611 CA ASP A 45 12.594 -3.414 -2.241 1.00 0.00 C ATOM 612 C ASP A 45 13.805 -2.485 -2.257 1.00 0.00 C ATOM 613 O ASP A 45 14.644 -2.559 -3.154 1.00 0.00 O ATOM 614 CB ASP A 45 13.015 -4.812 -1.790 1.00 0.00 C ATOM 615 CG ASP A 45 11.902 -5.828 -1.948 1.00 0.00 C ATOM 616 OD1 ASP A 45 10.915 -5.749 -1.189 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.015 -6.701 -2.834 1.00 0.00 O ATOM 0 H ASP A 45 11.768 -4.424 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 45 11.864 -3.015 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.881 -5.132 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.325 -4.776 -0.746 1.00 0.00 H new ATOM 622 N ILE A 46 13.886 -1.610 -1.259 1.00 0.00 N ATOM 623 CA ILE A 46 14.989 -0.661 -1.159 1.00 0.00 C ATOM 624 C ILE A 46 16.232 -1.313 -0.562 1.00 0.00 C ATOM 625 O ILE A 46 17.352 -0.852 -0.784 1.00 0.00 O ATOM 626 CB ILE A 46 14.600 0.559 -0.303 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.123 0.108 1.081 1.00 0.00 C ATOM 628 CG2 ILE A 46 13.523 1.374 -1.005 1.00 0.00 C ATOM 629 CD1 ILE A 46 13.830 1.252 2.029 1.00 0.00 C ATOM 0 H ILE A 46 13.200 -1.539 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 46 15.213 -0.331 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 46 15.479 1.191 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.223 -0.496 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.883 -0.534 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.257 2.233 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 46 13.898 1.720 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 46 12.641 0.753 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.498 0.854 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.734 1.844 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.048 1.883 1.607 1.00 0.00 H new ATOM 641 N GLU A 47 16.029 -2.386 0.195 1.00 0.00 N ATOM 642 CA GLU A 47 17.136 -3.099 0.824 1.00 0.00 C ATOM 643 C GLU A 47 17.029 -4.601 0.582 1.00 0.00 C ATOM 644 O GLU A 47 18.038 -5.297 0.483 1.00 0.00 O ATOM 645 CB GLU A 47 17.170 -2.811 2.326 1.00 0.00 C ATOM 646 CG GLU A 47 15.807 -2.889 2.993 1.00 0.00 C ATOM 647 CD GLU A 47 15.888 -2.734 4.499 1.00 0.00 C ATOM 648 OE1 GLU A 47 16.080 -1.593 4.970 1.00 0.00 O ATOM 649 OE2 GLU A 47 15.762 -3.754 5.208 1.00 0.00 O ATOM 0 H GLU A 47 15.109 -2.781 0.388 1.00 0.00 H new ATOM 0 HA GLU A 47 18.063 -2.745 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.842 -3.521 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.587 -1.817 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.161 -2.111 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.343 -3.846 2.754 1.00 0.00 H new ATOM 841 N ARG A 61 8.012 0.185 -9.593 1.00 0.00 N ATOM 842 CA ARG A 61 8.061 -1.259 -9.782 1.00 0.00 C ATOM 843 C ARG A 61 6.690 -1.793 -10.186 1.00 0.00 C ATOM 844 O ARG A 61 6.583 -2.814 -10.865 1.00 0.00 O ATOM 845 CB ARG A 61 8.532 -1.945 -8.497 1.00 0.00 C ATOM 846 CG ARG A 61 8.635 -3.458 -8.611 1.00 0.00 C ATOM 847 CD ARG A 61 9.754 -3.873 -9.552 1.00 0.00 C ATOM 848 NE ARG A 61 9.826 -5.324 -9.712 1.00 0.00 N ATOM 849 CZ ARG A 61 10.611 -5.930 -10.596 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.388 -5.216 -11.400 1.00 0.00 N ATOM 851 NH2 ARG A 61 10.620 -7.254 -10.679 1.00 0.00 N ATOM 0 HA ARG A 61 8.769 -1.478 -10.581 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.506 -1.544 -8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.842 -1.697 -7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.811 -3.887 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.688 -3.862 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.600 -3.408 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.705 -3.503 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 61 9.241 -5.904 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.384 -4.198 -11.341 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.989 -5.685 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.024 -7.808 -10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.223 -7.718 -11.358 1.00 0.00 H new ATOM 865 N GLY A 62 5.645 -1.088 -9.762 1.00 0.00 N ATOM 866 CA GLY A 62 4.291 -1.496 -10.084 1.00 0.00 C ATOM 867 C GLY A 62 3.264 -0.460 -9.670 1.00 0.00 C ATOM 868 O GLY A 62 3.496 0.316 -8.744 1.00 0.00 O ATOM 0 H GLY A 62 5.713 -0.240 -9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.213 -1.673 -11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.071 -2.441 -9.588 1.00 0.00 H new ATOM 872 N ILE A 63 2.127 -0.445 -10.360 1.00 0.00 N ATOM 873 CA ILE A 63 1.064 0.504 -10.058 1.00 0.00 C ATOM 874 C ILE A 63 -0.189 -0.212 -9.564 1.00 0.00 C ATOM 875 O ILE A 63 -0.532 -1.292 -10.047 1.00 0.00 O ATOM 876 CB ILE A 63 0.703 1.359 -11.289 1.00 0.00 C ATOM 877 CG1 ILE A 63 1.934 2.124 -11.783 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.429 2.322 -10.956 1.00 0.00 C ATOM 879 CD1 ILE A 63 1.671 2.979 -13.004 1.00 0.00 C ATOM 0 H ILE A 63 1.920 -1.080 -11.131 1.00 0.00 H new ATOM 0 HA ILE A 63 1.440 1.158 -9.271 1.00 0.00 H new ATOM 0 HB ILE A 63 0.365 0.697 -12.086 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.303 2.760 -10.978 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.725 1.411 -12.014 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.671 2.918 -11.836 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.309 1.757 -10.647 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.119 2.982 -10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.589 3.490 -13.295 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.332 2.347 -13.825 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.903 3.717 -12.773 1.00 0.00 H new ATOM 891 N LEU A 64 -0.867 0.399 -8.599 1.00 0.00 N ATOM 892 CA LEU A 64 -2.083 -0.169 -8.036 1.00 0.00 C ATOM 893 C LEU A 64 -3.272 0.739 -8.320 1.00 0.00 C ATOM 894 O LEU A 64 -3.466 1.751 -7.645 1.00 0.00 O ATOM 895 CB LEU A 64 -1.921 -0.367 -6.524 1.00 0.00 C ATOM 896 CG LEU A 64 -2.869 -1.382 -5.877 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.866 -2.695 -6.646 1.00 0.00 C ATOM 898 CD2 LEU A 64 -2.473 -1.616 -4.429 1.00 0.00 C ATOM 0 H LEU A 64 -0.592 1.292 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.264 -1.138 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.896 -0.679 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.062 0.596 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.880 -0.975 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.547 -3.399 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.191 -2.517 -7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.859 -3.111 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.153 -2.339 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.454 -2.002 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.527 -0.676 -3.880 1.00 0.00 H new ATOM 910 N ASP A 65 -4.056 0.379 -9.333 1.00 0.00 N ATOM 911 CA ASP A 65 -5.228 1.160 -9.708 1.00 0.00 C ATOM 912 C ASP A 65 -6.169 1.311 -8.518 1.00 0.00 C ATOM 913 O ASP A 65 -6.954 0.411 -8.222 1.00 0.00 O ATOM 914 CB ASP A 65 -5.963 0.489 -10.870 1.00 0.00 C ATOM 915 CG ASP A 65 -5.039 0.147 -12.022 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.243 -0.805 -11.880 1.00 0.00 O ATOM 917 OD2 ASP A 65 -5.111 0.828 -13.065 1.00 0.00 O ATOM 0 H ASP A 65 -3.900 -0.449 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.896 2.149 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.446 -0.421 -10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.753 1.150 -11.226 1.00 0.00 H new ATOM 922 N LEU A 66 -6.086 2.450 -7.840 1.00 0.00 N ATOM 923 CA LEU A 66 -6.927 2.709 -6.676 1.00 0.00 C ATOM 924 C LEU A 66 -8.353 3.060 -7.091 1.00 0.00 C ATOM 925 O LEU A 66 -9.086 3.708 -6.343 1.00 0.00 O ATOM 926 CB LEU A 66 -6.328 3.836 -5.834 1.00 0.00 C ATOM 927 CG LEU A 66 -4.925 3.558 -5.287 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.368 4.792 -4.594 1.00 0.00 C ATOM 929 CD2 LEU A 66 -4.946 2.373 -4.333 1.00 0.00 C ATOM 0 H LEU A 66 -5.446 3.208 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.966 1.799 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.293 