USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 670 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 52 LYS NZ :NH3+ -174:sc= 0.147 (180deg=0) USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -0.439 F(o=-3.1,f=-0.29) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.19) USER MOD Single : A 28 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.832 (180deg=-1.35) USER MOD Single : A 35 ASN : amide:sc= -0.0587 K(o=-0.059,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 89:sc= 0.332 USER MOD Single : A 46 GLN : amide:sc=-0.000496 K(o=-0.0005,f=-1.8) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.2!) USER MOD Single : A 63 HIS : no HD1:sc= -0.0565 X(o=-0.056,f=-0.0029) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.495) USER MOD Single : A 83 MET CE :methyl -165:sc= -3.36 (180deg=-4.14) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -1.552 -1.971 8.018 1.00 0.00 N ATOM 152 CA TRP A 14 -0.449 -1.057 8.295 1.00 0.00 C ATOM 153 C TRP A 14 -0.825 -0.066 9.390 1.00 0.00 C ATOM 154 O TRP A 14 -0.024 0.223 10.278 1.00 0.00 O ATOM 155 CB TRP A 14 -0.052 -0.305 7.023 1.00 0.00 C ATOM 156 CG TRP A 14 -1.202 0.395 6.364 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.019 -0.107 5.393 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.659 1.726 6.627 1.00 0.00 C ATOM 159 NE1 TRP A 14 -2.958 0.831 5.036 1.00 0.00 N ATOM 160 CE2 TRP A 14 -2.759 1.964 5.780 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.249 2.739 7.498 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.449 3.173 5.778 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -1.935 3.939 7.495 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.026 4.147 6.641 1.00 0.00 C ATOM 0 HA TRP A 14 0.400 -1.646 8.641 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.718 0.427 7.267 1.00 0.00 H new ATOM 0 HB3 TRP A 14 0.389 -1.008 6.317 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -1.939 -1.096 4.967 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.685 0.704 4.332 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.411 2.587 8.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.289 3.336 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.625 4.730 8.162 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.543 5.095 6.664 1.00 0.00 H new ATOM 175 N GLU A 15 -2.047 0.451 9.321 1.00 0.00 N ATOM 176 CA GLU A 15 -2.527 1.411 10.309 1.00 0.00 C ATOM 177 C GLU A 15 -2.150 0.973 11.721 1.00 0.00 C ATOM 178 O GLU A 15 -2.018 1.799 12.625 1.00 0.00 O ATOM 179 CB GLU A 15 -4.045 1.571 10.201 1.00 0.00 C ATOM 180 CG GLU A 15 -4.501 2.184 8.887 1.00 0.00 C ATOM 181 CD GLU A 15 -5.879 1.710 8.469 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.667 1.324 9.357 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.168 1.724 7.254 1.00 0.00 O ATOM 0 H GLU A 15 -2.723 0.222 8.592 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.052 2.371 10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.514 0.594 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.396 2.194 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.507 3.270 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.783 1.935 8.106 1.00 0.00 H new ATOM 190 N LEU A 16 -1.979 -0.332 11.903 1.00 0.00 N ATOM 191 CA LEU A 16 -1.618 -0.881 13.206 1.00 0.00 C ATOM 192 C LEU A 16 -0.181 -0.520 13.569 1.00 0.00 C ATOM 193 O LEU A 16 0.117 -0.207 14.722 1.00 0.00 O ATOM 194 CB LEU A 16 -1.789 -2.401 13.205 1.00 0.00 C ATOM 195 CG LEU A 16 -3.222 -2.915 13.067 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.229 -4.355 12.577 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.960 -2.799 14.393 1.00 0.00 C ATOM 0 H LEU A 16 -2.084 -1.029 11.166 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.282 -0.447 13.953 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.196 -2.813 12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.371 -2.794 14.132 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.738 -2.299 12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.258 -4.703 12.485 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.739 -4.411 11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.695 -4.984 13.289 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.978 -3.169 14.276 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.444 -3.390 15.150 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.987 -1.755 14.704 1.00 0.00 H new ATOM 209 N GLN A 17 0.704 -0.564 12.579 1.00 0.00 N ATOM 210 CA GLN A 17 2.109 -0.240 12.795 1.00 0.00 C ATOM 211 C GLN A 17 2.316 1.270 12.852 1.00 0.00 C ATOM 212 O GLN A 17 3.119 1.766 13.643 1.00 0.00 O ATOM 213 CB GLN A 17 2.970 -0.843 11.684 1.00 0.00 C ATOM 214 CG GLN A 17 2.997 -2.363 11.693 1.00 0.00 C ATOM 215 CD GLN A 17 4.032 -2.923 12.648 1.00 0.00 C ATOM 216 OE1 GLN A 17 3.852 -2.890 13.866 1.00 0.00 O ATOM 217 NE2 GLN A 17 5.125 -3.442 12.100 1.00 0.00 N ATOM 0 H GLN A 17 0.473 -0.821 11.619 1.00 0.00 H new ATOM 0 HA GLN A 17 2.412 -0.667 13.751 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.596 -0.500 10.719 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.989 -0.469 11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.012 -2.738 11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.204 -2.725 10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.233 -3.449 11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.856 -3.834 12.693 1.00 0.00 H new ATOM 226 N ILE A 18 1.588 1.995 12.009 1.00 0.00 N ATOM 227 CA ILE A 18 1.693 3.448 11.965 1.00 0.00 C ATOM 228 C ILE A 18 1.081 4.081 13.210 1.00 0.00 C ATOM 229 O ILE A 18 0.018 3.667 13.672 1.00 0.00 O ATOM 230 CB ILE A 18 0.999 4.025 10.717 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.604 5.382 10.352 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.498 4.152 10.954 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.869 6.090 9.236 1.00 0.00 C ATOM 0 H ILE A 18 0.919 1.600 11.348 1.00 0.00 H new ATOM 0 HA ILE A 18 2.756 3.686 11.923 1.00 0.00 H new ATOM 0 HB ILE A 18 1.157 3.342 9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.606 6.019 11.236 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.644 5.240 10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.974 4.561 10.063 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.917 3.169 11.170 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.677 4.817 11.799 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.353 7.045 9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.889 5.472 8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.165 6.264 9.534 1.00 0.00 H new ATOM 245 N SER A 19 1.760 5.089 13.749 1.00 0.00 N ATOM 246 CA SER A 19 1.285 5.779 14.943 1.00 0.00 C ATOM 247 C SER A 19 -0.133 6.303 14.739 1.00 0.00 C ATOM 248 O SER A 19 -0.612 6.451 13.614 1.00 0.00 O ATOM 249 CB SER A 19 2.222 6.936 15.296 1.00 0.00 C ATOM 250 OG SER A 19 3.253 6.508 16.169 1.00 0.00 O ATOM 0 H SER A 19 2.641 5.446 13.378 1.00 0.00 H new ATOM 0 HA SER A 19 1.275 5.064 15.766 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.659 7.345 14.385 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.653 7.739 15.765 1.00 0.00 H new ATOM 0 HG SER A 19 3.839 7.265 16.378 1.00 0.00 H new ATOM 256 N PRO A 20 -0.823 6.591 15.853 1.00 0.00 N ATOM 257 CA PRO A 20 -2.196 7.103 15.824 1.00 0.00 C ATOM 258 C PRO A 20 -2.271 8.530 15.292 1.00 0.00 C ATOM 259 O PRO A 20 -3.232 8.900 14.617 1.00 0.00 O ATOM 260 CB PRO A 20 -2.623 7.057 17.293 1.00 0.00 C ATOM 261 CG PRO A 20 -1.349 7.143 18.061 1.00 0.00 C ATOM 262 CD PRO A 20 -0.315 6.438 17.227 1.00 0.00 C ATOM 0 HA PRO A 20 -2.835 6.519 15.162 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.289 7.884 17.538 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.161 6.137 17.520 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.068 8.182 18.236 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.450 6.671 19.039 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.671 6.889 17.344 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.221 5.389 17.506 1.00 0.00 H new ATOM 270 N GLU A 21 -1.252 9.326 15.599 1.00 0.00 N ATOM 271 CA GLU A 21 -1.204 10.713 15.151 1.00 0.00 C ATOM 272 C GLU A 21 -0.822 10.795 13.676 1.00 0.00 C ATOM 273 O GLU A 21 -1.110 11.785 13.002 1.00 0.00 O ATOM 274 CB GLU A 21 -0.206 11.510 15.993 1.00 0.00 C ATOM 275 CG GLU A 21 -0.634 11.685 17.440 1.00 0.00 C ATOM 276 CD GLU A 21 0.096 12.820 18.132 1.00 0.00 C ATOM 277 OE1 GLU A 21 1.285 12.642 18.471 1.00 0.00 O ATOM 278 OE2 GLU A 21 -0.522 13.887 18.333 1.00 0.00 O ATOM 0 H GLU A 21 -0.449 9.034 16.156 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.198 11.143 15.276 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.761 11.008 15.967 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.067 12.493 15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.707 11.872 17.477 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.453 10.757 17.983 1.00 0.00 H new ATOM 285 N LEU A 22 -0.171 9.748 13.180 1.00 0.00 N ATOM 286 CA LEU A 22 0.252 9.701 11.785 1.00 0.00 C ATOM 287 C LEU A 22 -0.937 9.449 10.864 1.00 0.00 C ATOM 288 O LEU A 22 -1.025 10.020 9.776 1.00 0.00 O ATOM 289 CB LEU A 22 1.305 8.609 11.588 1.00 0.00 C ATOM 290 CG LEU A 22 2.757 9.026 11.826 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.352 9.634 10.565 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.847 10.006 12.987 1.00 0.00 C ATOM 0 H LEU A 22 0.075 8.921 13.723 1.00 0.00 H new ATOM 0 HA LEU A 22 0.687 10.667 11.530 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.071 7.782 12.