USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 903 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 94 ASN : amide:sc= 0.672 K(o=0.71,f=-2.1!) USER MOD Set 1.2: A 113 SER OG : rot 170:sc= 0.0355 USER MOD Set 2.1: A 60 THR OG1 : rot -92:sc= 1.33 USER MOD Set 2.2: A 62 SER OG : rot -25:sc= -0.0462 USER MOD Set 3.1: A 49 MET CE :methyl 168:sc= -1.07 (180deg=-1.24) USER MOD Set 3.2: A 53 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0539) USER MOD Single : A 14 HIS : no HE2:sc= 0.27 K(o=0.27,f=-2.3) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0936 K(o=-0.094,f=-1.5!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.6!) USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= -1.55 (180deg=-5.48!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 12:sc= 0.00749 USER MOD Single : A 46 SER OG : rot 180:sc= -0.935 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -113:sc= -5.76! (180deg=-11.1!) USER MOD Single : A 66 CYS SG : rot -145:sc= -1.11 USER MOD Single : A 70 THR OG1 : rot 100:sc= -1.44 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -110:sc= 0.0135 USER MOD Single : A 80 THR OG1 : rot -80:sc= 0.9 USER MOD Single : A 83 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-6.5!) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.18! C(o=-2.2!,f=-1.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.034) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.016) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -9:sc= 0.903 USER MOD ----------------------------------------------------------------- ATOM 156 N HIS A 14 -14.803 2.835 -15.672 1.00 0.00 N ATOM 157 CA HIS A 14 -13.580 2.058 -15.777 1.00 0.00 C ATOM 158 C HIS A 14 -12.802 2.145 -14.462 1.00 0.00 C ATOM 159 O HIS A 14 -12.462 3.237 -14.009 1.00 0.00 O ATOM 160 CB HIS A 14 -12.754 2.503 -16.985 1.00 0.00 C ATOM 161 CG HIS A 14 -12.800 3.990 -17.245 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.424 4.929 -16.300 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.179 4.690 -18.353 1.00 0.00 C ATOM 164 CE1 HIS A 14 -12.576 6.136 -16.826 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.045 5.985 -18.098 1.00 0.00 N ATOM 0 HA HIS A 14 -13.825 1.009 -15.945 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.717 2.203 -16.834 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -13.112 1.978 -17.871 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -12.087 4.726 -15.359 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.529 4.262 -19.281 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.366 7.074 -16.334 1.00 0.00 H new ATOM 173 N PRO A 15 -12.536 0.949 -13.871 1.00 0.00 N ATOM 174 CA PRO A 15 -11.805 0.880 -12.618 1.00 0.00 C ATOM 175 C PRO A 15 -10.314 1.143 -12.838 1.00 0.00 C ATOM 176 O PRO A 15 -9.638 1.681 -11.961 1.00 0.00 O ATOM 177 CB PRO A 15 -12.089 -0.510 -12.072 1.00 0.00 C ATOM 178 CG PRO A 15 -12.584 -1.328 -13.254 1.00 0.00 C ATOM 179 CD PRO A 15 -12.923 -0.364 -14.379 1.00 0.00 C ATOM 0 HA PRO A 15 -12.118 1.644 -11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.191 -0.951 -11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.838 -0.474 -11.281 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.820 -2.036 -13.575 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.461 -1.911 -12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.379 -0.612 -15.290 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.985 -0.397 -14.622 1.00 0.00 H new ATOM 187 N VAL A 16 -9.843 0.750 -14.013 1.00 0.00 N ATOM 188 CA VAL A 16 -8.445 0.936 -14.359 1.00 0.00 C ATOM 189 C VAL A 16 -8.319 2.094 -15.352 1.00 0.00 C ATOM 190 O VAL A 16 -9.155 2.247 -16.241 1.00 0.00 O ATOM 191 CB VAL A 16 -7.858 -0.373 -14.890 1.00 0.00 C ATOM 192 CG1 VAL A 16 -6.354 -0.241 -15.134 1.00 0.00 C ATOM 193 CG2 VAL A 16 -8.160 -1.534 -13.940 1.00 0.00 C ATOM 0 H VAL A 16 -10.406 0.303 -14.737 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.865 1.201 -13.475 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.334 -0.590 -15.846 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.962 -1.186 -15.511 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.172 0.546 -15.866 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.854 0.011 -14.199 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.732 -2.453 -14.341 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.725 -1.327 -12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.239 -1.650 -13.839 1.00 0.00 H new ATOM 203 N THR A 17 -7.267 2.878 -15.167 1.00 0.00 N ATOM 204 CA THR A 17 -7.022 4.017 -16.035 1.00 0.00 C ATOM 205 C THR A 17 -5.527 4.340 -16.081 1.00 0.00 C ATOM 206 O THR A 17 -4.876 4.432 -15.041 1.00 0.00 O ATOM 207 CB THR A 17 -7.881 5.183 -15.541 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.070 4.911 -14.155 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.295 5.156 -16.123 1.00 0.00 C ATOM 0 H THR A 17 -6.575 2.747 -14.429 1.00 0.00 H new ATOM 0 HA THR A 17 -7.308 3.798 -17.064 1.00 0.00 H new ATOM 0 HB THR A 17 -7.400 6.125 -15.802 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.616 5.619 -13.754 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.862 6.005 -15.740 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.242 5.215 -17.210 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.790 4.229 -15.834 1.00 0.00 H new ATOM 217 N TRP A 18 -5.026 4.504 -17.296 1.00 0.00 N ATOM 218 CA TRP A 18 -3.620 4.816 -17.491 1.00 0.00 C ATOM 219 C TRP A 18 -3.530 6.109 -18.303 1.00 0.00 C ATOM 220 O TRP A 18 -3.838 6.121 -19.494 1.00 0.00 O ATOM 221 CB TRP A 18 -2.885 3.645 -18.147 1.00 0.00 C ATOM 222 CG TRP A 18 -2.696 2.436 -17.230 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.530 1.405 -17.040 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.560 2.173 -16.378 1.00 0.00 C ATOM 225 NE1 TRP A 18 -3.018 0.500 -16.133 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.782 0.981 -15.718 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.385 2.916 -16.173 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.872 0.429 -14.808 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.514 2.350 -15.262 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.306 1.152 -14.588 1.00 0.00 C ATOM 0 H TRP A 18 -5.569 4.427 -18.156 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.123 4.972 -16.533 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.438 3.333 -19.033 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.907 3.987 -18.486 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.484 1.296 -17.535 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.465 -0.363 -15.824 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.191 3.850 -16.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.069 -0.505 -14.