4.742 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.995 4.038 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.274 3.311 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.370 4.575 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.313 5.615 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.021 5.071 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.940 2.192 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.613 2.589 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.300 1.487 -4.861 1.00 0.00 H new ATOM 941 N ASN A 67 -8.743 2.624 -8.283 1.00 0.00 N ATOM 942 CA ASN A 67 -10.083 2.882 -8.792 1.00 0.00 C ATOM 943 C ASN A 67 -10.874 1.583 -8.904 1.00 0.00 C ATOM 944 O ASN A 67 -12.053 1.591 -9.255 1.00 0.00 O ATOM 945 CB ASN A 67 -10.010 3.569 -10.158 1.00 0.00 C ATOM 946 CG ASN A 67 -9.254 4.883 -10.108 1.00 0.00 C ATOM 947 OD1 ASN A 67 -8.611 5.279 -11.081 1.00 0.00 O ATOM 948 ND2 ASN A 67 -9.329 5.570 -8.974 1.00 0.00 N ATOM 0 H ASN A 67 -8.148 2.089 -8.916 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.594 3.542 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.526 2.902 -10.871 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.020 3.749 -10.525 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.843 6.462 -8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.873 5.206 -8.192 1.00 0.00 H new ATOM 955 N THR A 68 -10.215 0.467 -8.600 1.00 0.00 N ATOM 956 CA THR A 68 -10.855 -0.843 -8.669 1.00 0.00 C ATOM 957 C THR A 68 -10.379 -1.758 -7.542 1.00 0.00 C ATOM 958 O THR A 68 -9.879 -2.855 -7.791 1.00 0.00 O ATOM 959 CB THR A 68 -10.583 -1.531 -10.021 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.171 -1.653 -10.234 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.208 -0.749 -11.165 1.00 0.00 C ATOM 0 H THR A 68 -9.239 0.444 -8.304 1.00 0.00 H new ATOM 0 HA THR A 68 -11.926 -0.672 -8.562 1.00 0.00 H new ATOM 0 HB THR A 68 -11.033 -2.523 -9.994 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.791 -2.261 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.001 -1.256 -12.108 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.286 -0.685 -11.016 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.785 0.255 -11.193 1.00 0.00 H new ATOM 969 N TYR A 69 -10.534 -1.300 -6.304 1.00 0.00 N ATOM 970 CA TYR A 69 -10.130 -2.084 -5.139 1.00 0.00 C ATOM 971 C TYR A 69 -10.994 -1.741 -3.927 1.00 0.00 C ATOM 972 O TYR A 69 -11.782 -0.796 -3.958 1.00 0.00 O ATOM 973 CB TYR A 69 -8.660 -1.833 -4.789 1.00 0.00 C ATOM 974 CG TYR A 69 -7.682 -2.727 -5.519 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.331 -3.967 -5.000 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.104 -2.331 -6.718 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.435 -4.788 -5.656 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.208 -3.148 -7.381 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.876 -4.375 -6.846 1.00 0.00 C ATOM 980 OH TYR A 69 -4.983 -5.189 -7.503 1.00 0.00 O ATOM 0 H TYR A 69 -10.936 -0.390 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.264 -3.135 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.419 -0.794 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.526 -1.969 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.766 -4.295 -4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.359 -1.370 -7.139 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.174 -5.749 -5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.770 -2.827 -8.314 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.684 -4.749 -8.326 1.00 0.00 H new ATOM 990 N ASN A 70 -10.836 -2.522 -2.862 1.00 0.00 N ATOM 991 CA ASN A 70 -11.577 -2.301 -1.625 1.00 0.00 C ATOM 992 C ASN A 70 -10.648 -2.440 -0.424 1.00 0.00 C ATOM 993 O ASN A 70 -9.929 -3.429 -0.298 1.00 0.00 O ATOM 994 CB ASN A 70 -12.737 -3.291 -1.500 1.00 0.00 C ATOM 995 CG ASN A 70 -13.788 -3.097 -2.574 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.695 -2.276 -2.431 1.00 0.00 O ATOM 997 ND2 ASN A 70 -13.678 -3.861 -3.653 1.00 0.00 N ATOM 0 H ASN A 70 -10.198 -3.317 -2.832 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.985 -1.291 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.349 -4.308 -1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.200 -3.180 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.361 -3.781 -4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.910 -4.528 -3.729 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.670 -1.452 0.460 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.816 -1.474 1.639 1.00 0.00 C ATOM 1006 C VAL A 71 -10.566 -2.018 2.852 1.00 0.00 C ATOM 1007 O VAL A 71 -11.675 -1.578 3.157 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.278 -0.067 1.969 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.250 -0.138 3.088 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.680 0.584 0.732 1.00 0.00 C ATOM 0 H VAL A 71 -11.267 -0.629 0.384 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.977 -2.131 1.410 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.112 0.548 2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.881 0.864 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.713 -0.558 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.418 -0.771 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.307 1.576 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.859 -0.028 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.445 0.672 -0.039 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.951 -2.977 3.535 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.553 -3.590 4.713 1.00 0.00 C ATOM 1022 C VAL A 72 -9.545 -3.683 5.853 1.00 0.00 C ATOM 1023 O VAL A 72 -8.414 -4.127 5.659 1.00 0.00 O ATOM 1024 CB VAL A 72 -11.100 -4.998 4.404 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.540 -4.918 3.923 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.224 -5.707 3.382 1.00 0.00 C ATOM 0 H VAL A 72 -9.032 -3.348 3.292 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.383 -2.951 5.014 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.081 -5.582 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.909 -5.921 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.157 -4.461 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.588 -4.314 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.630 -6.698 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.202 -5.129 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.212 -5.803 3.774 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.963 -3.260 7.041 1.00 0.00 N ATOM 1037 CA LYS A 73 -9.093 -3.288 8.210 1.00 0.00 C ATOM 1038 C LYS A 73 -9.048 -4.679 8.832 1.00 0.00 C ATOM 1039 O LYS A 73 -10.021 -5.136 9.429 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.564 -2.262 9.245 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.665 -2.161 10.471 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.102 -3.104 11.582 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.454 -2.709 12.155 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.888 -3.628 13.243 1.00 0.00 N ATOM 0 H LYS A 73 -10.898 -2.894 7.219 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.085 -3.031 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.624 -1.283 8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.572 -2.522 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.638 -2.389 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.673 -1.136 10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.154 -4.122 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.355 -3.102 12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.401 -1.691 12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.199 -2.711 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.814 -3.323 13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.964 -4.596 12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.190 -3.607 14.014 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.911 -5.347 8.676 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.725 -6.680 9.234 1.00 0.00 C ATOM 1060 C ALA A 