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.219 8.229 10.570 1.00 0.00 H new ATOM 0 HG LEU A 22 3.333 8.137 12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.385 9.925 10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.323 8.901 9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.775 10.513 10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.887 10.292 13.142 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.257 10.894 12.760 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.462 9.535 13.891 1.00 0.00 H new ATOM 304 N LEU A 23 -1.851 8.593 11.307 1.00 0.00 N ATOM 305 CA LEU A 23 -3.037 8.267 10.523 1.00 0.00 C ATOM 306 C LEU A 23 -3.908 9.501 10.314 1.00 0.00 C ATOM 307 O LEU A 23 -4.182 9.895 9.181 1.00 0.00 O ATOM 308 CB LEU A 23 -3.845 7.170 11.217 1.00 0.00 C ATOM 309 CG LEU A 23 -5.228 6.881 10.631 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.101 6.230 9.262 1.00 0.00 C ATOM 311 CD2 LEU A 23 -6.032 5.996 11.572 1.00 0.00 C ATOM 0 H LEU A 23 -1.794 8.112 12.205 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.710 7.907 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.263 6.249 11.194 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.967 7.444 12.265 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.757 7.827 10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.094 6.031 8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.564 6.899 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.553 5.292 9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.013 5.801 11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.507 5.052 11.721 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.153 6.500 12.531 1.00 0.00 H new ATOM 323 N ALA A 24 -4.338 10.109 11.415 1.00 0.00 N ATOM 324 CA ALA A 24 -5.174 11.301 11.353 1.00 0.00 C ATOM 325 C ALA A 24 -4.458 12.437 10.629 1.00 0.00 C ATOM 326 O ALA A 24 -5.033 13.093 9.761 1.00 0.00 O ATOM 327 CB ALA A 24 -5.577 11.737 12.754 1.00 0.00 C ATOM 0 H ALA A 24 -4.121 9.795 12.361 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.073 11.055 10.788 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.201 12.628 12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.136 10.936 13.238 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.683 11.960 13.337 1.00 0.00 H new ATOM 333 N HIS A 25 -3.200 12.664 10.993 1.00 0.00 N ATOM 334 CA HIS A 25 -2.405 13.721 10.378 1.00 0.00 C ATOM 335 C HIS A 25 -2.314 13.524 8.868 1.00 0.00 C ATOM 336 O HIS A 25 -2.403 14.481 8.101 1.00 0.00 O ATOM 337 CB HIS A 25 -1.002 13.752 10.985 1.00 0.00 C ATOM 338 CG HIS A 25 -0.042 14.618 10.230 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.349 15.896 9.812 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.227 14.384 9.819 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.688 16.410 9.175 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.658 15.513 9.166 1.00 0.00 N ATOM 0 H HIS A 25 -2.709 12.130 11.711 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.899 14.673 10.574 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.068 14.107 12.013 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.609 12.736 11.023 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.794 13.478 9.975 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.735 17.396 8.736 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.578 15.638 8.743 1.00 0.00 H new ATOM 351 N GLY A 26 -2.137 12.275 8.448 1.00 0.00 N ATOM 352 CA GLY A 26 -2.036 11.975 7.032 1.00 0.00 C ATOM 353 C GLY A 26 -3.371 12.081 6.321 1.00 0.00 C ATOM 354 O GLY A 26 -3.493 12.783 5.317 1.00 0.00 O ATOM 0 H GLY A 26 -2.062 11.465 9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.325 12.659 6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.639 10.968 6.904 1.00 0.00 H new ATOM 358 N ARG A 27 -4.374 11.381 6.841 1.00 0.00 N ATOM 359 CA ARG A 27 -5.705 11.397 6.247 1.00 0.00 C ATOM 360 C ARG A 27 -6.160 12.828 5.972 1.00 0.00 C ATOM 361 O ARG A 27 -6.477 13.180 4.836 1.00 0.00 O ATOM 362 CB ARG A 27 -6.707 10.701 7.170 1.00 0.00 C ATOM 363 CG ARG A 27 -6.719 9.188 7.024 1.00 0.00 C ATOM 364 CD ARG A 27 -7.783 8.552 7.905 1.00 0.00 C ATOM 365 NE ARG A 27 -9.076 8.473 7.230 1.00 0.00 N ATOM 366 CZ ARG A 27 -10.140 7.870 7.749 1.00 0.00 C ATOM 367 NH1 ARG A 27 -10.066 7.297 8.942 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.282 7.840 7.074 1.00 0.00 N ATOM 0 H ARG A 27 -4.290 10.796 7.672 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.660 10.859 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.474 10.956 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.706 11.086 6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.901 8.923 5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.740 8.788 7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.463 7.551 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.888 9.131 8.823 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.167 8.904 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.190 7.318 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.885 6.835 9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.343 8.280 6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.098 7.377 7.473 1.00 0.00 H new ATOM 382 N GLN A 28 -6.191 13.645 7.019 1.00 0.00 N ATOM 383 CA GLN A 28 -6.609 15.036 6.890 1.00 0.00 C ATOM 384 C GLN A 28 -5.849 15.730 5.764 1.00 0.00 C ATOM 385 O GLN A 28 -6.448 16.373 4.901 1.00 0.00 O ATOM 386 CB GLN A 28 -6.386 15.782 8.206 1.00 0.00 C ATOM 387 CG GLN A 28 -7.303 16.981 8.390 1.00 0.00 C ATOM 388 CD GLN A 28 -8.678 16.591 8.896 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.946 16.638 10.097 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.559 16.203 7.981 1.00 0.00 N ATOM 0 H GLN A 28 -5.932 13.368 7.966 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.672 15.049 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.535 15.091 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.350 16.117 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.846 17.679 9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.405 17.505 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.294 16.179 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.500 15.929 8.263 1.00 0.00 H new ATOM 399 N LYS A 29 -4.528 15.596 5.778 1.00 0.00 N ATOM 400 CA LYS A 29 -3.685 16.209 4.758 1.00 0.00 C ATOM 401 C LYS A 29 -4.154 15.820 3.359 1.00 0.00 C ATOM 402 O LYS A 29 -4.209 16.658 2.458 1.00 0.00 O ATOM 403 CB LYS A 29 -2.226 15.790 4.953 1.00 0.00 C ATOM 404 CG LYS A 29 -1.447 16.712 5.875 1.00 0.00 C ATOM 405 CD LYS A 29 0.028 16.747 5.512 1.00 0.00 C ATOM 406 CE LYS A 29 0.319 17.806 4.460 1.00 0.00 C ATOM 407 NZ LYS A 29 -0.185 17.406 3.117 1.00 0.00 N ATOM 0 H LYS A 29 -4.017 15.068 6.485 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.762 17.291 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.198 14.778 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.732 15.759 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.861 17.719 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.561 16.378 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.619 16.949 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.335 15.770 5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.143 18.748 4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.394 17.980 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.244 18.014 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.068 16.414 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.219 17.510 3.089 1.00 0.00 H new ATOM 421 N ILE A 30 -4.491 14.547 3.186 1.00 0.00 N ATOM 422 CA ILE A 30 -4.958 14.049 1.898 1.00 0.00 C ATOM 423 C ILE A 30 -6.340 14.600 1.564 1.00 0.00 C ATOM 424 O ILE A 30 -6.584 15.059 0.447 1.00 0.00 O ATOM 425 CB ILE A 30 -5.011 12.510 1.875 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.600 11.928 1.972 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.705 12.023 0.612 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.574 10.418 2.063 1.00 0.00 C ATOM 0 H ILE A 30 -4.450 13.841 3.921 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.243 14.390 1.149 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.585 12.168 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.026 12.241 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.103 12.345 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.735 10.933 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.722 12.414 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.156 12.372 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.541 10.075 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.120 10.098 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.042 9.992 1.175 1.00 0.00 H new ATOM 440 N LEU A 31 -7.241 14.552 2.539 1.00 0.00 N ATOM 441 CA LEU A 31 -8.600 15.048 2.349 1.00 0.00 C ATOM 442 C LEU A 31 -8.589 16.470 1.798 1.00 0.00 C ATOM 443 O LEU A 31 -9.232 16.761 0.789 1.00 0.00 O ATOM 444 CB LEU A 31 -9.367 15.008 3.672 1.00 0.00 C ATOM 445 CG LEU A 31 -10.819 15.487 3.621 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.698 14.453 2.935 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.333 15.781 5.022 1.00 0.00 C ATOM 0 H LEU A 31 -7.056 14.175 3.468 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.099 14.402 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.356 13.984 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.830 15.617 4.399 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.857 16.409 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.727 14.811 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.343 14.291 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.655 13.514 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.367 16.121 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.280 14.875 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.720 16.558 5.479 1.00 0.00 H new ATOM 459 N ASP A 32 -7.852 17.352 2.464 1.00 0.00 N ATOM 460 CA ASP A 32 -7.754 18.744 2.039 1.00 0.00 C ATOM 461 C ASP A 32 -7.319 18.836 0.580 1.00 0.00 C ATOM 462 O ASP A 32 -7.884 19.606 -0.199 1.00 0.00 O ATOM 463 CB ASP A 32 -6.766 19.502 2.927 1.00 0.00 C ATOM 464 CG ASP A 32 -6.888 21.006 2.775 1.00 0.00 C ATOM 465 OD1 ASP A 32 -6.556 21.521 1.687 1.00 0.00 O ATOM 466 OD2 ASP A 32 -7.315 21.667 3.744 1.00 0.00 O ATOM 0 H ASP A 32 -7.313 17.128 3.301 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.740 19.199 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.935 19.230 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.750 19.196 2.679 1.00 0.00 H new ATOM 471 N LEU A 33 -6.313 18.049 0.216 1.00 0.00 N ATOM 472 CA LEU A 33 -5.802 18.042 -1.150 1.00 0.00 C ATOM 473 C LEU A 33 -6.866 17.553 -2.128 1.00 0.00 C ATOM 474 O LEU A 33 -6.876 17.942 -3.296 1.00 0.00 O ATOM 475 CB