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.434 2.881 -15.069 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.050 0.781 -13.898 1.00 0.00 H new ATOM 241 N GLN A 19 -3.107 7.167 -17.626 1.00 0.00 N ATOM 242 CA GLN A 19 -2.973 8.462 -18.270 1.00 0.00 C ATOM 243 C GLN A 19 -1.706 9.169 -17.782 1.00 0.00 C ATOM 244 O GLN A 19 -1.239 8.917 -16.673 1.00 0.00 O ATOM 245 CB GLN A 19 -4.211 9.327 -18.026 1.00 0.00 C ATOM 246 CG GLN A 19 -5.468 8.652 -18.579 1.00 0.00 C ATOM 247 CD GLN A 19 -5.637 8.945 -20.071 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.229 9.977 -20.578 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.259 7.982 -20.744 1.00 0.00 N ATOM 0 H GLN A 19 -2.853 7.153 -16.638 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.887 8.304 -19.345 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.330 9.505 -16.957 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.078 10.300 -18.499 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.406 7.575 -18.421 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.344 9.004 -18.034 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.575 7.143 -20.258 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.420 8.082 -21.746 1.00 0.00 H new ATOM 258 N PRO A 20 -1.173 10.062 -18.658 1.00 0.00 N ATOM 259 CA PRO A 20 0.031 10.807 -18.328 1.00 0.00 C ATOM 260 C PRO A 20 -0.272 11.920 -17.323 1.00 0.00 C ATOM 261 O PRO A 20 -1.410 12.376 -17.219 1.00 0.00 O ATOM 262 CB PRO A 20 0.546 11.332 -19.658 1.00 0.00 C ATOM 263 CG PRO A 20 -0.629 11.257 -20.619 1.00 0.00 C ATOM 264 CD PRO A 20 -1.699 10.386 -19.981 1.00 0.00 C ATOM 0 HA PRO A 20 0.786 10.191 -17.839 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.906 12.356 -19.561 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.383 10.733 -20.017 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.020 12.254 -20.822 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.314 10.837 -21.574 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.650 10.914 -19.911 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.878 9.485 -20.568 1.00 0.00 H new ATOM 272 N SER A 21 0.767 12.326 -16.607 1.00 0.00 N ATOM 273 CA SER A 21 0.626 13.377 -15.613 1.00 0.00 C ATOM 274 C SER A 21 0.409 14.724 -16.305 1.00 0.00 C ATOM 275 O SER A 21 0.250 14.782 -17.523 1.00 0.00 O ATOM 276 CB SER A 21 1.853 13.440 -14.701 1.00 0.00 C ATOM 277 OG SER A 21 2.965 14.055 -15.344 1.00 0.00 O ATOM 0 H SER A 21 1.709 11.946 -16.696 1.00 0.00 H new ATOM 0 HA SER A 21 -0.242 13.149 -14.994 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.604 13.996 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.126 12.431 -14.391 1.00 0.00 H new ATOM 0 HG SER A 21 3.727 14.078 -14.729 1.00 0.00 H new ATOM 283 N LYS A 22 0.409 15.774 -15.497 1.00 0.00 N ATOM 284 CA LYS A 22 0.214 17.118 -16.015 1.00 0.00 C ATOM 285 C LYS A 22 1.290 17.417 -17.061 1.00 0.00 C ATOM 286 O LYS A 22 1.007 18.029 -18.090 1.00 0.00 O ATOM 287 CB LYS A 22 0.169 18.132 -14.871 1.00 0.00 C ATOM 288 CG LYS A 22 -1.253 18.652 -14.655 1.00 0.00 C ATOM 289 CD LYS A 22 -2.038 17.730 -13.720 1.00 0.00 C ATOM 290 CE LYS A 22 -3.478 17.552 -14.206 1.00 0.00 C ATOM 291 NZ LYS A 22 -4.328 18.664 -13.725 1.00 0.00 N ATOM 0 H LYS A 22 0.541 15.721 -14.487 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.750 17.197 -16.517 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.533 17.668 -13.955 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.835 18.966 -15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.217 19.657 -14.234 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.766 18.726 -15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.547 16.759 -13.665 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.039 18.144 -12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.499 17.515 -15.295 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.874 16.602 -13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.302 18.528 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.322 18.681 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.958 19.566 -14.088 1.00 0.00 H new ATOM 305 N ASP A 23 2.501 16.971 -16.762 1.00 0.00 N ATOM 306 CA ASP A 23 3.620 17.184 -17.664 1.00 0.00 C ATOM 307 C ASP A 23 3.469 16.271 -18.882 1.00 0.00 C ATOM 308 O ASP A 23 3.161 16.738 -19.978 1.00 0.00 O ATOM 309 CB ASP A 23 4.948 16.846 -16.983 1.00 0.00 C ATOM 310 CG ASP A 23 5.808 18.055 -16.608 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.365 19.183 -16.912 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.890 17.823 -16.026 1.00 0.00 O ATOM 0 H ASP A 23 2.732 16.463 -15.908 1.00 0.00 H new ATOM 0 HA ASP A 23 3.621 18.234 -17.957 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.740 16.273 -16.080 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.525 16.200 -17.645 1.00 0.00 H new ATOM 317 N GLY A 24 3.691 14.985 -18.650 1.00 0.00 N ATOM 318 CA GLY A 24 3.583 14.003 -19.716 1.00 0.00 C ATOM 319 C GLY A 24 4.750 13.014 -19.670 1.00 0.00 C ATOM 320 O GLY A 24 4.637 11.893 -20.163 1.00 0.00 O ATOM 0 H GLY A 24 3.945 14.601 -17.740 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.640 13.463 -19.624 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.568 14.509 -20.681 1.00 0.00 H new ATOM 324 N ASP A 25 5.843 13.465 -19.073 1.00 0.00 N ATOM 325 CA ASP A 25 7.029 12.634 -18.956 1.00 0.00 C ATOM 326 C ASP A 25 6.698 11.395 -18.121 1.00 0.00 C ATOM 327 O ASP A 25 7.302 10.339 -18.304 1.00 0.00 O ATOM 328 CB ASP A 25 8.163 13.386 -18.256 1.00 0.00 C ATOM 329 CG ASP A 25 8.826 14.480 -19.095 1.00 0.00 C ATOM 330 OD1 ASP A 25 8.728 14.382 -20.337 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.418 15.391 -18.475 1.00 0.00 O ATOM 0 H ASP A 25 5.932 14.396 -18.665 1.00 0.00 H new ATOM 0 HA ASP A 25 7.347 12.357 -19.961 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.772 13.836 -17.343 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.925 12.667 -17.956 1.00 0.00 H new ATOM 336 N ARG A 26 5.739 11.565 -17.222 1.00 0.00 N ATOM 337 CA ARG A 26 5.321 10.474 -16.359 1.00 0.00 C ATOM 338 C ARG A 26 3.991 9.894 -16.843 1.00 0.00 C ATOM 339 O ARG A 26 3.265 10.541 -17.596 1.00 0.00 O ATOM 340 CB ARG A 26 5.167 10.945 -14.911 1.00 0.00 C ATOM 341 CG ARG A 26 6.532 11.099 -14.236 1.00 0.00 C ATOM 342 CD ARG A 26 7.079 9.741 -13.792 1.00 0.00 C ATOM 343 NE ARG A 26 8.537 9.677 -14.041 1.00 0.00 N ATOM 344 CZ ARG A 26 9.462 10.201 -13.225 1.00 0.00 C ATOM 345 NH1 ARG A 26 9.086 10.830 -12.103 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.762 10.095 -13.530 1.00 0.00 N ATOM 0 H ARG A 26 5.240 12.442 -17.073 1.00 0.00 H new ATOM 0 HA ARG A 26 6.093 9.705 -16.399 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.637 11.897 -14.889 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.561 10.230 -14.355 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.232 11.569 -14.926 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.443 11.759 -13.373 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.875 9.586 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.574 8.941 -14.334 1.00 0.00 H new ATOM 0 HE ARG A 26 8.857 9.205 -14.886 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.096 10.910 -11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.790 11.229 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.048 9.615 -14.384 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.466 10.494 -12.909 1.00 0.00 H new ATOM 360 N LEU A 27 3.712 8.680 -16.392 1.00 0.00 N ATOM 361 CA LEU A 27 2.482 8.005 -16.770 1.00 0.00 C ATOM 362 C LEU A 27 1.751 7.541 -15.508 1.00 0.00 C ATOM 363 O LEU A 27 2.176 6.589 -14.855 1.00 0.00 O ATOM 364 CB LEU A 27 2.772 6.878 -17.762 1.00 0.00 C ATOM 365 CG LEU A 27 1.675 6.587 -18.787 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.381 7.322 -18.430 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.147 6.916 -20.205 1.00 0.00 C ATOM 0 H LEU A 27 4.317 8.146 -15.768 1.00 0.00 H new ATOM 0 HA LEU A 27 1.815 8.692 -17.291 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.688 7.121 -18.300 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.966 5.966 -17.198 1.00 0.00 H new ATOM 0 HG LEU A 27 1.458 5.519 -18.759 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.382 7.098 -19.