74 -7.098 -6.596 10.628 1.00 0.00 C ATOM 1061 O ALA A 74 -6.002 -6.053 10.788 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.855 -7.523 8.312 1.00 0.00 C ATOM 0 H ALA A 74 -7.104 -4.987 8.167 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.701 -7.156 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.725 -8.516 8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.335 -7.610 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.881 -7.048 8.196 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.784 -7.134 11.657 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.291 -7.113 13.036 1.00 0.00 C ATOM 1070 C PRO A 75 -6.270 -8.210 13.315 1.00 0.00 C ATOM 1071 O PRO A 75 -6.122 -9.148 12.532 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.558 -7.345 13.845 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.364 -8.240 12.981 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.100 -7.799 11.565 1.00 0.00 C ATOM 0 HA PRO A 75 -6.768 -6.186 13.273 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.340 -7.807 14.808 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.079 -6.410 14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.078 -9.282 13.125 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.424 -8.164 13.222 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.076 -8.645 10.878 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.871 -7.118 11.205 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.569 -8.084 14.440 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.560 -9.063 14.834 1.00 0.00 C ATOM 1084 C GLN A 76 -3.517 -9.241 13.737 1.00 0.00 C ATOM 1085 O GLN A 76 -2.816 -10.252 13.690 1.00 0.00 O ATOM 1086 CB GLN A 76 -5.220 -10.405 15.151 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.290 -10.309 16.224 1.00 0.00 C ATOM 1088 CD GLN A 76 -6.795 -11.667 16.675 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -7.953 -11.812 17.064 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -5.924 -12.670 16.629 1.00 0.00 N ATOM 0 H GLN A 76 -5.682 -7.311 15.096 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.059 -8.693 15.728 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.663 -10.808 14.240 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.455 -11.111 15.473 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.889 -9.772 17.084 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.127 -9.723 15.844 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.973 -12.505 16.299 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.207 -13.605 16.923 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.417 -8.246 12.864 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.461 -8.309 11.776 1.00 0.00 C ATOM 1101 C GLY A 77 -2.856 -9.322 10.722 1.00 0.00 C ATOM 1102 O GLY A 77 -4.041 -9.494 10.429 1.00 0.00 O ATOM 0 H GLY A 77 -3.981 -7.397 12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.372 -7.325 11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.479 -8.565 12.173 1.00 0.00 H new ATOM 1106 N LYS A 78 -1.866 -9.998 10.150 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.119 -11.000 9.125 1.00 0.00 C ATOM 1108 C LYS A 78 -1.099 -12.130 9.203 1.00 0.00 C ATOM 1109 O LYS A 78 -1.459 -13.295 9.372 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.084 -10.357 7.742 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.558 -11.280 6.633 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.971 -11.791 6.883 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.963 -10.649 7.032 1.00 0.00 C ATOM 1114 NZ LYS A 78 -6.364 -11.139 7.141 1.00 0.00 N ATOM 0 H LYS A 78 -0.881 -9.869 10.380 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.109 -11.421 9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.706 -9.462 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.065 -10.035 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.527 -10.749 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.876 -12.126 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.277 -12.434 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.982 -12.403 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.713 -10.065 7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.878 -9.981 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.001 -10.334 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.635 -11.616 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.437 -11.809 7.933 1.00 0.00 H new ATOM 1128 N ASN A 79 0.173 -11.775 9.080 1.00 0.00 N ATOM 1129 CA ASN A 79 1.252 -12.754 9.142 1.00 0.00 C ATOM 1130 C ASN A 79 1.950 -12.698 10.497 1.00 0.00 C ATOM 1131 O ASN A 79 1.877 -13.641 11.285 1.00 0.00 O ATOM 1132 CB ASN A 79 2.262 -12.498 8.021 1.00 0.00 C ATOM 1133 CG ASN A 79 1.639 -12.615 6.645 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.609 -13.695 6.055 1.00 0.00 O ATOM 1135 ND2 ASN A 79 1.136 -11.502 6.125 1.00 0.00 N ATOM 0 H ASN A 79 0.484 -10.814 8.936 1.00 0.00 H new ATOM 0 HA ASN A 79 0.823 -13.748 9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.689 -11.502 8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.084 -13.209 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.703 -11.521 5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.182 -10.628 6.649 1.00 0.00 H new ATOM 1142 N GLN A 80 2.628 -11.585 10.757 1.00 0.00 N ATOM 1143 CA GLN A 80 3.338 -11.389 12.017 1.00 0.00 C ATOM 1144 C GLN A 80 3.158 -9.958 12.508 1.00 0.00 C ATOM 1145 O GLN A 80 3.848 -9.509 13.423 1.00 0.00 O ATOM 1146 CB GLN A 80 4.826 -11.701 11.844 1.00 0.00 C ATOM 1147 CG GLN A 80 5.103 -13.136 11.426 1.00 0.00 C ATOM 1148 CD GLN A 80 6.583 -13.419 11.258 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.423 -12.816 11.927 1.00 0.00 O ATOM 1150 NE2 GLN A 80 6.912 -14.341 10.361 1.00 0.00 N ATOM 0 H GLN A 80 2.701 -10.801 10.109 1.00 0.00 H new ATOM 0 HA GLN A 80 2.921 -12.070 12.759 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.246 -11.027 11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.342 -11.499 12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.690 -13.814 12.173 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.588 -13.343 10.488 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.184 -14.817 9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.893 -14.574 10.205 1.00 0.00 H new ATOM 1159 N LYS A 81 2.218 -9.250 11.888 1.00 0.00 N ATOM 1160 CA LYS A 81 1.936 -7.864 12.242 1.00 0.00 C ATOM 1161 C LYS A 81 0.782 -7.772 13.235 1.00 0.00 C ATOM 1162 O LYS A 81 0.290 -8.787 13.730 1.00 0.00 O ATOM 1163 CB LYS A 81 1.595 -7.067 10.984 1.00 0.00 C ATOM 1164 CG LYS A 81 2.753 -6.943 10.012 1.00 0.00 C ATOM 1165 CD LYS A 81 3.808 -5.979 10.525 1.00 0.00 C ATOM 1166 CE LYS A 81 5.019 -5.955 9.613 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.995 -4.903 10.009 1.00 0.00 N ATOM 0 H LYS A 81 1.637 -9.617 11.134 1.00 0.00 H new ATOM 0 HA LYS A 81 2.826 -7.447 12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.756 -7.544 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.266 -6.069 11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.201 -7.923 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.383 -6.599 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.384 -4.977 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.112 -6.270 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.508 -6.929 9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.696 -5.782 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.807 -4.921 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.537 -3.970 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.323 -5.082 10.979 1.00 0.00 H new ATOM 1181 N SER A 82 0.356 -6.545 13.519 1.00 0.00 N ATOM 1182 CA SER A 82 -0.747 -6.304 14.441 1.00 0.00 C ATOM 1183 C SER A 82 -1.832 -5.477 13.759 1.00 0.00 C ATOM 1184 O SER A 82 -3.018 -5.616 14.058 1.00 0.00 O ATOM 1185 CB SER A 82 -0.248 -5.584 15.695 1.00 0.00 C ATOM 1186 OG SER A 82 -1.311 -5.341 16.602 1.00 0.00 O ATOM 0 H SER A 82 0.761 -5.698 13.121 1.00 0.00 H new ATOM 0 HA SER A 82 -1.168 -7.265 14.736 