LEU A 33 -4.559 17.156 -1.246 1.00 0.00 C ATOM 476 CG LEU A 33 -4.042 16.875 -2.657 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.668 18.173 -3.357 1.00 0.00 C ATOM 478 CD2 LEU A 33 -2.850 15.930 -2.611 1.00 0.00 C ATOM 0 H LEU A 33 -5.835 17.407 0.848 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.533 19.064 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.758 17.625 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.779 16.203 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.839 16.395 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.302 17.953 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.545 18.816 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.888 18.681 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.496 15.742 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.050 16.382 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.150 14.989 -2.151 1.00 0.00 H new ATOM 490 N LEU A 34 -7.761 16.701 -1.641 1.00 0.00 N ATOM 491 CA LEU A 34 -8.832 16.160 -2.471 1.00 0.00 C ATOM 492 C LEU A 34 -9.909 17.210 -2.723 1.00 0.00 C ATOM 493 O LEU A 34 -10.583 17.187 -3.752 1.00 0.00 O ATOM 494 CB LEU A 34 -9.449 14.929 -1.804 1.00 0.00 C ATOM 495 CG LEU A 34 -8.520 13.728 -1.621 1.00 0.00 C ATOM 496 CD1 LEU A 34 -8.922 12.925 -0.393 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.533 12.849 -2.863 1.00 0.00 C ATOM 0 H LEU A 34 -7.767 16.370 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.403 15.869 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.828 15.223 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.308 14.612 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.505 14.097 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.250 12.074 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.860 13.558 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.944 12.566 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.866 12.000 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.546 12.488 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.196 13.429 -3.722 1.00 0.00 H new ATOM 509 N ASN A 35 -10.064 18.130 -1.777 1.00 0.00 N ATOM 510 CA ASN A 35 -11.058 19.190 -1.897 1.00 0.00 C ATOM 511 C ASN A 35 -10.477 20.402 -2.619 1.00 0.00 C ATOM 512 O ASN A 35 -11.007 20.841 -3.639 1.00 0.00 O ATOM 513 CB ASN A 35 -11.565 19.602 -0.513 1.00 0.00 C ATOM 514 CG ASN A 35 -12.685 18.708 -0.018 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.579 18.336 -0.777 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.641 18.359 1.263 1.00 0.00 N ATOM 0 H ASN A 35 -9.514 18.163 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.893 18.806 -2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.739 19.572 0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.916 20.633 -0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.368 17.759 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.880 18.691 1.856 1.00 0.00 H new ATOM 523 N GLU A 36 -9.384 20.936 -2.083 1.00 0.00 N ATOM 524 CA GLU A 36 -8.732 22.097 -2.677 1.00 0.00 C ATOM 525 C GLU A 36 -8.013 21.715 -3.968 1.00 0.00 C ATOM 526 O GLU A 36 -8.045 22.455 -4.951 1.00 0.00 O ATOM 527 CB GLU A 36 -7.738 22.711 -1.689 1.00 0.00 C ATOM 528 CG GLU A 36 -8.388 23.245 -0.424 1.00 0.00 C ATOM 529 CD GLU A 36 -7.515 24.250 0.302 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.739 24.958 -0.374 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.607 24.329 1.544 1.00 0.00 O ATOM 0 H GLU A 36 -8.932 20.583 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.500 22.833 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.997 21.959 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.202 23.522 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.339 23.713 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.611 22.413 0.244 1.00 0.00 H new ATOM 538 N GLY A 37 -7.363 20.555 -3.956 1.00 0.00 N ATOM 539 CA GLY A 37 -6.645 20.095 -5.131 1.00 0.00 C ATOM 540 C GLY A 37 -7.574 19.613 -6.227 1.00 0.00 C ATOM 541 O GLY A 37 -8.538 18.895 -5.962 1.00 0.00 O ATOM 0 H GLY A 37 -7.321 19.926 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.025 20.906 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.972 19.286 -4.848 1.00 0.00 H new ATOM 545 N SER A 38 -7.285 20.010 -7.462 1.00 0.00 N ATOM 546 CA SER A 38 -8.106 19.619 -8.602 1.00 0.00 C ATOM 547 C SER A 38 -7.587 18.328 -9.227 1.00 0.00 C ATOM 548 O SER A 38 -6.545 17.808 -8.829 1.00 0.00 O ATOM 549 CB SER A 38 -8.126 20.734 -9.650 1.00 0.00 C ATOM 550 OG SER A 38 -8.561 21.958 -9.084 1.00 0.00 O ATOM 0 H SER A 38 -6.489 20.602 -7.699 1.00 0.00 H new ATOM 0 HA SER A 38 -9.122 19.447 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.129 20.859 -10.072 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.786 20.454 -10.471 1.00 0.00 H new ATOM 0 HG SER A 38 -8.563 22.655 -9.773 1.00 0.00 H new ATOM 556 N ALA A 39 -8.322 17.815 -10.209 1.00 0.00 N ATOM 557 CA ALA A 39 -7.936 16.586 -10.891 1.00 0.00 C ATOM 558 C ALA A 39 -6.426 16.525 -11.099 1.00 0.00 C ATOM 559 O ALA A 39 -5.775 15.557 -10.705 1.00 0.00 O ATOM 560 CB ALA A 39 -8.659 16.474 -12.225 1.00 0.00 C ATOM 0 H ALA A 39 -9.188 18.232 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.224 15.744 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.361 15.552 -12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.736 16.464 -12.056 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.398 17.326 -12.853 1.00 0.00 H new ATOM 566 N ARG A 40 -5.876 17.563 -11.720 1.00 0.00 N ATOM 567 CA ARG A 40 -4.443 17.625 -11.981 1.00 0.00 C ATOM 568 C ARG A 40 -3.647 17.460 -10.690 1.00 0.00 C ATOM 569 O ARG A 40 -2.692 16.685 -10.632 1.00 0.00 O ATOM 570 CB ARG A 40 -4.082 18.953 -12.649 1.00 0.00 C ATOM 571 CG ARG A 40 -2.880 18.863 -13.575 1.00 0.00 C ATOM 572 CD ARG A 40 -3.238 18.186 -14.888 1.00 0.00 C ATOM 573 NE ARG A 40 -3.820 19.123 -15.846 1.00 0.00 N ATOM 574 CZ ARG A 40 -4.074 18.816 -17.113 1.00 0.00 C ATOM 575 NH1 ARG A 40 -3.801 17.602 -17.572 1.00 0.00 N ATOM 576 NH2 ARG A 40 -4.604 19.723 -17.923 1.00 0.00 N ATOM 0 H ARG A 40 -6.401 18.372 -12.052 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.186 16.806 -12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.941 19.310 -13.217 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.880 19.695 -11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.496 19.864 -13.773 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.082 18.307 -13.084 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.344 17.735 -15.319 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.943 17.377 -14.698 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.044 20.065 -15.524 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.395 16.902 -16.952 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.997 17.369 -18.545 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.817 20.657 -17.573 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.799 19.486 -18.896 1.00 0.00 H new ATOM 590 N ASP A 41 -4.047 18.193 -9.657 1.00 0.00 N ATOM 591 CA ASP A 41 -3.372 18.128 -8.366 1.00 0.00 C ATOM 592 C ASP A 41 -3.335 16.695 -7.843 1.00 0.00 C ATOM 593 O ASP A 41 -2.282 16.193 -7.451 1.00 0.00 O ATOM 594 CB ASP A 41 -4.072 19.036 -7.353 1.00 0.00 C ATOM 595 CG ASP A 41 -3.840 20.507 -7.637 1.00 0.00 C ATOM 596 OD1 ASP A 41 -3.814 20.885 -8.827 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.684 21.280 -6.669 1.00 0.00 O ATOM 0 H ASP A 41 -4.835 18.839 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.347 18.472 -8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.143 18.831 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.714 18.801 -6.351 1.00 0.00 H new ATOM 602 N LEU A 42 -4.493 16.043 -7.840 1.00 0.00 N ATOM 603 CA LEU A 42 -4.594 14.667 -7.365 1.00 0.00 C ATOM 604 C LEU A 42 -3.589 13.769 -8.079 1.00 0.00 C ATOM 605 O LEU A 42 -2.879 12.989 -7.444 1.00 0.00 O ATOM 606 CB LEU A 42 -6.012 14.136 -7.580 1.00 0.00 C ATOM 607 CG LEU A 42 -7.147 15.034 -7.086 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.497 14.442 -7.459 1.00 0.00 C ATOM 609 CD2 LEU A 42 -7.050 15.238 -5.581 1.00 0.00 C ATOM 0 H LEU A 42 -5.374 16.444 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.367 14.659 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.154 13.958 -8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.096 13.170 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.053 16.006 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.292 15.095 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.566 14.349 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.601 13.458 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.866 15.879 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.118 14.273 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.097 15.707 -5.338 1.00 0.00 H new ATOM 621 N ARG A 43 -3.533 13.886 -9.401 1.00 0.00 N ATOM 622 CA ARG A 43 -2.614 13.085 -10.201 1.00 0.00 C ATOM 623 C ARG A 43 -1.246 12.996 -9.531 1.00 0.00 C ATOM 624 O ARG A 43 -0.581 11.962 -9.591 1.00 0.00 O ATOM 625 CB ARG A 43 -2.470 13.683 -11.602 1.00 0.00 C ATOM 626 CG ARG A 43 -3.773 13.724 -12.384 1.00 0.00 C ATOM 627 CD ARG A 43 -3.526 13.643 -13.882 1.00 0.00 C ATOM 628 NE ARG A 43 -2.602 14.677 -14.341 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.918 14.599 -15.477 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.053 13.542 -16.265 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.097 15.581 -15.827 1.00 0.00 N ATOM 0 H ARG A 43 -4.113 14.528 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.025 12.079 -10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.075 14.695 -11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.738 13.102 -12.162 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.411 12.896 -12.074 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.309 14.644 -12.152 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.124 12.661 -14.130 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.474 13.742 -14.412 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.475 15.504 -13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.684 12.785 -16.000 