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.037 6.997 -17.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.566 8.396 -18.412 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.348 6.700 -20.914 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.410 7.972 -20.265 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.020 6.311 -20.447 1.00 0.00 H new ATOM 379 N ILE A 28 0.665 8.235 -15.203 1.00 0.00 N ATOM 380 CA ILE A 28 -0.129 7.906 -14.031 1.00 0.00 C ATOM 381 C ILE A 28 -1.110 6.786 -14.383 1.00 0.00 C ATOM 382 O ILE A 28 -1.892 6.914 -15.324 1.00 0.00 O ATOM 383 CB ILE A 28 -0.803 9.161 -13.471 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.186 10.326 -13.395 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.456 8.874 -12.117 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.456 9.920 -12.646 1.00 0.00 C ATOM 0 H ILE A 28 0.316 9.024 -15.747 1.00 0.00 H new ATOM 0 HA ILE A 28 0.509 7.531 -13.231 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.598 9.457 -14.156 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.443 10.655 -14.402 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.282 11.172 -12.892 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.928 9.782 -11.741 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.210 8.095 -12.234 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.696 8.540 -11.410 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.142 10.767 -12.607 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.198 9.614 -11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.935 9.089 -13.165 1.00 0.00 H new ATOM 398 N GLY A 29 -1.038 5.714 -13.608 1.00 0.00 N ATOM 399 CA GLY A 29 -1.910 4.573 -13.826 1.00 0.00 C ATOM 400 C GLY A 29 -2.650 4.195 -12.542 1.00 0.00 C ATOM 401 O GLY A 29 -2.050 4.132 -11.470 1.00 0.00 O ATOM 0 H GLY A 29 -0.389 5.612 -12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.631 4.806 -14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.323 3.724 -14.175 1.00 0.00 H new ATOM 405 N ARG A 30 -3.944 3.954 -12.692 1.00 0.00 N ATOM 406 CA ARG A 30 -4.773 3.584 -11.557 1.00 0.00 C ATOM 407 C ARG A 30 -5.240 2.133 -11.691 1.00 0.00 C ATOM 408 O ARG A 30 -5.400 1.629 -12.802 1.00 0.00 O ATOM 409 CB ARG A 30 -5.995 4.498 -11.446 1.00 0.00 C ATOM 410 CG ARG A 30 -6.122 5.075 -10.035 1.00 0.00 C ATOM 411 CD ARG A 30 -7.398 5.908 -9.896 1.00 0.00 C ATOM 412 NE ARG A 30 -7.054 7.316 -9.598 1.00 0.00 N ATOM 413 CZ ARG A 30 -7.944 8.317 -9.568 1.00 0.00 C ATOM 414 NH1 ARG A 30 -9.237 8.071 -9.819 1.00 0.00 N ATOM 415 NH2 ARG A 30 -7.541 9.564 -9.288 1.00 0.00 N ATOM 0 H ARG A 30 -4.439 4.008 -13.582 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.169 3.693 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.913 5.310 -12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.896 3.938 -11.696 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.131 4.264 -9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.253 5.694 -9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.979 5.854 -10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.023 5.502 -9.100 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.078 7.538 -9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.543 7.122 -10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.915 8.833 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.557 9.751 -9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.219 10.326 -9.265 1.00 0.00 H new ATOM 429 N ILE A 31 -5.446 1.503 -10.544 1.00 0.00 N ATOM 430 CA ILE A 31 -5.892 0.120 -10.520 1.00 0.00 C ATOM 431 C ILE A 31 -6.867 -0.076 -9.357 1.00 0.00 C ATOM 432 O ILE A 31 -6.496 0.088 -8.196 1.00 0.00 O ATOM 433 CB ILE A 31 -4.693 -0.829 -10.483 1.00 0.00 C ATOM 434 CG1 ILE A 31 -4.000 -0.891 -11.846 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.106 -2.216 -9.986 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.778 0.028 -11.883 1.00 0.00 C ATOM 0 H ILE A 31 -5.312 1.924 -9.625 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.433 -0.122 -11.435 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.968 -0.435 -9.771 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.695 -1.916 -12.056 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.702 -0.600 -12.628 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.235 -2.871 -9.969 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.518 -2.134 -8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.860 -2.632 -10.654 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.305 -0.035 -12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.090 1.056 -11.697 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.068 -0.280 -11.116 1.00 0.00 H new ATOM 448 N LEU A 32 -8.096 -0.425 -9.710 1.00 0.00 N ATOM 449 CA LEU A 32 -9.127 -0.646 -8.711 1.00 0.00 C ATOM 450 C LEU A 32 -9.570 -2.110 -8.755 1.00 0.00 C ATOM 451 O LEU A 32 -9.806 -2.659 -9.831 1.00 0.00 O ATOM 452 CB LEU A 32 -10.275 0.349 -8.897 1.00 0.00 C ATOM 453 CG LEU A 32 -11.441 0.218 -7.915 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.439 -0.842 -8.388 1.00 0.00 C ATOM 455 CD2 LEU A 32 -10.937 -0.061 -6.498 1.00 0.00 C ATOM 0 H LEU A 32 -8.400 -0.560 -10.674 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.734 -0.462 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.871 1.358 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.664 0.239 -9.909 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.971 1.170 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.258 -0.916 -7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.834 -0.560 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.937 -1.806 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.786 -0.149 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.368 -0.991 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.297 0.758 -6.172 1.00 0.00 H new ATOM 467 N LEU A 33 -9.668 -2.701 -7.574 1.00 0.00 N ATOM 468 CA LEU A 33 -10.078 -4.091 -7.464 1.00 0.00 C ATOM 469 C LEU A 33 -11.377 -4.173 -6.659 1.00 0.00 C ATOM 470 O LEU A 33 -11.588 -3.392 -5.733 1.00 0.00 O ATOM 471 CB LEU A 33 -8.943 -4.940 -6.889 1.00 0.00 C ATOM 472 CG LEU A 33 -7.618 -4.896 -7.653 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.858 -4.767 -9.158 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.714 -3.784 -7.118 1.00 0.00 C ATOM 0 H LEU A 33 -9.471 -2.243 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.287 -4.506 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.759 -4.619 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.279 -5.976 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.097 -5.840 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.900 -4.738 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.436 -5.622 -9.