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.519 -6.186 16.182 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.218 -4.639 15.414 1.00 0.00 H new ATOM 0 HG SER A 82 -1.672 -4.443 16.450 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.407 -4.615 12.841 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.324 -3.762 12.094 1.00 0.00 C ATOM 1194 C PHE A 83 -2.140 -3.986 10.596 1.00 0.00 C ATOM 1195 O PHE A 83 -1.151 -3.540 10.014 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.076 -2.291 12.434 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.928 -2.019 13.905 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.940 -2.351 14.793 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.775 -1.431 14.398 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.803 -2.099 16.145 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.632 -1.177 15.748 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.647 -1.511 16.623 1.00 0.00 C ATOM 0 H PHE A 83 -0.425 -4.489 12.595 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.346 -4.020 12.371 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.174 -1.957 11.921 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.902 -1.695 12.046 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.845 -2.811 14.424 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.022 -1.168 13.718 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.598 -2.361 16.827 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.272 -0.718 16.119 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.538 -1.313 17.679 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.092 -4.677 9.974 1.00 0.00 N ATOM 1213 CA VAL A 84 -3.007 -4.966 8.547 1.00 0.00 C ATOM 1214 C VAL A 84 -4.293 -4.595 7.815 1.00 0.00 C ATOM 1215 O VAL A 84 -5.388 -4.736 8.353 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.706 -6.461 8.304 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.839 -6.820 6.831 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.319 -6.817 8.818 1.00 0.00 C ATOM 0 H VAL A 84 -3.925 -5.045 10.433 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.192 -4.358 8.153 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.442 -7.044 8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.621 -7.879 6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.855 -6.613 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.136 -6.226 6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.125 -7.874 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.573 -6.217 8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.264 -6.615 9.888 1.00 0.00 H new ATOM 1228 N PHE A 85 -4.140 -4.111 6.586 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.275 -3.738 5.747 1.00 0.00 C ATOM 1230 C PHE A 85 -5.179 -4.462 4.408 1.00 0.00 C ATOM 1231 O PHE A 85 -4.150 -4.402 3.736 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.310 -2.226 5.512 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.894 -1.438 6.648 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.283 -1.422 7.891 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -7.055 -0.704 6.466 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.820 -0.688 8.931 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.594 0.032 7.500 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.977 0.042 8.735 1.00 0.00 C ATOM 0 H PHE A 85 -3.231 -3.967 6.145 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.192 -4.027 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.295 -1.875 5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.887 -2.024 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.378 -1.989 8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.544 -0.708 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.336 -0.685 9.896 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.499 0.601 7.344 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.397 0.619 9.546 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.249 -5.144 4.024 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.261 -5.889 2.771 1.00 0.00 C ATOM 1250 C ILE A 86 -6.975 -5.128 1.659 1.00 0.00 C ATOM 1251 O ILE A 86 -7.953 -4.420 1.898 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.947 -7.257 2.942 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.238 -8.086 4.012 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.978 -8.010 1.619 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -7.009 -9.325 4.412 1.00 0.00 C ATOM 0 H ILE A 86 -7.116 -5.198 4.558 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.217 -6.029 2.493 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.974 -7.085 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.255 -8.380 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.075 -7.467 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.467 -8.974 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.531 -7.428 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.959 -8.168 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.452 -9.870 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.982 -9.036 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.149 -9.964 3.540 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.467 -5.285 0.443 1.00 0.00 N ATOM 1268 CA LEU A 87 -7.057 -4.655 -0.728 1.00 0.00 C ATOM 1269 C LEU A 87 -7.750 -5.715 -1.576 1.00 0.00 C ATOM 1270 O LEU A 87 -7.162 -6.750 -1.892 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.987 -3.931 -1.546 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.457 -2.643 -0.914 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.273 -2.110 -1.701 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.558 -1.597 -0.840 1.00 0.00 C ATOM 0 H LEU A 87 -5.641 -5.848 0.243 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.791 -3.916 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.150 -4.611 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.398 -3.695 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.123 -2.869 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.910 -1.193 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.476 -2.854 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.582 -1.900 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.165 -0.686 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.919 -1.377 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.381 -1.977 -0.234 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.998 -5.453 -1.944 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.771 -6.402 -2.735 1.00 0.00 C ATOM 1288 C GLU A 88 -10.087 -5.828 -4.113 1.00 0.00 C ATOM 1289 O GLU A 88 -10.904 -4.917 -4.239 1.00 0.00 O ATOM 1290 CB GLU A 88 -11.062 -6.766 -2.000 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.829 -7.393 -0.634 1.00 0.00 C ATOM 1292 CD GLU A 88 -12.123 -7.737 0.078 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.664 -6.859 0.783 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.595 -8.883 -0.069 1.00 0.00 O ATOM 0 H GLU A 88 -9.495 -4.594 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.176 -7.305 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.667 -5.868 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.637 -7.458 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.231 -8.297 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.251 -6.706 -0.017 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.447 -6.361 -5.169 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.654 -5.886 -6.541 1.00 0.00 C ATOM 1303 C PRO A 89 -11.106 -5.992 -6.989 1.00 0.00 C ATOM 1304 O PRO A 89 -11.862 -6.831 -6.499 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.767 -6.806 -7.386 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.495 -7.990 -6.523 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.484 -7.474 -5.116 1.00 0.00 C ATOM 0 HA PRO A 89 -9.406 -4.829 -6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.269 -7.098 -8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.841 -6.306 -7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.262 -8.754 -6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.540 -8.450 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.789 -8.239 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.492 -7.136 -4.817 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.482 -5.130 -7.927 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.838 -5.114 -8.458 1.00 0.00 C ATOM 1317 C LYS A 90 -12.821 -5.287 -9.971 1.00 0.00 C ATOM 1318 O LYS A 90 -13.868 -5.256 -10.620 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.534 -3.800 -8.098 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.476 -3.464 -6.617 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.153 -2.134 -6.316 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.648 -2.189 -6.587 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.315 -0.892 -6.288 1.00 0.00 N ATOM 0 H LYS A 90 -10.863 -4.430 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.388 -5.943 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.075 -2.989 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.577 -3.855 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.959 -4.256 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.436 -3.425 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.982 -1.867 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.702 -1.350 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.818 -2.452 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.098 -2.976 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.333 -0.971 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.175 -0.652 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.904 -0.145 -6.883 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.627 -5.467 -10.530 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.483 -5.636 -11.973 1.00 0.00 C ATOM 1339 C GLN A 91 -12.280 -6.839 -12.464 1.00 0.00 C ATOM 1340 O GLN A 91 -13.129 -6.715 -13.347 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.008 -5.794 -12.351 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.103 -4.753 -11.712 1.00 0.00 C ATOM 1343 CD GLN A 91 -7.672 -4.840 -12.205 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -6.844 -5.541 -11.624 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -7.373 -4.124 -13.283 1.00 0.00 N ATOM 0 H GLN A 91 -10.750 -5.499 -10.009 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.877 -4.742 -12.456 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.670 -6.788 -12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.910 -5.733 -13.435 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.496 -3.758 -11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.118 -4.880 -10.629 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.091 -3.556 -13.733 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.426 -4.142 -13.660 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.003 -8.003 -11.884 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.697 -9.230 -12.263 1.00 0.00 C ATOM 1356 C GLN A 92 -12.363 -10.363 -11.296 1.00 0.00 C ATOM 1357 O GLN A 92 -13.170 -10.717 -10.436 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.321 -9.633 -13.690 1.00 0.00 C ATOM 1359 CG GLN A 92 -13.523 -9.855 -14.594 1.00 0.00 C ATOM 1360 CD GLN A 92 -13.132 -10.259 -16.003 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -13.858 -10.991 -16.675 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -11.979 -9.780 -16.460 1.00 0.00 N ATOM 0 H GLN A 92 -11.304 -8.123 -11.151 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.770 -9.042 -12.218 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.689 -8.858 -14.123 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.728 -10.547 -13.657 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.159 -10.628 -14.162 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.115 -8.941 -14.634 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.408 -9.176 -15.869 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.666 -10.016 -17.402 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.169 -10.928 -11.446 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.743 -12.013 -10.582 1.00 0.00 C ATOM 1373 C GLY A 93 -9.296 -11.871 -10.157 1.00 0.00 C ATOM 1374 O GLY A 93 -8.574 -12.860 -10.036 1.00 0.00 O ATOM 0 H GLY A 93 -10.487 -10.652 -12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.379 -12.042 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.876 -12.962 -11.101 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.874 -10.631 -9.930 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.504 -10.347 -9.521 1.00 0.00 C ATOM 1380 C ASP A 94 -7.275 -10.761 -8.067 1.00 0.00 C ATOM 1381 O ASP A 94 -8.228 -10.915 -7.303 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.207 -8.856 -9.696 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.154 -8.193 -10.674 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.287 -7.860 -10.269 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.766 -8.012 -11.847 1.00 0.00 O ATOM 0 H ASP A 94 -9.464 -9.804 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.828 -10.924 -10.152 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.279 -8.357 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.182 -8.730 -10.044 1.00 0.00 H new ATOM 1390 N PRO A 95 -6.003 -10.951 -7.668 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.655 -11.349 -6.304 1.00 0.00 C ATOM 1392 C PRO A 95 -5.585 -10.162 -5.342 1.00 0.00 C ATOM 1393 O PRO A 95 -5.351 -9.029 -5.764 1.00 0.00 O ATOM 1394 CB PRO A 95 -4.273 -11.968 -6.482 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.668 -11.204 -7.610 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.805 -10.804 -8.517 1.00 0.00 C ATOM 0 HA PRO A 95 -6.398 -12.017 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.676 -11.876 -5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.340 -13.031 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.138 -10.325 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.941 -11.814 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.691 -9.780 -8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.858 -11.444 -9.398 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.790 -10.407 -4.034 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.745 -9.358 -3.015 1.00 0.00 C ATOM 1406 C PRO A 96 -4.317 -9.030 -2.585 1.00 0.00 C ATOM 1407 O PRO A 96 -3.380 -9.760 -2.909 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.522 -9.974 -1.858 1.00 0.00 C ATOM 1409 CG PRO A 96 -6.268 -11.438 -1.974 1.00 0.00 C ATOM 1410 CD PRO A 96 -6.092 -11.728 -3.444 1.00 0.00 C ATOM 0 HA PRO A 96 -6.156 -8.414 -3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.179 -9.587 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.586 -9.749 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.378 -11.723 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.100 -12.010 -1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.283 -12.437 -3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.994 -12.162 -3.876 1.00 0.00 H new ATOM 1418 N VAL A 97 -4.157 -7.928 -1.856 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.840 -7.509 -1.384 1.00 0.00 C ATOM 1420 C VAL A 97 -2.901 -7.030 0.065 1.00 0.00 C ATOM 1421 O VAL A 97 -3.775 -6.246 0.433 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.259 -6.383 -2.261 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.844 -6.039 -1.823 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.288 -6.778 -3.731 1.00 0.00 C ATOM 0 H VAL A 97 -4.921 -7.311 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.190 -8.381 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.880 -5.496 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.451 -5.242 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.855 -5.707 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.210 -6.921 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.874 -5.970 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.694 -7.680 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.317 -6.967 -4.037 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.964 -7.503 0.883 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.913 -7.128 2.292 1.00 0.00 C ATOM 1436 C GLU A 98 -0.880 -6.029 2.536 1.00 0.00 C ATOM 1437 O GLU A 98 0.203 -6.039 1.949 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.574 -8.347 3.152 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.695 -9.369 3.244 1.00 0.00 C ATOM 1440 CD GLU A 98 -3.108 -9.914 1.890 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.440 -10.849 1.398 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -4.098 -9.408 1.323 1.00 0.00 O ATOM 0 H GLU A 98 -1.229 -8.148 0.593 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.896 -6.747 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.687 -8.831 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.319 -8.010 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.376 -10.194 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.559 -8.911 3.725 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.225 -5.086 3.406 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.332 -3.983 3.751 1.00 0.00 C ATOM 1451 C PHE A 99 -0.192 -3.868 5.269 1.00 0.00 C ATOM 1452 O PHE A 99 -1.049 -4.346 6.012 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.867 -2.663 3.193 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.647 -2.462 1.721 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.346 -3.212 0.789 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.247 -1.505 1.270 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.155 -3.011 -0.564 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.443 -1.301 -0.082 1.00 0.00 C ATOM 1459 CZ PHE A 99 -0.259 -2.056 -1.000 1.00 0.00 C ATOM 0 H PHE A 99 -2.123 -5.063 3.889 1.00 0.00 H new ATOM 0 HA PHE A 99 0.644 -4.188 3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.936 -2.606 3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.396 -1.841 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.048 -3.962 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.798 -0.911 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.707 -3.601 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.144 -0.552 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.107 -1.900 -2.058 1.00 0.00 H new ATOM 1469 N ALA A 100 0.884 -3.232 5.729 1.00 0.00 N ATOM 1470 CA ALA A 100 1.106 -3.063 7.163 1.00 0.00 C ATOM 1471 C ALA A 100 2.068 -1.914 7.461 1.00 0.00 C ATOM 1472 O ALA A 100 2.881 -1.535 6.618 1.00 0.00 O ATOM 1473 CB ALA A 100 1.631 -4.356 7.769 1.00 0.00 C ATOM 0 H ALA A 100 1.609 -2.829 5.136 1.00 0.00 H new ATOM 0 HA ALA A 100 0.146 -2.814 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.793 -4.217 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.904 -5.153 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.573 -4.625 7.292 1.00 0.00 H new ATOM 1479 N THR A 101 1.962 -1.366 8.670 1.00 0.00 N ATOM 1480 CA THR A 101 2.820 -0.266 9.100 1.00 0.00 C ATOM 1481 C THR A 101 3.555 -0.626 10.389 1.00 0.00 C ATOM 1482 O THR A 101 3.561 -1.783 10.808 1.00 0.00 O ATOM 1483 CB THR A 101 2.014 1.027 9.333 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.922 0.771 10.222 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.488 1.585 8.019 1.00 0.00 C ATOM 0 H THR A 101 1.286 -1.668 9.372 1.00 0.00 H new ATOM 0 HA THR A 101 3.539 -0.094 8.299 1.00 0.00 H new ATOM 0 HB THR A 101 2.679 1.766 9.780 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.212 0.917 11.147 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.923 2.497 8.211 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.325 1.809 7.358 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.839 0.849 7.545 1.00 0.00 H new ATOM 1493 N ASP A 102 4.174 0.373 11.015 1.00 0.00 N ATOM 1494 CA ASP A 102 4.908 0.158 12.257 1.00 0.00 C ATOM 1495 C ASP A 102 4.377 1.056 13.370 1.00 0.00 C ATOM 1496 O ASP A 102 4.825 0.972 14.514 1.00 0.00 O ATOM 1497 CB ASP A 102 6.400 0.420 12.044 1.00 0.00 C ATOM 1498 CG ASP A 102 7.006 -0.496 11.000 1.00 0.00 C ATOM 1499 OD1 ASP A 102 6.990 -0.126 9.807 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.496 -1.581 11.374 1.00 0.00 O ATOM 0 H ASP A 102 4.181 1.337 10.682 1.00 0.00 H new ATOM 0 HA ASP A 102 4.766 -0.881 12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.544 1.457 11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.927 0.288 12.989 1.00 0.00 H new ATOM 1505 N ARG A 103 3.420 1.914 13.029 1.00 0.00 N ATOM 1506 CA ARG A 103 2.830 2.829 14.002 1.00 0.00 C ATOM 1507 C ARG A 103 1.338 3.011 13.746 1.00 0.00 C ATOM 1508 O ARG A 103 0.809 2.548 12.736 1.00 0.00 O ATOM 1509 CB ARG A 103 3.529 4.188 13.953 1.00 0.00 C ATOM 1510 CG ARG A 103 5.022 4.121 14.232 1.00 0.00 C ATOM 1511 CD ARG A 103 5.659 5.499 14.184 1.00 0.00 C ATOM 1512 NE ARG A 103 5.085 6.403 15.177 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.350 7.705 15.231 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.177 8.254 14.353 1.00 0.00 N ATOM 1515 NH2 ARG A 103 4.786 8.459 16.165 1.00 0.00 N ATOM 0 H ARG A 103 3.037 1.995 12.087 1.00 0.00 H new ATOM 0 HA ARG A 103 2.964 2.393 14.992 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.372 4.631 12.970 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.062 4.852 14.680 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.190 3.675 15.212 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.501 3.472 13.500 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.732 5.408 14.354 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.529 5.924 13.189 1.00 0.00 H new ATOM 0 HE ARG A 103 4.444 6.014 15.869 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.612 7.678 13.633 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.378 9.253 14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.149 8.040 16.842 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.990 9.458 16.206 1.00 0.00 H new ATOM 1529 N VAL A 104 0.667 3.689 14.671 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.764 3.939 14.554 1.00 0.00 C ATOM 1531 C VAL A 104 -1.048 5.079 13.579 1.00 0.00 C ATOM 1532 O VAL A 104 -1.937 4.977 12.734 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.385 4.280 15.921 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -2.896 4.408 15.807 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -1.008 3.227 16.952 1.00 0.00 C ATOM 0 H VAL A 104 1.094 4.076 15.513 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.216 3.022 14.175 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.989 5.240 16.251 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.315 4.649 16.784 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.142 5.201 15.101 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.315 3.466 15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.455 3.482 17.913 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.375 2.253 16.628 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.077 3.190 17.054 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.288 6.164 13.701 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.462 7.323 12.831 1.00 0.00 C ATOM 1547 C GLU A 105 -0.119 6.977 11.387 1.00 0.00 C ATOM 1548 O GLU A 105 -0.858 7.330 10.472 1.00 0.00 O ATOM 1549 CB GLU A 105 0.407 8.486 13.313 1.00 0.00 C ATOM 1550 CG GLU A 105 0.089 8.938 14.729 1.00 0.00 C ATOM 1551 CD GLU A 105 0.977 10.075 15.192 1.00 0.00 C ATOM 1552 OE1 GLU A 105 0.612 11.247 14.964 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.041 9.794 15.784 1.00 0.00 O ATOM 0 H GLU A 105 0.454 6.265 14.394 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.509 7.622 12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.455 8.191 13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.280 9.329 12.634 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.953 9.252 14.780 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.201 8.094 15.410 1.00 0.00 H new ATOM 1560 N GLU A 106 1.006 6.298 11.185 1.00 0.00 N ATOM 1561 CA GLU A 106 1.418 5.902 9.840 1.00 0.00 C ATOM 1562 C GLU A 106 0.360 4.999 9.224 1.00 0.00 C ATOM 1563 O GLU A 106 0.107 5.049 8.021 1.00 0.00 O ATOM 1564 CB GLU A 106 2.763 5.174 9.879 