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.526 13.485 -17.137 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.991 16.396 -15.224 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.572 15.520 -16.699 1.00 0.00 H new ATOM 645 N SER A 44 -0.833 14.086 -8.893 1.00 0.00 N ATOM 646 CA SER A 44 0.457 14.133 -8.215 1.00 0.00 C ATOM 647 C SER A 44 0.600 12.970 -7.239 1.00 0.00 C ATOM 648 O SER A 44 1.613 12.269 -7.233 1.00 0.00 O ATOM 649 CB SER A 44 0.619 15.460 -7.472 1.00 0.00 C ATOM 650 OG SER A 44 0.435 16.560 -8.347 1.00 0.00 O ATOM 0 H SER A 44 -1.373 14.949 -8.831 1.00 0.00 H new ATOM 0 HA SER A 44 1.239 14.050 -8.970 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.103 15.515 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.611 15.510 -7.023 1.00 0.00 H new ATOM 0 HG SER A 44 -0.513 16.806 -8.369 1.00 0.00 H new ATOM 656 N LEU A 45 -0.422 12.769 -6.414 1.00 0.00 N ATOM 657 CA LEU A 45 -0.412 11.690 -5.432 1.00 0.00 C ATOM 658 C LEU A 45 -0.199 10.340 -6.108 1.00 0.00 C ATOM 659 O LEU A 45 -0.393 10.203 -7.316 1.00 0.00 O ATOM 660 CB LEU A 45 -1.724 11.679 -4.645 1.00 0.00 C ATOM 661 CG LEU A 45 -2.006 12.915 -3.791 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.484 12.996 -3.441 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.157 12.896 -2.529 1.00 0.00 C ATOM 0 H LEU A 45 -1.268 13.339 -6.406 1.00 0.00 H new ATOM 0 HA LEU A 45 0.416 11.865 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.546 11.554 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.727 10.804 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.742 13.801 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.666 13.882 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.072 13.057 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.775 12.106 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.371 13.783 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.389 12.004 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.101 12.887 -2.801 1.00 0.00 H new ATOM 675 N GLN A 46 0.198 9.346 -5.321 1.00 0.00 N ATOM 676 CA GLN A 46 0.436 8.006 -5.844 1.00 0.00 C ATOM 677 C GLN A 46 -0.815 7.143 -5.718 1.00 0.00 C ATOM 678 O GLN A 46 -1.679 7.403 -4.881 1.00 0.00 O ATOM 679 CB GLN A 46 1.602 7.346 -5.105 1.00 0.00 C ATOM 680 CG GLN A 46 2.913 8.103 -5.238 1.00 0.00 C ATOM 681 CD GLN A 46 3.632 7.801 -6.538 1.00 0.00 C ATOM 682 OE1 GLN A 46 3.040 7.273 -7.480 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.916 8.134 -6.596 1.00 0.00 N ATOM 0 H GLN A 46 0.362 9.443 -4.319 1.00 0.00 H new ATOM 0 HA GLN A 46 0.689 8.095 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.348 7.258 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.736 6.334 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.718 9.174 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.562 7.848 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.367 8.570 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.452 7.954 -7.445 1.00 0.00 H new ATOM 692 N ARG A 47 -0.905 6.114 -6.555 1.00 0.00 N ATOM 693 CA ARG A 47 -2.051 5.213 -6.538 1.00 0.00 C ATOM 694 C ARG A 47 -3.335 5.960 -6.890 1.00 0.00 C ATOM 695 O ARG A 47 -4.394 5.696 -6.320 1.00 0.00 O ATOM 696 CB ARG A 47 -2.191 4.557 -5.163 1.00 0.00 C ATOM 697 CG ARG A 47 -0.896 3.959 -4.640 1.00 0.00 C ATOM 698 CD ARG A 47 -0.558 2.656 -5.347 1.00 0.00 C ATOM 699 NE ARG A 47 0.006 2.883 -6.674 1.00 0.00 N ATOM 700 CZ ARG A 47 -0.030 1.985 -7.652 1.00 0.00 C ATOM 701 NH1 ARG A 47 -0.602 0.806 -7.452 1.00 0.00 N ATOM 702 NH2 ARG A 47 0.505 2.266 -8.833 1.00 0.00 N ATOM 0 H ARG A 47 -0.198 5.884 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.884 4.439 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.553 5.299 -4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.947 3.774 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.083 4.671 -4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.983 3.781 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.152 2.090 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.458 2.047 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 47 0.452 3.781 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.016 0.587 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.629 0.118 -8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.945 3.173 -8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.477 1.575 -9.583 1.00 0.00 H new ATOM 716 N ILE A 48 -3.231 6.893 -7.830 1.00 0.00 N ATOM 717 CA ILE A 48 -4.384 7.677 -8.258 1.00 0.00 C ATOM 718 C ILE A 48 -4.516 7.677 -9.777 1.00 0.00 C ATOM 719 O ILE A 48 -5.447 7.093 -10.329 1.00 0.00 O ATOM 720 CB ILE A 48 -4.289 9.132 -7.762 1.00 0.00 C ATOM 721 CG1 ILE A 48 -4.182 9.168 -6.236 1.00 0.00 C ATOM 722 CG2 ILE A 48 -5.496 9.931 -8.232 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.319 8.460 -5.533 1.00 0.00 C ATOM 0 H ILE A 48 -2.361 7.125 -8.310 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.265 7.208 -7.820 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.391 9.585 -8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.239 8.711 -5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.152 10.207 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.415 10.957 -7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.532 9.929 -9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.407 9.480 -7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.177 8.526 -4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.264 8.931 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.336 7.412 -5.833 1.00 0.00 H new ATOM 735 N GLY A 49 -3.574 8.334 -10.448 1.00 0.00 N ATOM 736 CA GLY A 49 -3.603 8.396 -11.897 1.00 0.00 C ATOM 737 C GLY A 49 -4.606 9.407 -12.415 1.00 0.00 C ATOM 738 O GLY A 49 -5.391 9.979 -11.657 1.00 0.00 O ATOM 0 H GLY A 49 -2.792 8.824 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.610 8.652 -12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.847 7.411 -12.295 1.00 0.00 H new ATOM 742 N PRO A 50 -4.589 9.641 -13.735 1.00 0.00 N ATOM 743 CA PRO A 50 -5.498 10.592 -14.383 1.00 0.00 C ATOM 744 C PRO A 50 -6.941 10.101 -14.390 1.00 0.00 C ATOM 745 O PRO A 50 -7.872 10.879 -14.602 1.00 0.00 O ATOM 746 CB PRO A 50 -4.957 10.683 -15.812 1.00 0.00 C ATOM 747 CG PRO A 50 -4.251 9.390 -16.033 1.00 0.00 C ATOM 748 CD PRO A 50 -3.681 8.996 -14.698 1.00 0.00 C ATOM 0 HA PRO A 50 -5.526 11.549 -13.862 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.763 10.822 -16.532 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.279 11.529 -15.925 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.937 8.629 -16.404 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.462 9.498 -16.778 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.665 7.913 -14.572 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.656 9.346 -14.580 1.00 0.00 H new ATOM 756 N LYS A 51 -7.122 8.806 -14.157 1.00 0.00 N ATOM 757 CA LYS A 51 -8.453 8.210 -14.134 1.00 0.00 C ATOM 758 C LYS A 51 -9.195 8.585 -12.856 1.00 0.00 C ATOM 759 O LYS A 51 -10.201 9.294 -12.895 1.00 0.00 O ATOM 760 CB LYS A 51 -8.354 6.687 -14.251 1.00 0.00 C ATOM 761 CG LYS A 51 -9.605 6.039 -14.818 1.00 0.00 C ATOM 762 CD LYS A 51 -9.505 5.854 -16.323 1.00 0.00 C ATOM 763 CE LYS A 51 -10.159 7.006 -17.070 1.00 0.00 C ATOM 764 NZ LYS A 51 -9.495 7.268 -18.377 1.00 0.00 N ATOM 0 H LYS A 51 -6.363 8.148 -13.981 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.013 8.598 -14.985 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.504 6.434 -14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.152 6.267 -13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.762 5.071 -14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.473 6.655 -14.583 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.457 5.779 -16.613 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.982 4.916 -16.608 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.212 6.779 -17.237 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.120 7.906 -16.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.970 8.060 -18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.496 7.509 -18.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.555 6.418 -18.973 1.00 0.00 H new ATOM 778 N LYS A 52 -8.693 8.107 -11.723 1.00 0.00 N ATOM 779 CA LYS A 52 -9.306 8.394 -10.432 1.00 0.00 C ATOM 780 C LYS A 52 -9.370 9.897 -10.182 1.00 0.00 C ATOM 781 O LYS A 52 -10.373 10.412 -9.687 1.00 0.00 O ATOM 782 CB LYS A 52 -8.521 7.713 -9.308 1.00 0.00 C ATOM 783 CG LYS A 52 -8.678 6.202 -9.286 1.00 0.00 C ATOM 784 CD LYS A 52 -7.566 5.538 -8.492 1.00 0.00 C ATOM 785 CE LYS A 52 -7.702 4.023 -8.502 1.00 0.00 C ATOM 786 NZ LYS A 52 -6.634 3.365 -7.700 1.00 0.00 N ATOM 0 H LYS A 52 -7.862 7.518 -11.673 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.323 8.002 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.464 7.959 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.848 8.118 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.643 5.942 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.676 5.820 -10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.600 5.820 -8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.586 5.899 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.678 3.743 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.660 3.661 -9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.700 2.333 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.703 3.691 -8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.752 3.611 -6.696 1.00 0.00 H new ATOM 800 N ALA A 53 -8.295 10.597 -10.529 1.00 0.00 N ATOM 801 CA ALA A 53 -8.231 12.041 -10.346 1.00 0.00 C ATOM 802 C ALA A 53 -9.540 12.706 -10.761 1.00 0.00 C ATOM 803 O ALA A 53 -10.184 13.381 -9.959 1.00 0.00 O ATOM 804 CB ALA A 53 -7.068 12.623 -11.137 1.00 0.00 C ATOM 0 H ALA A 53 -7.456 10.187 -10.939 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.072 12.241 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.033 13.703 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.134 12.179 -10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.203 12.405 -12.196 1.00 0.00 H new ATOM 810 N GLN A 54 -9.925 12.510 -12.018 1.00 0.00 N ATOM 811 CA GLN A 54 -11.157 13.092 -12.538 1.00 0.00 C ATOM 812 C GLN A 54 -12.370 12.571 -11.775 1.00 0.00 C ATOM 813 O GLN A 54 -13.178 13.350 -11.266 1.00 0.00 O ATOM 814 CB GLN A 54 -11.304 12.778 -14.028 1.00 0.00 C ATOM 815 CG GLN A 54 -10.195 13.367 -14.886 1.00 0.00 C ATOM 816 CD GLN A 54 -10.451 14.814 -15.258 1.00 0.00 C ATOM 817 OE1 GLN A 54 -9.666 15.701 -14.921 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.553 15.061 -15.956 1.00 0.00 N ATOM 0 H GLN A 54 -9.402 11.953 -12.694 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.103 14.172 -12.404 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.321 11.697 -14.163 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.264 13.158 -14.378 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.249 13.296 -14.349 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.091 12.775 -15.795 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.176 14.295 -16.214 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.777 16.016 -16.234 1.00 0.00 H new ATOM 827 N LEU A 55 -12.492 11.251 -11.699 1.00 0.00 N ATOM 828 CA LEU A 55 -13.608 10.625 -10.997 1.00 0.00 C ATOM 829 C LEU A 55 -13.907 11.354 -9.691 1.00 0.00 C ATOM 830 O LEU A 55 -15.067 11.592 -9.353 1.00 0.00 O ATOM 831 CB LEU A 55 -13.298 9.154 -10.714 1.00 0.00 C ATOM 832 CG LEU A 55 -13.148 8.252 -11.940 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.616 6.886 -11.535 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.478 8.115 -12.667 1.00 0.00 C ATOM 0 H LEU A 55 -11.833 10.593 -12.114 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.488 10.688 -11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.376 9.103 -10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.092 8.750 -10.086 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.431 8.711 -12.620 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.516 6.258 -12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.642 7.001 -11.059 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.309 6.419 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.353 7.470 -13.537 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.217 7.678 -11.995 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.819 9.098 -12.991 1.00 0.00 H new ATOM 846 N ILE A 56 -12.854 11.707 -8.962 1.00 0.00 N ATOM 847 CA ILE A 56 -13.005 12.412 -7.695 1.00 0.00 C ATOM 848 C ILE A 56 -13.563 13.814 -7.909 1.00 0.00 C ATOM 849 O ILE A 56 -14.560 14.198 -7.295 1.00 0.00 O ATOM 850 CB ILE A 56 -11.663 12.514 -6.945 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.024 11.131 -6.807 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.868 13.147 -5.577 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.515 11.171 -6.699 1.00 0.00 C ATOM 0 H ILE A 56 -11.888 11.517 -9.227 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.706 11.833 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.989 13.149 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.431 10.638 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.303 10.523 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.911 13.212 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.284 14.147 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.556 12.536 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.130 10.156 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.098 11.635 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.228 11.751 -5.822 1.00 0.00 H new ATOM 865 N VAL A 57 -12.916 14.576 -8.785 1.00 0.00 N ATOM 866 CA VAL A 57 -13.349 15.936 -9.083 1.00 0.00 C ATOM 867 C VAL A 57 -14.829 15.974 -9.445 1.00 0.00 C ATOM 868 O VAL A 57 -15.636 16.583 -8.744 1.00 0.00 O ATOM 869 CB VAL A 57 -12.533 16.544 -10.238 1.00 0.00 C ATOM 870 CG1 VAL A 57 -13.087 17.907 -10.624 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.064 16.645 -9.857 1.00 0.00 C ATOM 0 H VAL A 57 -12.090 14.274 -9.301 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.183 16.526 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.616 15.887 -11.103 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.497 18.321 -11.442 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.124 17.801 -10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.037 18.577 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.502 17.077 -10.685 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.959 17.280 -8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.676 15.651 -9.635 1.00 0.00 H new ATOM 881 N GLY A 58 -15.181 15.316 -10.546 1.00 0.00 N ATOM 882 CA GLY A 58 -16.564 15.287 -10.983 1.00 0.00 C ATOM 883 C GLY A 58 -17.527 15.021 -9.843 1.00 0.00 C ATOM 884 O GLY A 58 -18.663 15.495 -9.858 1.00 0.00 O ATOM 0 H GLY A 58 -14.532 14.803 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.814 16.239 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.685 14.516 -11.744 1.00 0.00 H new ATOM 888 N TRP A 59 -17.073 14.261 -8.853 1.00 0.00 N ATOM 889 CA TRP A 59 -17.904 13.932 -7.700 1.00 0.00 C ATOM 890 C TRP A 59 -18.194 15.174 -6.866 1.00 0.00 C ATOM 891 O TRP A 59 -19.338 15.621 -6.779 1.00 0.00 O ATOM 892 CB TRP A 59 -17.217 12.872 -6.837 1.00 0.00 C ATOM 893 CG TRP A 59 -18.154 12.169 -5.902 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.523 12.577 -4.652 1.00 0.00 C ATOM 895 CD2 TRP A 59 -18.838 10.934 -6.142 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.396 11.670 -4.100 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.606 10.654 -4.995 1.00 0.00 C ATOM 898 CE3 TRP A 59 -18.879 10.040 -7.215 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.403 9.517 -4.892 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -19.670 8.911 -7.111 1.00 0.00 C ATOM 901 CH2 TRP A 59 -20.423 8.658 -5.958 1.00 0.00 C ATOM 0 H TRP A 59 -16.135 13.861 -8.825 1.00 0.00 H new ATOM 0 HA TRP A 59 -18.850 13.535 -8.067 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -16.743 12.136 -7.487 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.423 13.344 -6.258 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.179 13.479 -4.168 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -19.819 11.742 -3.175 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.303 10.228 -8.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -20.984 9.320 -4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -19.708 8.212 -7.933 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.032 7.767 -5.909 1.00 0.00 H new ATOM 912 N ARG A 60 -17.152 15.728 -6.254 1.00 0.00 N ATOM 913 CA ARG A 60 -17.297 16.919 -5.425 1.00 0.00 C ATOM 914 C ARG A 60 -17.948 18.052 -6.212 1.00 0.00 C ATOM 915 O ARG A 60 -18.689 18.861 -5.654 1.00 0.00 O ATOM 916 CB ARG A 60 -15.933 17.368 -4.898 1.00 0.00 C ATOM 917 CG ARG A 60 -14.911 17.624 -5.994 1.00 0.00 C ATOM 918 CD ARG A 60 -13.585 18.098 -5.419 1.00 0.00 C ATOM 919 NE ARG A 60 -13.552 19.547 -5.241 1.00 0.00 N ATOM 920 CZ ARG A 60 -13.992 20.165 -4.151 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.496 19.462 -3.145 1.00 0.00 N ATOM 922 NH2 ARG A 60 -13.928 21.487 -4.064 1.00 0.00 N ATOM 0 H ARG A 60 -16.198 15.371 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.940 16.669 -4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.061 18.278 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.545 16.606 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.754 16.710 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.297 18.373 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.411 17.611 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.774 17.796 -6.081 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.170 20.116 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.546 18.445 -3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.833 19.938 -2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.540 22.031 -4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.266 21.960 -3.226 1.00 0.00 H new ATOM 936 N GLU A 61 -17.666 18.104 -7.510 1.00 0.00 N ATOM 937 CA GLU A 61 -18.224 19.139 -8.372 1.00 0.00 C ATOM 938 C GLU A 61 -19.717 19.316 -8.113 1.00 0.00 C ATOM 939 O GLU A 61 -20.215 20.439 -8.025 1.00 0.00 O ATOM 940 CB GLU A 61 -17.988 18.791 -9.843 1.00 0.00 C ATOM 941 CG GLU A 61 -16.673 19.321 -10.391 1.00 0.00 C ATOM 942 CD GLU A 61 -16.676 19.440 -11.902 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.801 18.398 -12.579 1.00 0.00 O ATOM 944 OE2 GLU A 61 -16.553 20.575 -12.408 1.00 0.00 O ATOM 0 H GLU A 61 -17.055 17.442 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.719 20.078 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -18.010 17.707 -9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.808 19.192 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.469 20.298 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.863 18.659 -10.084 1.00 0.00 H new ATOM 951 N LEU A 62 -20.427 18.200 -7.993 1.00 0.00 N ATOM 952 CA LEU A 62 -21.864 18.230 -7.745 1.00 0.00 C ATOM 953 C LEU A 62 -22.170 17.941 -6.279 1.00 0.00 C ATOM 954 O LEU A 62 -22.781 18.757 -5.589 1.00 0.00 O ATOM 955 CB LEU A 62 -22.577 17.212 -8.637 1.00 0.00 C ATOM 956 CG LEU A 62 -22.715 17.591 -10.112 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.724 16.346 -10.985 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.977 18.411 -10.336 1.00 0.00 C ATOM 0 H LEU A 62 -20.031 17.263 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.228 19.230 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -22.040 16.266 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.574 17.040 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.855 18.200 -10.393 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.823 16.636 -12.031 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.792 15.798 -10.847 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.564 15.710 -10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -24.059 18.672 -11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.848 17.827 -10.038 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.929 19.322 -9.740 1.00 0.00 H new ATOM 970 N HIS A 63 -21.739 16.775 -5.809 1.00 0.00 N ATOM 971 CA HIS A 63 -21.964 16.379 -4.423 1.00 0.00 C ATOM 972 C HIS A 63 -21.482 17.462 -3.463 1.00 0.00 C ATOM 973 O HIS A 63 -22.207 17.872 -2.558 1.00 0.00 