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.409 -3.849 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.779 -3.774 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.215 -2.822 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.504 -3.962 -6.063 1.00 0.00 H new ATOM 486 N ASN A 34 -12.213 -5.127 -7.042 1.00 0.00 N ATOM 487 CA ASN A 34 -13.485 -5.322 -6.368 1.00 0.00 C ATOM 488 C ASN A 34 -13.598 -6.778 -5.911 1.00 0.00 C ATOM 489 O ASN A 34 -13.959 -7.652 -6.697 1.00 0.00 O ATOM 490 CB ASN A 34 -14.657 -5.029 -7.307 1.00 0.00 C ATOM 491 CG ASN A 34 -15.967 -4.901 -6.527 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.675 -5.865 -6.289 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.248 -3.659 -6.143 1.00 0.00 N ATOM 0 H ASN A 34 -12.034 -5.773 -7.811 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.524 -4.640 -5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.465 -4.107 -7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.745 -5.827 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.100 -3.469 -5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.611 -2.897 -6.376 1.00 0.00 H new ATOM 500 N LYS A 35 -13.283 -6.992 -4.642 1.00 0.00 N ATOM 501 CA LYS A 35 -13.344 -8.327 -4.072 1.00 0.00 C ATOM 502 C LYS A 35 -14.694 -8.519 -3.377 1.00 0.00 C ATOM 503 O LYS A 35 -14.811 -9.319 -2.451 1.00 0.00 O ATOM 504 CB LYS A 35 -12.142 -8.575 -3.158 1.00 0.00 C ATOM 505 CG LYS A 35 -12.356 -7.937 -1.784 1.00 0.00 C ATOM 506 CD LYS A 35 -11.569 -6.631 -1.658 1.00 0.00 C ATOM 507 CE LYS A 35 -10.069 -6.905 -1.530 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.294 -5.931 -2.330 1.00 0.00 N ATOM 0 H LYS A 35 -12.985 -6.264 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.279 -9.080 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.983 -9.647 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.242 -8.166 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.417 -7.742 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.043 -8.631 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.755 -6.005 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.916 -6.075 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.770 -6.844 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.848 -7.918 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.454 -5.632 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.996 -6.374 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.886 -5.101 -2.536 1.00 0.00 H new ATOM 522 N ARG A 36 -15.679 -7.770 -3.851 1.00 0.00 N ATOM 523 CA ARG A 36 -17.016 -7.847 -3.287 1.00 0.00 C ATOM 524 C ARG A 36 -17.790 -9.008 -3.914 1.00 0.00 C ATOM 525 O ARG A 36 -17.464 -9.456 -5.013 1.00 0.00 O ATOM 526 CB ARG A 36 -17.787 -6.546 -3.518 1.00 0.00 C ATOM 527 CG ARG A 36 -17.025 -5.348 -2.947 1.00 0.00 C ATOM 528 CD ARG A 36 -17.788 -4.045 -3.193 1.00 0.00 C ATOM 529 NE ARG A 36 -18.553 -3.671 -1.982 1.00 0.00 N ATOM 530 CZ ARG A 36 -19.358 -2.603 -1.903 1.00 0.00 C ATOM 531 NH1 ARG A 36 -19.508 -1.797 -2.962 1.00 0.00 N ATOM 532 NH2 ARG A 36 -20.013 -2.340 -0.763 1.00 0.00 N ATOM 0 H ARG A 36 -15.578 -7.107 -4.619 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.914 -8.010 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.952 -6.401 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -18.769 -6.613 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.871 -5.487 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.038 -5.288 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.090 -3.249 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.465 -4.164 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.462 -4.263 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.009 -1.996 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.121 -0.984 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.898 -2.953 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.626 -1.527 -0.703 1.00 0.00 H new ATOM 546 N LEU A 37 -18.800 -9.464 -3.188 1.00 0.00 N ATOM 547 CA LEU A 37 -19.623 -10.565 -3.659 1.00 0.00 C ATOM 548 C LEU A 37 -20.693 -10.025 -4.611 1.00 0.00 C ATOM 549 O LEU A 37 -20.675 -8.848 -4.967 1.00 0.00 O ATOM 550 CB LEU A 37 -20.192 -11.353 -2.477 1.00 0.00 C ATOM 551 CG LEU A 37 -19.168 -12.061 -1.589 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.723 -12.282 -0.180 1.00 0.00 C ATOM 553 CD2 LEU A 37 -18.696 -13.368 -2.230 1.00 0.00 C ATOM 0 H LEU A 37 -19.067 -9.091 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.021 -11.276 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.772 -10.670 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.886 -12.099 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.295 -11.415 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.975 -12.787 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.969 -11.320 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.621 -12.897 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.968 -13.851 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.549 -14.031 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.234 -13.154 -3.194 1.00 0.00 H new ATOM 565 N LYS A 38 -21.600 -10.912 -4.994 1.00 0.00 N ATOM 566 CA LYS A 38 -22.676 -10.540 -5.897 1.00 0.00 C ATOM 567 C LYS A 38 -23.617 -9.563 -5.187 1.00 0.00 C ATOM 568 O LYS A 38 -23.911 -8.489 -5.709 1.00 0.00 O ATOM 569 CB LYS A 38 -23.378 -11.787 -6.437 1.00 0.00 C ATOM 570 CG LYS A 38 -24.337 -11.427 -7.574 1.00 0.00 C ATOM 571 CD LYS A 38 -23.630 -11.493 -8.929 1.00 0.00 C ATOM 572 CE LYS A 38 -23.959 -10.264 -9.779 1.00 0.00 C ATOM 573 NZ LYS A 38 -23.607 -10.505 -11.196 1.00 0.00 N ATOM 0 H LYS A 38 -21.612 -11.887 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.279 -10.023 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.636 -12.500 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.928 -12.276 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.186 -12.111 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -24.734 -10.424 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.552 -11.558 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.933 -12.397 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -25.021 -10.031 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -23.412 -9.398 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.837 -9.661 -11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.589 -10.705 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -24.147 -11.318 -11.555 1.00 0.00 H new ATOM 587 N ASP A 39 -24.062 -9.972 -4.008 1.00 0.00 N ATOM 588 CA ASP A 39 -24.963 -9.147 -3.222 1.00 0.00 C ATOM 589 C ASP A 39 -24.367 -7.746 -3.074 1.00 0.00 C ATOM 590 O ASP A 39 -25.082 -6.750 -3.165 1.00 0.00 O ATOM 591 CB ASP A 39 -25.160 -9.728 -1.820 1.00 0.00 C ATOM 592 CG ASP A 39 -26.302 -9.104 -1.016 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.048 -8.050 -0.394 1.00 0.00 O ATOM 594 OD2 ASP A 39 -27.403 -9.695 -1.042 1.00 0.00 O ATOM 0 H ASP A 39 -23.815 -10.864 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.923 -9.112 -3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -25.342 -10.799 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.233 -9.607 -1.260 1.00 0.00 H new ATOM 599 N GLY A 40 -23.062 -7.714 -2.848 1.00 0.00 N ATOM 600 CA GLY A 40 -22.361 -6.452 -2.686 1.00 0.00 C ATOM 601 C GLY A 40 -21.693 -6.367 -1.312 1.00 0.00 C ATOM 602 O GLY A 40 -21.621 -5.293 -0.718 1.00 0.00 O ATOM 0 H GLY A 40 -22.472 -8.542 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.608 -6.347 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.061 -5.625 -2.805 1.00 0.00 H new ATOM 606 N SER A 41 -21.221 -7.515 -0.848 1.00 0.00 N ATOM 607 CA SER A 41 -20.561 -7.584 0.445 1.00 0.00 C ATOM 608 C SER A 41 -19.361 -8.530 0.370 1.00 0.00 C ATOM 609 O SER A 41 -19.510 -9.701 0.024 1.00 0.00 O ATOM 610 CB SER A 41 -21.532 -8.043 1.535 1.00 0.00 C ATOM 611 OG SER A 41 -22.415 -7.000 1.937 1.00 0.00 O ATOM 0 H SER A 41 -21.282 -8.404 -1.344 1.00 0.00 H new ATOM 0 HA SER A 41 -20.212 -6.585 0.705 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.113 -8.889 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 41 -20.968 -8.393 2.399 1.00 0.00 H new ATOM 0 HG SER A 41 -22.354 -6.257 1.301 1.00 0.00 H new ATOM 617 N VAL A 42 -18.199 -7.987 0.700 1.00 0.00 N ATOM 618 CA VAL A 42 -16.974 -8.768 0.675 1.00 0.00 C ATOM 619 C VAL A 42 -17.174 -10.050 1.487 1.00 0.00 C ATOM 620 O VAL A 42 -17.802 -10.027 2.544 1.00 0.00 O ATOM 621 CB VAL A 42 -15.802 -7.921 1.175 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.491 -8.707 1.112 1.00 0.00 C ATOM 623 CG2 VAL A 42 -15.696 -6.613 0.388 1.00 0.00 C ATOM 0 H VAL A 42 -18.080 -7.015 0.986 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.732 -9.064 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.991 -7.670 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.674 -8.082 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.570 -9.597 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.293 -9.003 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.855 -6.030 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.541 -6.835 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.616 -6.041 0.507 1.00 0.00 H new ATOM 633 N PRO A 43 -16.614 -11.165 0.948 1.00 0.00 N ATOM 634 CA PRO A 43 -16.724 -12.454 1.610 1.00 0.00 C ATOM 635 C PRO A 43 -15.793 -12.529 2.822 1.00 0.00 C ATOM 636 O PRO A 43 -15.188 -11.530 3.207 1.00 0.00 O ATOM 637 CB PRO A 43 -16.389 -13.478 0.538 1.00 0.00 C ATOM 638 CG PRO A 43 -15.654 -12.714 -0.552 1.00 0.00 C ATOM 639 CD PRO A 43 -15.862 -11.229 -0.302 1.00 0.00 C ATOM 0 HA PRO A 43 -17.719 -12.635 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.768 -14.277 0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -17.293 -13.944 0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.592 -12.958 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.033 -12.992 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.910 -10.704 -0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.412 -10.763 -1.119 1.00 0.00 H new ATOM 647 N ARG A 44 -15.707 -13.724 3.388 1.00 0.00 N ATOM 648 CA ARG A 44 -14.859 -13.943 4.548 1.00 0.00 C ATOM 649 C ARG A 44 -13.583 -13.105 4.438 1.00 0.00 C ATOM 650 O ARG A 44 -13.165 -12.474 5.408 1.00 0.00 O ATOM 651 CB ARG A 44 -14.482 -15.419 4.684 1.00 0.00 C ATOM 652 CG ARG A 44 -15.343 -16.110 5.743 1.00 0.00 C ATOM 653 CD ARG A 44 -14.606 -16.189 7.082 1.00 0.00 C ATOM 654 NE ARG A 44 -15.542 -15.901 8.192 1.00 0.00 N ATOM 655 CZ ARG A 44 -16.557 -16.701 8.546 1.00 0.00 C ATOM 656 NH1 ARG A 44 -16.774 -17.843 7.879 1.00 0.00 N ATOM 657 NH2 ARG A 44 -17.355 -16.360 9.567 1.00 0.00 N ATOM 0 H ARG A 44 -16.210 -14.550 3.065 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.421 -13.641 5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.608 -15.920 3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.429 -15.506 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.278 -15.564 5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.603 -17.114 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.172 -17.180 7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.782 -15.476 7.096 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.406 -15.039 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.167 -18.103 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.547 -18.452 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.190 -15.491 10.075 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.127 -16.969 9.836 1.00 0.00 H new ATOM 671 N ASP A 45 -12.999 -13.128 3.249 1.00 0.00 N ATOM 672 CA ASP A 45 -11.779 -12.379 3.000 1.00 0.00 C ATOM 673 C ASP A 45 -11.712 -12.000 1.519 1.00 0.00 C ATOM 674 O ASP A 45 -11.810 -10.824 1.171 1.00 0.00 O ATOM 675 CB ASP A 45 -10.542 -13.216 3.331 1.00 0.00 C ATOM 676 CG ASP A 45 -10.762 -14.310 4.377 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.178 -15.414 3.964 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.510 -14.018 5.566 1.00 0.00 O ATOM 0 H ASP A 45 -13.348 -13.654 2.447 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.793 -11.491 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.179 -13.679 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.755 -12.550 3.684 1.00 0.00 H new ATOM 683 N SER A 46 -11.544 -13.018 0.688 1.00 0.00 N ATOM 684 CA SER A 46 -11.462 -12.806 -0.747 1.00 0.00 C ATOM 685 C SER A 46 -10.072 -12.289 -1.122 1.00 0.00 C ATOM 686 O SER A 46 -9.942 -11.401 -1.963 1.00 0.00 O ATOM 687 CB SER A 46 -12.538 -11.827 -1.222 1.00 0.00 C ATOM 688 OG SER A 46 -13.329 -12.373 -2.274 1.00 0.00 O ATOM 0 H SER A 46 -11.462 -13.992 0.981 1.00 0.00 H new ATOM 0 HA SER A 46 -11.633 -13.761 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.182 -11.562 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.065 -10.906 -1.564 1.00 0.00 H new ATOM 0 HG SER A 46 -14.005 -11.719 -2.548 1.00 0.00 H new ATOM 694 N GLY A 47 -9.068 -12.866 -0.478 1.00 0.00 N ATOM 695 CA GLY A 47 -7.692 -12.474 -0.733 1.00 0.00 C ATOM 696 C GLY A 47 -7.539 -10.952 -0.695 1.00 0.00 C ATOM 697 O GLY A 47 -7.288 -10.324 -1.722 1.00 0.00 O ATOM 0 H GLY A 47 -9.180 -13.602 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.037 -12.928 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.377 -12.850 -1.706 1.00 0.00 H new ATOM 701 N ALA A 48 -7.697 -10.403 0.501 1.00 0.00 N ATOM 702 CA ALA A 48 -7.580 -8.967 0.687 1.00 0.00 C ATOM 703 C ALA A 48 -6.303 -8.472 0.004 1.00 0.00 C ATOM 704 O ALA A 48 -6.205 -7.302 -0.363 1.00 0.00 O ATOM 705 CB ALA A 48 -7.606 -8.642 2.181 1.00 0.00 C ATOM 0 H ALA A 48 -7.905 -10.927 1.351 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.422 -8.450 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.518 -7.565 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.545 -8.988 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.773 -9.141 2.676 1.00 0.00 H new ATOM 711 N MET A 49 -5.356 -9.387 -0.145 1.00 0.00 N ATOM 712 CA MET A 49 -4.090 -9.058 -0.777 1.00 0.00 C ATOM 713 C MET A 49 -4.280 -8.764 -2.266 1.00 0.00 C ATOM 714 O MET A 49 -3.341 -8.356 -2.947 1.00 0.00 O ATOM 715 CB MET A 49 -3.116 -10.225 -0.607 1.00 0.00 C ATOM 716 CG MET A 49 -2.055 -9.905 0.448 1.00 0.00 C ATOM 717 SD MET A 49 -0.423 -10.097 -0.250 1.00 0.00 S ATOM 718 CE MET A 49 0.189 -8.429 -0.071 1.00 0.00 C ATOM 0 H MET A 49 -5.440 -10.356 0.161 1.00 0.00 H new ATOM 0 HA MET A 49 -3.688 -8.165 -0.298 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.664 -11.121 -0.316 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.633 -10.442 -1.560 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.187 -8.886 0.811 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.173 -10.566 1.306 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.263 -8.413 -0.258 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.314 -7.778 -0.787 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.008 -8.076 0.941 1.00 0.00 H new ATOM 728 N LEU A 50 -5.503 -8.983 -2.728 1.00 0.00 N ATOM 729 CA LEU A 50 -5.828 -8.747 -4.125 1.00 0.00 C ATOM 730 C LEU A 50 -5.120 -9.789 -4.992 1.00 0.00 C ATOM 731 O LEU A 50 -5.769 -10.557 -5.701 1.00 0.00 O ATOM 732 CB LEU A 50 -5.507 -7.302 -4.513 1.00 0.00 C ATOM 733 CG LEU A 50 -6.142 -6.216 -3.642 1.00 0.00 C ATOM 734 CD1 LEU A 50 -5.095 -5.550 -2.747 1.00 0.00 C ATOM 735 CD2 LEU A 50 -6.896 -5.198 -4.498 1.00 0.00 C ATOM 0 H LEU A 50 -6.280 -9.321 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.898 -8.867 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.425 -7.172 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.824 -7.145 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.873 -6.688 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.572 -4.782 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.642 -6.299 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.323 -5.094 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.338 -4.437 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.204 -4.726 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.684 -5.704 -5.055 1.00 0.00 H new ATOM 747 N GLY A 51 -3.798 -9.782 -4.908 1.00 0.00 N ATOM 748 CA GLY A 51 -2.994 -10.718 -5.677 1.00 0.00 C ATOM 749 C GLY A 51 -1.681 -10.073 -6.125 1.00 0.00 C ATOM 750 O GLY A 51 -1.239 -10.277 -7.254 1.00 0.00 O ATOM 0 H GLY A 51 -3.263 -9.143 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.782 -11.602 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.555 -11.054 -6.549 1.00 0.00 H new ATOM 754 N LEU A 52 -1.094 -9.308 -5.216 1.00 0.00 N ATOM 755 CA LEU A 52 0.160 -8.632 -5.503 1.00 0.00 C ATOM 756 C LEU A 52 0.858 -8.280 -4.188 1.00 0.00 C ATOM 757 O LEU A 52 0.200 -8.056 -3.173 1.00 0.00 O ATOM 758 CB LEU A 52 -0.078 -7.427 -6.415 1.00 0.00 C ATOM 759 CG LEU A 52 0.051 -6.052 -5.757 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.500 -5.772 -5.352 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.513 -4.955 -6.662 1.00 0.00 C ATOM 0 H LEU A 52 -1.464 -9.141 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 52 0.831 -9.292 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.628 -7.479 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.077 -7.511 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.545 -6.053 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.564 -4.788 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.833 -6.531 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.136 -5.797 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.409 -3.988 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.035 -4.944 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.567 -5.151 -6.857 1.00 0.00 H new ATOM 773 N LYS A 53 2.181 -8.242 -4.249 1.00 0.00 N ATOM 774 CA LYS A 53 2.975 -7.921 -3.075 1.00 0.00 C ATOM 775 C LYS A 53 3.584 -6.527 -3.243 1.00 0.00 C ATOM 776 O LYS A 53 4.139 -6.211 -4.294 1.00 0.00 O ATOM 777 CB LYS A 53 4.009 -9.017 -2.812 1.00 0.00 C ATOM 778 CG LYS A 53 3.929 -9.510 -1.365 1.00 0.00 C ATOM 779 CD LYS A 53 5.085 -8.954 -0.532 1.00 0.00 C ATOM 780 CE LYS A 53 4.571 -8.019 0.565 1.00 0.00 C ATOM 781 NZ LYS A 53 3.841 -8.786 1.599 1.00 0.00 N ATOM 0 H LYS A 53 2.723 -8.428 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 53 2.346 -7.889 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.842 -9.851 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.009 -8.635 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.979 -9.205 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.954 -10.600 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.642 -9.776 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.778 -8.415 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.407 -7.488 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.914 -7.266 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.721 -8.197 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.907 -9.060 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.381 -9.640 1.844 1.00 0.00 H new ATOM 795 N VAL A 54 3.461 -5.732 -2.191 1.00 0.00 N ATOM 796 CA VAL A 54 3.993 -4.380 -2.209 1.00 0.00 C ATOM 797 C VAL A 54 5.050 -4.238 -1.111 1.00 0.00 C ATOM 798 O VAL A 54 4.937 -4.853 -0.052 1.00 0.00 O ATOM 799 CB VAL A 54 2.853 -3.367 -2.076 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.366 -1.938 -2.260 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.726 -3.677 -3.063 1.00 0.00 C ATOM 0 H VAL A 54 3.001 -5.998 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 54 4.483 -4.175 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 54 2.447 -3.450 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.536 -1.238 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.117 -1.720 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.811 -1.836 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.929 -2.942 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.113 -3.636 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.332 -4.674 -2.864 1.00 0.00 H new ATOM 811 N VAL A 55 6.053 -3.423 -1.402 1.00 0.00 N ATOM 812 CA VAL A 55 7.129 -3.193 -0.454 1.00 0.00 C ATOM 813 C VAL A 55 7.359 -1.687 -0.306 1.00 0.00 C ATOM 814 O VAL A 55 7.805 -1.029 -1.244 1.00 0.00 O ATOM 815 CB VAL A 55 8.385 -3.949 -0.893 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.645 -3.301 -0.316 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.299 -5.426 -0.503 1.00 0.00 C ATOM 0 H VAL A 55 6.143 -2.914 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 55 6.861 -3.580 0.529 1.00 0.00 H new ATOM 0 HB VAL A 55 8.448 -3.893 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.523 -3.858 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.717 -2.271 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.594 -3.312 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.204 -5.941 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.200 -5.511 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.432 -5.879 -0.984 1.00 0.00 H new ATOM 827 N GLY A 56 7.044 -1.186 0.880 1.00 0.00 N ATOM 828 CA GLY A 56 7.211 0.229 1.162 1.00 0.00 C ATOM 829 C GLY A 56 8.441 0.472 2.039 1.00 0.00 C ATOM 830 O GLY A 56 9.272 -0.419 2.210 1.00 0.00 O ATOM 0 H GLY A 56 6.674 -1.735 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.312 0.780 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.322 0.611 1.663 1.00 0.00 H new ATOM 834 N GLY A 57 8.519 1.682 2.572 1.00 0.00 N ATOM 835 CA GLY A 57 9.634 2.054 3.427 1.00 0.00 C ATOM 836 C GLY A 57 10.971 1.771 2.738 1.00 0.00 C ATOM 837 O GLY A 57 12.004 1.669 3.398 1.00 0.00 O ATOM 0 H GLY A 57 7.828 2.418 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.567 3.113 3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.579 1.500 4.364 1.00 0.00 H new ATOM 841 N LYS A 58 10.908 1.653 1.420 1.00 0.00 N ATOM 842 CA LYS A 58 12.100 1.384 0.635 1.00 0.00 C ATOM 843 C LYS A 58 12.913 2.673 0.492 1.00 0.00 C ATOM 844 O LYS A 58 12.404 3.681 0.005 1.00 0.00 O ATOM 845 CB LYS A 58 11.728 0.742 -0.703 1.00 0.00 C ATOM 846 CG LYS A 58 12.970 0.510 -1.565 1.00 0.00 C ATOM 847 CD LYS A 58 13.068 -0.952 -2.006 1.00 0.00 C ATOM 848 CE LYS A 58 12.446 -1.150 -3.390 1.00 0.00 C ATOM 849 NZ LYS A 58 13.399 -1.835 -4.292 1.00 0.00 N ATOM 0 H LYS A 58 10.049 1.739 0.876 1.00 0.00 H new ATOM 0 HA LYS A 58 12.735 0.659 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.221 -0.207 -0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.026 1.384 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.934 1.156 -2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.863 0.785 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.113 -1.260 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.561 -1.589 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.531 -1.737 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.167 -0.184 -3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.962 -1.962 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.261 -1.261 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.645 -2.765 -3.896 1.00 0.00 