1.00 0.00 C ATOM 1565 CG GLU A 106 3.858 5.948 10.592 1.00 0.00 C ATOM 1566 CD GLU A 106 4.118 7.304 9.966 1.00 0.00 C ATOM 1567 OE1 GLU A 106 4.957 7.382 9.045 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.483 8.290 10.399 1.00 0.00 O ATOM 0 H GLU A 106 1.645 6.012 11.927 1.00 0.00 H new ATOM 0 HA GLU A 106 1.528 6.800 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.630 4.212 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.083 4.967 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.581 6.082 11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.778 5.364 10.579 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.250 4.171 10.065 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.296 3.263 9.621 1.00 0.00 C ATOM 1577 C LEU A 107 -2.488 4.055 9.108 1.00 0.00 C ATOM 1578 O LEU A 107 -2.925 3.888 7.971 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.743 2.363 10.774 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.740 1.272 10.387 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.005 -0.013 10.060 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.751 1.039 11.497 1.00 0.00 C ATOM 0 H LEU A 107 -0.036 4.112 11.060 1.00 0.00 H new ATOM 0 HA LEU A 107 -0.898 2.643 8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.862 1.892 11.211 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.190 2.985 11.550 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.284 1.602 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.725 -0.784 9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.323 0.160 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.438 -0.340 10.932 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.449 0.258 11.196 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.231 0.731 12.404 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.300 1.961 11.689 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.000 4.925 9.967 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.141 5.762 9.635 1.00 0.00 C ATOM 1596 C PHE A 108 -3.818 6.725 8.499 1.00 0.00 C ATOM 1597 O PHE A 108 -4.700 7.136 7.766 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.588 6.551 10.867 1.00 0.00 C ATOM 1599 CG PHE A 108 -5.618 5.839 11.696 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -5.233 4.983 12.717 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -6.969 6.024 11.457 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -6.178 4.326 13.482 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -7.919 5.371 12.219 1.00 0.00 C ATOM 1604 CZ PHE A 108 -7.524 4.520 13.232 1.00 0.00 C ATOM 0 H PHE A 108 -2.637 5.069 10.909 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.948 5.107 9.305 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.717 6.763 11.488 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.992 7.511 10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.183 4.828 12.916 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.284 6.687 10.665 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.866 3.662 14.274 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.970 5.526 12.022 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.265 4.007 13.828 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.550 7.080 8.359 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.134 8.018 7.321 1.00 0.00 C ATOM 1616 C GLU A 109 -2.115 7.376 5.933 1.00 0.00 C ATOM 1617 O GLU A 109 -2.800 7.835 5.017 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.749 8.578 7.664 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.057 9.273 6.505 1.00 0.00 C ATOM 1620 CD GLU A 109 1.194 10.014 6.931 1.00 0.00 C ATOM 1621 OE1 GLU A 109 2.282 9.400 6.915 1.00 0.00 O ATOM 1622 OE2 GLU A 109 1.088 11.208 7.283 1.00 0.00 O ATOM 0 H GLU A 109 -1.791 6.736 8.948 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.865 8.826 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.848 9.283 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.116 7.763 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.203 8.534 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.750 9.975 6.041 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.340 6.309 5.787 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.215 5.620 4.505 1.00 0.00 C ATOM 1631 C TRP A 110 -2.507 4.918 4.094 1.00 0.00 C ATOM 1632 O TRP A 110 -2.882 4.936 2.922 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.074 4.604 4.564 1.00 0.00 C ATOM 1634 CG TRP A 110 1.235 5.153 4.089 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.318 5.479 4.854 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.597 5.445 2.735 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.333 5.953 4.058 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.914 5.942 2.753 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.937 5.333 1.508 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.580 6.325 1.594 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.602 5.714 0.358 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.911 6.204 0.408 1.00 0.00 C ATOM 0 H TRP A 110 -0.787 5.900 6.540 1.00 0.00 H new ATOM 0 HA TRP A 110 -0.999 6.379 3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 110 0.038 4.254 5.590 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.337 3.737 3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.369 5.379 5.928 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.248 6.262 4.385 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.074 4.956 1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.590 6.705 1.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.102 5.632 -0.596 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.403 6.493 -0.509 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.180 4.301 5.054 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.412 3.575 4.772 1.00 0.00 C ATOM 1655 C PHE A 111 -5.597 4.507 4.538 1.00 0.00 C ATOM 1656 O PHE A 111 -6.509 4.173 3.783 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.688 2.567 5.886 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.766 1.385 5.796 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.553 0.762 4.577 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -3.098 0.911 6.909 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.694 -0.308 4.470 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -2.237 -0.166 6.808 1.00 0.00 C ATOM 1663 CZ PHE A 111 -2.034 -0.773 5.588 1.00 0.00 C ATOM 0 H PHE A 111 -2.896 4.288 6.033 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.276 3.030 3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.568 3.051 6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.722 2.229 5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -4.068 1.121 3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.250 1.386 7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.537 -0.782 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.724 -0.531 7.685 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.359 -1.612 5.507 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.589 5.671 5.178 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.671 6.631 4.989 1.00 0.00 C ATOM 1675 C GLN A 112 -6.644 7.163 3.563 1.00 0.00 C ATOM 1676 O GLN A 112 -7.687 7.333 2.937 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.550 7.788 5.981 1.00 0.00 C ATOM 1678 CG GLN A 112 -7.734 8.732 5.975 1.00 0.00 C ATOM 1679 CD GLN A 112 -7.421 10.065 6.627 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.605 10.238 7.831 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -6.948 11.016 5.831 1.00 0.00 N ATOM 0 H GLN A 112 -4.857 5.970 5.823 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.619 6.124 5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.428 7.381 6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.646 8.354 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.054 8.901 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.569 8.264 6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.811 10.828 4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -6.721 11.934 6.213 