O ATOM 974 CB HIS A 63 -21.249 15.061 -4.124 1.00 0.00 C ATOM 975 CG HIS A 63 -21.852 13.881 -4.821 1.00 0.00 C ATOM 976 ND1 HIS A 63 -22.507 12.867 -4.154 1.00 0.00 N ATOM 977 CD2 HIS A 63 -21.898 13.556 -6.134 1.00 0.00 C ATOM 978 CE1 HIS A 63 -22.928 11.969 -5.027 1.00 0.00 C ATOM 979 NE2 HIS A 63 -22.572 12.364 -6.236 1.00 0.00 N ATOM 0 H HIS A 63 -21.232 16.088 -6.367 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.036 16.243 -4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.203 15.150 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.265 14.884 -3.049 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.482 14.128 -6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -23.471 11.065 -4.792 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -22.766 11.865 -7.104 1.00 0.00 H new ATOM 988 N GLY A 64 -20.251 17.922 -3.668 1.00 0.00 N ATOM 989 CA GLY A 64 -19.693 18.953 -2.813 1.00 0.00 C ATOM 990 C GLY A 64 -18.404 18.517 -2.144 1.00 0.00 C ATOM 991 O GLY A 64 -17.698 17.632 -2.627 1.00 0.00 O ATOM 0 H GLY A 64 -19.631 17.599 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.507 19.849 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.423 19.221 -2.049 1.00 0.00 H new ATOM 995 N PRO A 65 -18.082 19.147 -1.004 1.00 0.00 N ATOM 996 CA PRO A 65 -16.867 18.836 -0.244 1.00 0.00 C ATOM 997 C PRO A 65 -16.934 17.464 0.418 1.00 0.00 C ATOM 998 O PRO A 65 -17.992 17.038 0.881 1.00 0.00 O ATOM 999 CB PRO A 65 -16.820 19.940 0.815 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.237 20.367 0.981 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.878 20.211 -0.370 1.00 0.00 C ATOM 0 HA PRO A 65 -15.984 18.801 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.405 19.571 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.191 20.770 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.744 19.755 1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.296 21.400 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.928 19.932 -0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.839 21.138 -0.943 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.797 16.777 0.461 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.726 15.453 1.066 1.00 0.00 C ATOM 1011 C PHE A 66 -15.616 15.554 2.585 1.00 0.00 C ATOM 1012 O PHE A 66 -14.576 15.940 3.118 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.532 14.676 0.508 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.603 14.453 -0.976 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.436 13.480 -1.504 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.838 15.217 -1.842 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.503 13.272 -2.869 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -13.900 15.014 -3.208 1.00 0.00 C ATOM 1019 CZ PHE A 66 -14.735 14.041 -3.722 1.00 0.00 C ATOM 0 H PHE A 66 -14.912 17.116 0.084 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.644 14.920 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.615 15.217 0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.470 13.710 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.040 12.877 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.185 15.980 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.155 12.509 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.297 15.615 -3.872 1.00 0.00 H new ATOM 0 HZ PHE A 66 -14.787 13.882 -4.789 1.00 0.00 H new ATOM 1029 N SER A 67 -16.697 15.205 3.275 1.00 0.00 N ATOM 1030 CA SER A 67 -16.724 15.261 4.732 1.00 0.00 C ATOM 1031 C SER A 67 -15.493 14.582 5.325 1.00 0.00 C ATOM 1032 O SER A 67 -14.993 14.987 6.374 1.00 0.00 O ATOM 1033 CB SER A 67 -17.994 14.595 5.266 1.00 0.00 C ATOM 1034 OG SER A 67 -19.093 15.488 5.225 1.00 0.00 O ATOM 0 H SER A 67 -17.565 14.881 2.849 1.00 0.00 H new ATOM 0 HA SER A 67 -16.719 16.309 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.220 13.708 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.830 14.261 6.291 1.00 0.00 H new ATOM 0 HG SER A 67 -19.893 15.039 5.570 1.00 0.00 H new ATOM 1040 N GLN A 68 -15.011 13.547 4.645 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.839 12.810 5.104 1.00 0.00 C ATOM 1042 C GLN A 68 -13.273 11.937 3.989 1.00 0.00 C ATOM 1043 O GLN A 68 -13.943 11.679 2.988 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.196 11.946 6.314 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.216 10.862 6.008 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.067 10.504 7.211 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -15.625 10.621 8.354 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -17.295 10.065 6.959 1.00 0.00 N ATOM 0 H GLN A 68 -15.414 13.200 3.775 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.077 13.533 5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.288 11.481 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.585 12.587 7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.863 11.196 5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.698 9.970 5.656 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.620 9.984 5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.913 9.809 7.729 1.00 0.00 H new ATOM 1057 N VAL A 69 -12.036 11.485 4.168 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.380 10.639 3.177 1.00 0.00 C ATOM 1059 C VAL A 69 -12.184 9.370 2.920 1.00 0.00 C ATOM 1060 O VAL A 69 -12.165 8.825 1.817 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.958 10.252 3.623 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.252 9.464 2.531 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.161 11.493 3.997 1.00 0.00 C ATOM 0 H VAL A 69 -11.468 11.690 4.990 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.318 11.219 2.256 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.033 9.617 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.248 9.199 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.815 8.555 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.186 10.072 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.159 11.201 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.093 12.156 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.659 12.013 4.815 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.889 8.904 3.946 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.700 7.697 3.831 1.00 0.00 C ATOM 1075 C GLU A 70 -14.586 7.754 2.590 1.00 0.00 C ATOM 1076 O GLU A 70 -14.967 6.722 2.038 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.563 7.515 5.080 1.00 0.00 C ATOM 1078 CG GLU A 70 -15.053 6.090 5.278 1.00 0.00 C ATOM 1079 CD GLU A 70 -15.838 5.917 6.564 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -17.066 6.148 6.545 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -15.226 5.551 7.589 1.00 0.00 O ATOM 0 H GLU A 70 -12.915 9.344 4.866 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.027 6.845 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.989 7.818 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.424 8.181 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.679 5.804 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.198 5.413 5.284 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.911 8.968 2.158 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.753 9.161 0.982 1.00 0.00 C ATOM 1090 C ASP A 71 -15.176 8.428 -0.225 1.00 0.00 C ATOM 1091 O ASP A 71 -15.903 7.769 -0.970 1.00 0.00 O ATOM 1092 CB ASP A 71 -15.895 10.651 0.670 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.175 10.966 -0.079 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.295 10.550 -1.250 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.057 11.630 0.506 1.00 0.00 O ATOM 0 H ASP A 71 -14.605 9.833 2.604 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.738 8.748 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.873 11.218 1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.041 10.978 0.077 1.00 0.00 H new ATOM 1100 N LEU A 72 -13.867 8.548 -0.413 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.192 7.897 -1.531 1.00 0.00 C ATOM 1102 C LEU A 72 -13.712 6.477 -1.730 1.00 0.00 C ATOM 1103 O LEU A 72 -13.620 5.920 -2.823 1.00 0.00 O ATOM 1104 CB LEU A 72 -11.681 7.871 -1.295 1.00 0.00 C ATOM 1105 CG LEU A 72 -10.946 9.195 -1.503 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.444 9.001 -1.358 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.280 9.783 -2.866 1.00 0.00 C ATOM 0 H LEU A 72 -13.251 9.090 0.194 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.403 8.470 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.499 7.534 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.242 7.127 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.277 9.896 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.938 9.954 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.220 8.626 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.096 8.284 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.748 10.725 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.979 9.085 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.353 9.961 -2.933 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.260 5.899 -0.665 1.00 0.00 N ATOM 1120 CA GLU A 73 -14.796 4.544 -0.724 1.00 0.00 C ATOM 1121 C GLU A 73 -16.096 4.508 -1.522 1.00 0.00 C ATOM 1122 O GLU A 73 -16.281 3.654 -2.389 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.036 4.005 0.688 1.00 0.00 C ATOM 1124 CG GLU A 73 -15.800 2.692 0.716 1.00 0.00 C ATOM 1125 CD GLU A 73 -15.559 1.904 1.990 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -14.517 2.130 2.639 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -16.413 1.062 2.336 1.00 0.00 O ATOM 0 H GLU A 73 -14.344 6.347 0.247 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.064 3.912 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.075 3.867 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.587 4.749 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.866 2.894 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.507 2.087 -0.142 1.00 0.00 H new ATOM 1134 N ARG A 74 -16.994 5.440 -1.221 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.278 5.514 -1.909 1.00 0.00 C ATOM 1136 C ARG A 74 -18.107 6.065 -3.321 1.00 0.00 C ATOM 1137 O ARG A 74 -18.950 5.844 -4.191 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.252 6.392 -1.121 1.00 0.00 C ATOM 1139 CG ARG A 74 -18.937 7.877 -1.203 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.083 8.720 -0.669 1.00 0.00 C ATOM 1141 NE ARG A 74 -20.523 8.273 0.650 1.00 0.00 N ATOM 1142 CZ ARG A 74 -21.316 8.987 1.442 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -21.754 10.175 1.049 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -21.672 8.512 2.628 1.00 0.00 N ATOM 0 H ARG A 74 -16.857 6.154 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.684 4.505 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.263 6.223 -1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.241 6.084 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.032 8.090 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.735 8.150 -2.239 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.770 9.763 -0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.921 8.675 -1.365 1.00 0.00 H new ATOM 0 HE ARG A 74 -20.204 7.363 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.482 10.543 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.363 10.721 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.337 7.598 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.281 9.061 3.235 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.012 6.784 -3.542 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.730 7.367 -4.849 1.00 0.00 C ATOM 1160 C VAL A 75 -16.706 6.296 -5.934 1.00 0.00 C ATOM 1161 O VAL A 75 -16.277 5.168 -5.697 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.383 8.114 -4.851 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -14.970 8.465 -6.273 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.467 9.364 -3.988 1.00 0.00 C ATOM 0 H VAL A 75 -16.305 6.977 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.531 8.076 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.622 7.458 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.016 8.992 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.869 7.551 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.729 9.103 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.507 9.880 -4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.240 10.026 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.715 9.083 -2.964 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.171 6.659 -7.126 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.203 5.728 -8.248 1.00 0.00 C ATOM 1176 C GLU A 76 -15.793 5.287 -8.630 1.00 0.00 C ATOM 1177 O GLU A 76 -14.857 6.086 -8.620 1.00 0.00 O ATOM 1178 CB GLU A 76 -17.892 6.372 -9.453 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.150 7.578 -10.006 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.817 8.158 -11.238 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -18.399 7.377 -12.020 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -17.756 9.392 -11.421 1.00 0.00 O ATOM 0 H GLU A 76 -17.530 7.590 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.769 4.848 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.997 5.627 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.899 6.676 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.088 8.346 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.128 7.290 -10.252 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.650 4.009 -8.965 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.351 3.482 -9.344 1.00 0.00 C ATOM 1191 C GLY A 77 -13.455 3.233 -8.148 1.00 0.00 C ATOM 1192 O GLY A 77 -12.915 2.138 -7.986 1.00 0.00 O ATOM 0 H GLY A 77 -16.410 3.329 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.487 2.550 -9.893 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.862 4.182 -10.021 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.294 4.250 -7.309 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.455 4.135 -6.122 1.00 0.00 C ATOM 1198 C ILE A 78 -13.187 3.405 -5.001 1.00 0.00 C ATOM 1199 O ILE A 78 -13.967 4.004 -4.259 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.008 5.518 -5.612 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.292 6.288 -6.723 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.105 5.368 -4.397 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.272 7.785 -6.505 1.00 0.00 C ATOM 0 H ILE A 78 -13.733 5.163 -7.429 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.574 3.562 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.892 6.083 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.267 5.927 -6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.779 6.074 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.797 6.354 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.646 4.855 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.223 4.788 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.748 8.266 -7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.295 8.159 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.759 8.010 -5.570 1.00 0.00 H new ATOM 1215 N THR A 79 -12.929 2.106 -4.881 1.00 0.00 N ATOM 1216 CA THR A 79 -13.562 1.293 -3.850 1.00 0.00 C ATOM 1217 C THR A 79 -12.822 1.415 -2.522 1.00 0.00 C ATOM 1218 O THR A 79 -11.707 1.930 -2.467 1.00 0.00 O ATOM 1219 CB THR A 79 -13.618 -0.190 -4.260 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.393 -0.932 -3.311 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.218 -0.780 -4.350 1.00 0.00 C ATOM 0 H THR A 79 -12.286 1.595 -5.485 1.00 0.00 H new ATOM 0 HA THR A 79 -14.579 1.668 -3.732 1.00 0.00 H new ATOM 0 HB THR A 79 -14.087 -0.255 -5.242 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.425 -1.874 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.283 -1.828 -4.641 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.639 -0.232 -5.094 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.728 -0.703 -3.380 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.451 0.935 -1.453 1.00 0.00 N ATOM 1230 CA GLY A 80 -12.837 1.000 -0.140 1.00 0.00 C ATOM 1231 C GLY A 80 -11.390 0.547 -0.155 1.00 0.00 C ATOM 1232 O GLY A 80 -10.524 1.190 0.440 1.00 0.00 O ATOM 0 H GLY A 80 -14.375 0.502 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.891 2.023 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.402 0.378 0.554 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.126 -0.563 -0.834 1.00 0.00 N ATOM 1237 CA LYS A 81 -9.774 -1.102 -0.924 1.00 0.00 C ATOM 1238 C LYS A 81 -8.878 -0.190 -1.756 1.00 0.00 C ATOM 1239 O LYS A 81 -7.727 0.058 -1.398 1.00 0.00 O ATOM 1240 CB LYS A 81 -9.802 -2.504 -1.537 1.00 0.00 C ATOM 1241 CG LYS A 81 -8.655 -3.390 -1.081 1.00 0.00 C ATOM 1242 CD LYS A 81 -7.402 -3.149 -1.906 1.00 0.00 C ATOM 1243 CE LYS A 81 -6.180 -3.785 -1.262 1.00 0.00 C ATOM 1244 NZ LYS A 81 -5.615 -2.931 -0.180 1.00 0.00 N ATOM 0 H LYS A 81 -11.831 -1.108 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.366 -1.161 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.746 -2.985 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.774 -2.417 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.442 -3.198 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.949 -4.437 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.540 -3.557 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.239 -2.077 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.450 -4.758 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.418 -3.959 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.586 -3.074 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.815 -1.932 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.048 -3.191 0.729 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.415 0.307 -2.866 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.663 1.192 -3.747 1.00 0.00 C ATOM 1260 C GLN A 82 -8.226 2.453 -3.008 1.00 0.00 C ATOM 1261 O GLN A 82 -7.066 2.857 -3.085 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.507 1.569 -4.967 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.569 0.478 -6.024 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.399 0.530 -6.986 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -8.552 1.290 -8.064 1.00 0.00 O flip ATOM 1266 NE2 GLN A 82 -7.368 -0.105 -6.762 1.00 0.00 N flip ATOM 0 H GLN A 82 -10.367 0.112 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.772 0.660 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.520 1.804 -4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.099 2.475 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.589 -0.496 -5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.499 0.573 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.294 -0.677 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.588 -0.059 -7.418 1.00 0.00 H new ATOM 1275 N MET A 83 -9.161 3.068 -2.293 1.00 0.00 N ATOM 1276 CA MET A 83 -8.871 4.283 -1.539 1.00 0.00 C ATOM 1277 C MET A 83 -7.981 3.977 -0.338 1.00 0.00 C ATOM 1278 O MET A 83 -7.304 4.862 0.184 1.00 0.00 O ATOM 1279 CB MET A 83 -10.170 4.942 -1.072 1.00 0.00 C ATOM 1280 CG MET A 83 -10.880 4.171 0.029 1.00 0.00 C ATOM 1281 SD MET A 83 -11.838 5.241 1.119 1.00 0.00 S ATOM 1282 CE MET A 83 -10.537 6.228 1.854 1.00 0.00 C ATOM 0 H MET A 83 -10.126 2.746 -2.219 1.00 0.00 H new ATOM 0 HA MET A 83 -8.340 4.971 -2.197 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.950 5.948 -0.716 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.842 5.045 -1.924 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.542 3.430 -0.420 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.143 3.625 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.924 6.745 2.732 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.711 5.580 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.182 6.960 1.129 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.989 2.720 0.094 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.183 2.300 1.234 1.00 0.00 C ATOM 1294 C GLU A 84 -5.713 2.174 0.845 1.00 0.00 C ATOM 1295 O GLU A 84 -4.842 2.797 1.453 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.692 0.967 1.784 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.857 1.111 2.748 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.414 1.503 4.144 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -8.019 