H new ATOM 863 N MET A 59 14.162 2.598 0.927 1.00 0.00 N ATOM 864 CA MET A 59 15.050 3.746 0.854 1.00 0.00 C ATOM 865 C MET A 59 15.582 3.938 -0.568 1.00 0.00 C ATOM 866 O MET A 59 16.306 3.088 -1.084 1.00 0.00 O ATOM 867 CB MET A 59 16.223 3.546 1.816 1.00 0.00 C ATOM 868 CG MET A 59 16.331 4.713 2.799 1.00 0.00 C ATOM 869 SD MET A 59 16.607 6.236 1.910 1.00 0.00 S ATOM 870 CE MET A 59 15.221 7.194 2.500 1.00 0.00 C ATOM 0 H MET A 59 14.580 1.760 1.331 1.00 0.00 H new ATOM 0 HA MET A 59 14.487 4.636 1.134 1.00 0.00 H new ATOM 0 HB2 MET A 59 16.092 2.614 2.366 1.00 0.00 H new ATOM 0 HB3 MET A 59 17.150 3.455 1.250 1.00 0.00 H new ATOM 0 HG2 MET A 59 15.418 4.787 3.390 1.00 0.00 H new ATOM 0 HG3 MET A 59 17.149 4.537 3.497 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.529 7.377 1.678 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.709 6.645 3.290 1.00 0.00 H new ATOM 0 HE3 MET A 59 15.578 8.146 2.893 1.00 0.00 H new ATOM 880 N THR A 60 15.203 5.061 -1.160 1.00 0.00 N ATOM 881 CA THR A 60 15.632 5.375 -2.512 1.00 0.00 C ATOM 882 C THR A 60 16.924 6.195 -2.484 1.00 0.00 C ATOM 883 O THR A 60 17.576 6.297 -1.446 1.00 0.00 O ATOM 884 CB THR A 60 14.478 6.085 -3.222 1.00 0.00 C ATOM 885 OG1 THR A 60 14.198 7.209 -2.391 1.00 0.00 O ATOM 886 CG2 THR A 60 13.184 5.270 -3.195 1.00 0.00 C ATOM 0 H THR A 60 14.604 5.764 -0.728 1.00 0.00 H new ATOM 0 HA THR A 60 15.869 4.470 -3.072 1.00 0.00 H new ATOM 0 HB THR A 60 14.758 6.288 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.508 6.969 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.397 5.819 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.346 4.314 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.885 5.096 -2.161 1.00 0.00 H new ATOM 894 N GLU A 61 17.255 6.758 -3.636 1.00 0.00 N ATOM 895 CA GLU A 61 18.457 7.565 -3.757 1.00 0.00 C ATOM 896 C GLU A 61 18.165 9.015 -3.365 1.00 0.00 C ATOM 897 O GLU A 61 19.076 9.763 -3.014 1.00 0.00 O ATOM 898 CB GLU A 61 19.032 7.486 -5.173 1.00 0.00 C ATOM 899 CG GLU A 61 18.170 8.276 -6.160 1.00 0.00 C ATOM 900 CD GLU A 61 18.442 7.836 -7.599 1.00 0.00 C ATOM 901 OE1 GLU A 61 18.874 6.675 -7.766 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.212 8.671 -8.501 1.00 0.00 O ATOM 0 H GLU A 61 16.711 6.671 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 61 19.207 7.168 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.049 7.878 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.090 6.444 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.116 8.131 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.376 9.341 -6.057 1.00 0.00 H new ATOM 909 N SER A 62 16.890 9.368 -3.437 1.00 0.00 N ATOM 910 CA SER A 62 16.465 10.715 -3.095 1.00 0.00 C ATOM 911 C SER A 62 16.354 10.858 -1.576 1.00 0.00 C ATOM 912 O SER A 62 16.123 11.954 -1.067 1.00 0.00 O ATOM 913 CB SER A 62 15.131 11.058 -3.760 1.00 0.00 C ATOM 914 OG SER A 62 14.069 10.240 -3.278 1.00 0.00 O ATOM 0 H SER A 62 16.137 8.744 -3.727 1.00 0.00 H new ATOM 0 HA SER A 62 17.214 11.415 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.893 12.106 -3.577 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.222 10.936 -4.839 1.00 0.00 H new ATOM 0 HG SER A 62 14.433 9.391 -2.949 1.00 0.00 H new ATOM 920 N GLY A 63 16.523 9.735 -0.894 1.00 0.00 N ATOM 921 CA GLY A 63 16.444 9.721 0.557 1.00 0.00 C ATOM 922 C GLY A 63 14.988 9.692 1.027 1.00 0.00 C ATOM 923 O GLY A 63 14.688 10.083 2.154 1.00 0.00 O ATOM 0 H GLY A 63 16.714 8.828 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.972 8.850 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.943 10.602 0.960 1.00 0.00 H new ATOM 927 N ARG A 64 14.122 9.227 0.139 1.00 0.00 N ATOM 928 CA ARG A 64 12.705 9.142 0.448 1.00 0.00 C ATOM 929 C ARG A 64 12.237 7.686 0.399 1.00 0.00 C ATOM 930 O ARG A 64 12.960 6.814 -0.078 1.00 0.00 O ATOM 931 CB ARG A 64 11.876 9.971 -0.535 1.00 0.00 C ATOM 932 CG ARG A 64 11.663 11.392 -0.011 1.00 0.00 C ATOM 933 CD ARG A 64 10.689 12.165 -0.903 1.00 0.00 C ATOM 934 NE ARG A 64 10.835 13.619 -0.670 1.00 0.00 N ATOM 935 CZ ARG A 64 10.185 14.561 -1.367 1.00 0.00 C ATOM 936 NH1 ARG A 64 9.340 14.207 -2.345 1.00 0.00 N ATOM 937 NH2 ARG A 64 10.380 15.857 -1.087 1.00 0.00 N ATOM 0 H ARG A 64 14.375 8.905 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 64 12.560 9.540 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.380 10.008 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.911 9.491 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.277 11.354 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.618 11.915 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.882 11.935 -1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.665 11.855 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 64 11.470 13.923 0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.192 13.221 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.845 14.924 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.023 16.127 -0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.885 16.574 -1.618 1.00 0.00 H new ATOM 951 N LEU A 65 11.029 7.469 0.899 1.00 0.00 N ATOM 952 CA LEU A 65 10.456 6.134 0.918 1.00 0.00 C ATOM 953 C LEU A 65 9.356 6.041 -0.141 1.00 0.00 C ATOM 954 O LEU A 65 8.528 6.943 -0.262 1.00 0.00 O ATOM 955 CB LEU A 65 9.984 5.774 2.328 1.00 0.00 C ATOM 956 CG LEU A 65 11.043 5.849 3.430 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.395 5.832 4.816 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.081 4.737 3.269 1.00 0.00 C ATOM 0 H LEU A 65 10.432 8.195 1.294 1.00 0.00 H new ATOM 0 HA LEU A 65 11.211 5.391 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.162 6.439 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.581 4.761 2.307 1.00 0.00 H new ATOM 0 HG LEU A 65 11.570 6.798 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.170 5.886 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.726 6.687 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.826 4.910 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.822 4.813 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.587 3.767 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.575 4.837 2.303 1.00 0.00 H new ATOM 970 N CYS A 66 9.383 4.943 -0.881 1.00 0.00 N ATOM 971 CA CYS A 66 8.398 4.720 -1.926 1.00 0.00 C ATOM 972 C CYS A 66 8.066 3.227 -1.963 1.00 0.00 C ATOM 973 O CYS A 66 8.924 2.389 -1.688 1.00 0.00 O ATOM 974 CB CYS A 66 8.889 5.229 -3.283 1.00 0.00 C ATOM 975 SG CYS A 66 8.113 6.842 -3.664 1.00 0.00 S ATOM 0 H CYS A 66 10.072 4.198 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 66 7.494 5.287 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.974 5.332 -3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.646 4.506 -4.062 1.00 0.00 H new ATOM 0 HG CYS A 66 7.889 6.925 -4.942 1.00 0.00 H new ATOM 981 N ALA A 67 6.819 2.939 -2.305 1.00 0.00 N ATOM 982 CA ALA A 67 6.362 1.562 -2.381 1.00 0.00 C ATOM 983 C ALA A 67 6.406 1.094 -3.837 1.00 0.00 C ATOM 984 O ALA A 67 5.952 1.803 -4.734 1.00 0.00 O ATOM 985 CB ALA A 67 4.961 1.454 -1.776 1.00 0.00 C ATOM 0 H ALA A 67 6.110 3.636 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 67 7.017 0.908 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.619 0.421 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.990 1.769 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.275 2.095 -2.330 1.00 0.00 H new ATOM 991 N PHE A 68 6.957 -0.096 -4.028 1.00 0.00 N ATOM 992 CA PHE A 68 7.065 -0.666 -5.360 1.00 