1.00 0.00 H new ATOM 1690 N SER A 113 -5.439 7.422 3.054 1.00 0.00 N ATOM 1691 CA SER A 113 -5.276 7.924 1.692 1.00 0.00 C ATOM 1692 C SER A 113 -5.720 6.874 0.679 1.00 0.00 C ATOM 1693 O SER A 113 -6.470 7.179 -0.248 1.00 0.00 O ATOM 1694 CB SER A 113 -3.821 8.321 1.437 1.00 0.00 C ATOM 1695 OG SER A 113 -2.956 7.208 1.574 1.00 0.00 O ATOM 0 H SER A 113 -4.565 7.293 3.564 1.00 0.00 H new ATOM 0 HA SER A 113 -5.903 8.808 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.725 8.738 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.526 9.103 2.137 1.00 0.00 H new ATOM 0 HG SER A 113 -3.275 6.633 2.301 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.249 5.639 0.850 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.634 4.558 -0.051 1.00 0.00 C ATOM 1703 C ILE A 114 -7.155 4.461 -0.100 1.00 0.00 C ATOM 1704 O ILE A 114 -7.742 4.168 -1.141 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.044 3.196 0.385 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.515 3.205 0.255 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.645 2.067 -0.442 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.854 1.892 0.637 1.00 0.00 C ATOM 0 H ILE A 114 -4.608 5.366 1.595 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.233 4.789 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.298 3.029 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.250 3.447 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.112 3.999 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.219 1.116 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.725 2.047 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.421 2.229 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.774 1.980 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.087 1.656 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.226 1.096 -0.008 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.779 4.720 1.046 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.232 4.690 1.161 1.00 0.00 C ATOM 1722 C ARG A 115 -9.842 5.947 0.548 1.00 0.00 C ATOM 1723 O ARG A 115 -10.957 5.924 0.027 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.639 4.582 2.634 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.465 3.191 3.219 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.019 3.113 4.632 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.937 1.762 5.180 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.763 1.292 6.111 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.729 2.062 6.595 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.626 0.051 6.556 1.00 0.00 N ATOM 0 H ARG A 115 -7.296 4.954 1.913 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.604 3.820 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.047 5.288 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.682 4.881 2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.972 2.462 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.408 2.927 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.468 3.799 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.058 3.441 4.632 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.205 1.144 4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.840 3.017 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.361 1.699 7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.886 -0.545 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.260 -0.308 7.270 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.094 7.044 0.612 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.545 8.322 0.075 1.00 0.00 C ATOM 1746 C GLU A 116 -9.805 8.235 -1.427 1.00 0.00 C ATOM 1747 O GLU A 116 -10.529 9.058 -1.987 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.505 9.410 0.363 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.618 10.008 1.756 1.00 0.00 C ATOM 1750 CD GLU A 116 -7.576 11.079 2.017 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -7.826 12.249 1.657 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -6.512 10.749 2.581 1.00 0.00 O ATOM 0 H GLU A 116 -8.166 7.072 1.034 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.484 8.579 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.507 8.989 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.611 10.206 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.613 10.435 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.513 9.216 2.497 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.213 7.235 -2.072 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.380 7.051 -3.509 1.00 0.00 C ATOM 1761 C ILE A 117 -10.249 5.834 -3.823 1.00 0.00 C ATOM 1762 O ILE A 117 -10.967 5.817 -4.822 1.00 0.00 O ATOM 1763 CB ILE A 117 -8.016 6.899 -4.210 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -7.137 8.118 -3.918 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -8.205 6.723 -5.711 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.700 7.955 -4.365 1.00 0.00 C ATOM 0 H ILE A 117 -8.615 6.541 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.880 7.943 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.519 6.010 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.565 8.990 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.154 8.319 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.232 6.617 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.802 5.831 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.717 7.595 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.140 8.858 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.254 7.104 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.671 7.785 -5.441 1.00 0.00 H new ATOM 1778 N THR A 118 -10.183 4.819 -2.964 1.00 0.00 N ATOM 1779 CA THR A 118 -10.963 3.601 -3.164 1.00 0.00 C ATOM 1780 C THR A 118 -12.233 3.607 -2.319 1.00 0.00 C ATOM 1781 O THR A 118 -13.343 3.575 -2.848 1.00 0.00 O ATOM 1782 CB THR A 118 -10.141 2.345 -2.818 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.722 2.394 -1.449 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.923 2.226 -3.720 1.00 0.00 C ATOM 0 H THR A 118 -9.600 4.816 -2.127 1.00 0.00 H new ATOM 0 HA THR A 118 -11.234 3.575 -4.219 1.00 0.00 H new ATOM 0 HB THR A 118 -10.775 1.472 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.935 2.973 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.360 1.331 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.245 2.158 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.289 3.104 -3.594 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.056 3.647 -1.002 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.180 3.654 -0.071 1.00 0.00 C ATOM 1794 C TRP A 119 -14.146 4.794 -0.379 1.00 0.00 C ATOM 1795 O TRP A 119 -15.341 4.699 -0.097 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.661 3.770 1.364 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.737 3.936 2.390 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -13.912 5.001 3.222 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.786 3.009 2.696 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.002 4.795 4.030 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.557 3.579 3.725 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.146 1.752 2.201 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -16.667 2.937 4.268 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.249 1.116 2.739 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -16.999 1.709 3.762 1.00 0.00 C ATOM 0 H TRP A 119 -11.140 3.675 -0.553 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.725 2.717 -0.183 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.081 2.879 1.602 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.981 4.619 1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.284 5.879 3.243 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.344 5.441 4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.573 1.287 1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.245 3.391 5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.537 0.145 2.364 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.857 1.187 4.160 1.00 0.00 H new