0.603 4.915 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -8.461 2.708 4.466 1.00 0.00 O ATOM 0 H GLU A 84 -8.544 1.975 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.272 3.062 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.997 0.333 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.873 0.456 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.549 1.862 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.403 0.169 2.795 1.00 0.00 H new ATOM 1307 N SER A 85 -5.444 1.363 -0.174 1.00 0.00 N ATOM 1308 CA SER A 85 -4.080 1.151 -0.642 1.00 0.00 C ATOM 1309 C SER A 85 -3.416 2.477 -1.002 1.00 0.00 C ATOM 1310 O SER A 85 -2.197 2.620 -0.906 1.00 0.00 O ATOM 1311 CB SER A 85 -4.074 0.219 -1.856 1.00 0.00 C ATOM 1312 OG SER A 85 -2.796 -0.363 -2.046 1.00 0.00 O ATOM 0 H SER A 85 -6.153 0.842 -0.691 1.00 0.00 H new ATOM 0 HA SER A 85 -3.513 0.688 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.818 -0.566 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.359 0.777 -2.748 1.00 0.00 H new ATOM 0 HG SER A 85 -2.819 -0.955 -2.827 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.228 3.444 -1.416 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.721 4.759 -1.791 1.00 0.00 C ATOM 1320 C PHE A 86 -3.221 5.519 -0.566 1.00 0.00 C ATOM 1321 O PHE A 86 -2.073 5.962 -0.521 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.812 5.567 -2.497 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.675 7.051 -2.308 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.473 7.688 -2.570 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.749 7.809 -1.870 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.344 9.053 -2.397 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.626 9.175 -1.695 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.423 9.798 -1.960 1.00 0.00 C ATOM 0 H PHE A 86 -5.239 3.342 -1.500 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.884 4.617 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.788 5.341 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.786 5.250 -2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.627 7.111 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.693 7.327 -1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.401 9.537 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.470 9.754 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.325 10.865 -1.826 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.092 5.667 0.427 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.741 6.373 1.654 1.00 0.00 C ATOM 1340 C LEU A 87 -2.355 5.963 2.141 1.00 0.00 C ATOM 1341 O LEU A 87 -1.494 6.810 2.384 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.779 6.094 2.742 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.077 6.898 2.653 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.226 6.130 3.287 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -5.910 8.257 3.317 1.00 0.00 C ATOM 0 H LEU A 87 -5.046 5.307 0.406 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.729 7.441 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.029 5.033 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.321 6.288 3.712 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.311 7.057 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.141 6.718 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.361 5.182 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.001 5.938 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.844 8.815 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.651 8.120 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.116 8.811 2.817 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.144 4.659 2.280 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.862 4.134 2.734 1.00 0.00 C ATOM 1359 C LYS A 88 0.291 4.784 1.976 1.00 0.00 C ATOM 1360 O LYS A 88 1.160 5.418 2.574 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.815 2.616 2.552 1.00 0.00 C ATOM 1362 CG LYS A 88 0.065 1.908 3.567 1.00 0.00 C ATOM 1363 CD LYS A 88 0.666 0.636 2.994 1.00 0.00 C ATOM 1364 CE LYS A 88 -0.413 -0.345 2.561 1.00 0.00 C ATOM 1365 NZ LYS A 88 0.033 -1.193 1.421 1.00 0.00 N ATOM 0 H LYS A 88 -2.846 3.945 2.084 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.756 4.369 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.828 2.219 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.453 2.390 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.864 2.577 3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.522 1.667 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.298 0.883 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.307 0.167 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.684 -0.982 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.310 0.205 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.730 -1.848 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.267 -0.587 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.874 -1.737 1.701 1.00 0.00 H new ATOM 1379 N ALA A 89 0.292 4.622 0.657 1.00 0.00 N ATOM 1380 CA ALA A 89 1.336 5.196 -0.183 1.00 0.00 C ATOM 1381 C ALA A 89 1.752 6.573 0.323 1.00 0.00 C ATOM 1382 O ALA A 89 2.928 6.817 0.589 1.00 0.00 O ATOM 1383 CB ALA A 89 0.864 5.282 -1.627 1.00 0.00 C ATOM 0 H ALA A 89 -0.419 4.098 0.147 1.00 0.00 H new ATOM 0 HA ALA A 89 2.207 4.542 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.654 5.712 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.623 4.283 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.024 5.912 -1.683 1.00 0.00 H new ATOM 1389 N ASN A 90 0.780 7.470 0.453 1.00 0.00 N ATOM 1390 CA ASN A 90 1.046 8.823 0.926 1.00 0.00 C ATOM 1391 C ASN A 90 1.365 8.825 2.418 1.00 0.00 C ATOM 1392 O ASN A 90 2.492 9.115 2.821 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.156 9.729 0.649 1.00 0.00 C ATOM 1394 CG ASN A 90 0.179 11.199 0.808 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.305 11.861 1.726 1.00 0.00 O ATOM 1396 ND2 ASN A 90 1.011 11.717 -0.088 1.00 0.00 N ATOM 0 H ASN A 90 -0.199 7.284 0.237 1.00 0.00 H new ATOM 0 HA ASN A 90 1.912 9.205 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.517 9.549 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.968 9.469 1.328 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.273 12.701 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.388 11.131 -0.832 1.00 0.00 H new ATOM 1403 N ILE A 91 0.366 8.500 3.231 1.00 0.00 N ATOM 1404 CA ILE A 91 0.541 8.462 4.678 1.00 0.00 C ATOM 1405 C ILE A 91 1.915 7.915 5.052 1.00 0.00 C ATOM 1406 O ILE A 91 2.758 8.636 5.586 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.543 7.603 5.354 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.884 8.340 5.353 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.128 7.247 6.774 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.047 7.480 5.795 1.00 0.00 C ATOM 0 H ILE A 91 -0.573 8.259 2.913 1.00 0.00 H new ATOM 0 HA ILE A 91 0.453 9.489 5.033 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.658 6.679 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.813 9.207 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.082 8.716 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.905 6.640 7.239 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.806 6.686 6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.012 8.160 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.965 8.068 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.144 6.627 5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.872 7.125 6.810 1.00 0.00 H new ATOM 1422 N LEU A 92 2.133 6.636 4.766 1.00 0.00 N ATOM 1423 CA LEU A 92 3.406 5.991 5.070 1.00 0.00 C ATOM 1424 C LEU A 92 4.560 6.711 4.380 1.00 0.00 C ATOM 1425 O LEU A 92 5.690 6.704 4.867 1.00 0.00 O ATOM 1426 CB LEU A 92 3.373 4.524 4.638 1.00 0.00 C ATOM 1427 CG LEU A 92 2.615 3.569 5.561 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.853 2.125 5.147 1.00 0.00 C ATOM 1429 CD2 LEU A 92 3.028 3.786 7.009 1.00 0.00 C ATOM 0 H LEU A 92 1.446 6.025 4.324 1.00 0.00 H new ATOM 0 HA LEU A 92 3.563 6.042 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.927 4.468 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.400 4.170 4.546 1.00 0.00 H new ATOM 0 HG LEU A 92 1.549 3.779 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.306 1.460 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.506 1.978 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.918 1.901 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.478 3.098 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.098 3.604 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.804 4.812 7.301 1.00 0.00 H new ATOM 1441 N GLY A 93 4.267 7.333 3.242 1.00 0.00 N ATOM 1442 CA GLY A 93 5.290 8.051 2.504 1.00 0.00 C ATOM 1443 C GLY A 93 5.741 9.311 3.215 1.00 0.00 C ATOM 1444 O GLY A 93 6.923 9.656 3.193 1.00 0.00 O ATOM 0 H GLY A 93 3.340 7.353 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.149 7.397 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.907 8.312 1.518 1.00 0.00 H new ATOM 1448 N LEU A 94 4.799 10.002 3.847 1.00 0.00 N ATOM 1449 CA LEU A 94 5.105 11.233 4.567 1.00 0.00 C ATOM 1450 C LEU A 94 6.293 11.035 5.504 1.00 0.00 C ATOM 1451 O LEU A 94 7.158 11.903 5.618 1.00 0.00 O ATOM 1452 CB LEU A 94 3.885 11.699 5.364 1.00 0.00 C ATOM 1453 CG LEU A 94 2.872 12.553 4.601 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.486 12.411 5.212 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.305 14.012 4.591 1.00 0.00 C ATOM 0 H LEU A 94 3.816 9.731 3.875 1.00 0.00 H new ATOM 0 HA LEU A 94 5.366 11.997 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.371 10.819 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.234 12.268 6.226 1.00 0.00 H new ATOM 0 HG LEU A 94 2.830 12.200 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.778 13.026 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.174 11.368 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.511 12.738 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.572 14.605 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.376 14.378 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.278 14.100 4.107 1.00 0.00 H new