0.00 C ATOM 993 C PHE A 68 6.606 -2.125 -5.370 1.00 0.00 C ATOM 994 O PHE A 68 6.808 -2.850 -4.397 1.00 0.00 O ATOM 995 CB PHE A 68 8.543 -0.605 -5.753 1.00 0.00 C ATOM 996 CG PHE A 68 9.224 0.721 -5.409 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.068 1.797 -6.225 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.987 0.823 -4.287 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.701 3.028 -5.906 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.619 2.053 -3.968 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.463 3.130 -4.785 1.00 0.00 C ATOM 0 H PHE A 68 7.333 -0.681 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 68 6.436 -0.111 -6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.075 -1.415 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.631 -0.779 -6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.463 1.716 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.112 -0.032 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.577 3.883 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.224 2.134 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.945 4.066 -4.543 1.00 0.00 H new ATOM 1011 N ILE A 69 5.997 -2.512 -6.482 1.00 0.00 N ATOM 1012 CA ILE A 69 5.508 -3.872 -6.632 1.00 0.00 C ATOM 1013 C ILE A 69 6.697 -4.832 -6.711 1.00 0.00 C ATOM 1014 O ILE A 69 7.691 -4.541 -7.375 1.00 0.00 O ATOM 1015 CB ILE A 69 4.558 -3.971 -7.827 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.346 -3.054 -7.641 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.144 -5.422 -8.081 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.482 -3.025 -8.904 1.00 0.00 C ATOM 0 H ILE A 69 5.831 -1.908 -7.287 1.00 0.00 H new ATOM 0 HA ILE A 69 4.920 -4.163 -5.761 1.00 0.00 H new ATOM 0 HB ILE A 69 5.090 -3.628 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.750 -3.400 -6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.682 -2.045 -7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.469 -5.463 -8.936 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.030 -6.022 -8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.638 -5.816 -7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.628 -2.367 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.074 -2.656 -9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.128 -4.032 -9.126 1.00 0.00 H new ATOM 1030 N THR A 70 6.556 -5.956 -6.025 1.00 0.00 N ATOM 1031 CA THR A 70 7.606 -6.960 -6.009 1.00 0.00 C ATOM 1032 C THR A 70 7.165 -8.205 -6.782 1.00 0.00 C ATOM 1033 O THR A 70 7.929 -8.748 -7.579 1.00 0.00 O ATOM 1034 CB THR A 70 7.965 -7.247 -4.550 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.760 -7.765 -3.992 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.227 -5.969 -3.750 1.00 0.00 C ATOM 0 H THR A 70 5.730 -6.194 -5.476 1.00 0.00 H new ATOM 0 HA THR A 70 8.503 -6.602 -6.515 1.00 0.00 H new ATOM 0 HB THR A 70 8.847 -7.887 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.812 -8.743 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.477 -6.229 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.057 -5.423 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.334 -5.344 -3.759 1.00 0.00 H new ATOM 1044 N LYS A 71 5.935 -8.620 -6.520 1.00 0.00 N ATOM 1045 CA LYS A 71 5.383 -9.791 -7.181 1.00 0.00 C ATOM 1046 C LYS A 71 3.874 -9.611 -7.352 1.00 0.00 C ATOM 1047 O LYS A 71 3.218 -9.005 -6.506 1.00 0.00 O ATOM 1048 CB LYS A 71 5.770 -11.064 -6.427 1.00 0.00 C ATOM 1049 CG LYS A 71 5.341 -12.312 -7.201 1.00 0.00 C ATOM 1050 CD LYS A 71 6.530 -13.245 -7.441 1.00 0.00 C ATOM 1051 CE LYS A 71 6.508 -13.808 -8.863 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.869 -13.802 -9.444 1.00 0.00 N ATOM 0 H LYS A 71 5.304 -8.167 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 71 5.806 -9.900 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.848 -11.083 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.303 -11.064 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.566 -12.840 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.905 -12.020 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.461 -12.703 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.505 -14.064 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.115 -14.825 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.838 -13.215 -9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.836 -14.187 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.230 -12.827 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.499 -14.387 -8.859 1.00 0.00 H new ATOM 1066 N VAL A 72 3.366 -10.149 -8.451 1.00 0.00 N ATOM 1067 CA VAL A 72 1.946 -10.055 -8.743 1.00 0.00 C ATOM 1068 C VAL A 72 1.466 -11.376 -9.348 1.00 0.00 C ATOM 1069 O VAL A 72 1.876 -11.745 -10.447 1.00 0.00 O ATOM 1070 CB VAL A 72 1.676 -8.851 -9.647 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.902 -8.519 -10.500 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.445 -9.089 -10.525 1.00 0.00 C ATOM 0 H VAL A 72 3.913 -10.652 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 72 1.378 -9.891 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 72 1.471 -7.992 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.683 -7.659 -11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.745 -8.285 -9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.153 -9.376 -11.125 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.275 -8.218 -11.158 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.609 -9.966 -11.151 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.427 -9.253 -9.892 1.00 0.00 H new ATOM 1082 N LYS A 73 0.604 -12.052 -8.603 1.00 0.00 N ATOM 1083 CA LYS A 73 0.063 -13.324 -9.053 1.00 0.00 C ATOM 1084 C LYS A 73 -0.556 -13.149 -10.441 1.00 0.00 C ATOM 1085 O LYS A 73 -1.358 -12.242 -10.657 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.907 -13.891 -8.014 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.365 -15.298 -8.402 1.00 0.00 C ATOM 1088 CD LYS A 73 -0.200 -16.288 -8.349 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.675 -17.711 -8.652 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.403 -18.687 -8.375 1.00 0.00 N ATOM 0 H LYS A 73 0.267 -11.743 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 73 0.858 -14.063 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.424 -13.918 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.773 -13.235 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.156 -15.626 -7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.788 -15.282 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.564 -15.995 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.263 -16.258 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.550 -17.945 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.981 -17.784 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.064 -19.647 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.228 -18.472 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.676 -18.628 -7.373 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.159 -14.031 -11.346 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.665 -13.986 -12.707 1.00 0.00 C ATOM 1106 C LYS A 74 -2.033 -14.668 -12.762 1.00 0.00 C ATOM 1107 O LYS A 74 -2.122 -15.894 -12.720 1.00 0.00 O ATOM 1108 CB LYS A 74 0.357 -14.579 -13.679 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.263 -14.799 -15.060 1.00 0.00 C ATOM 1110 CD LYS A 74 0.583 -14.141 -16.152 1.00 0.00 C ATOM 1111 CE LYS A 74 0.576 -14.980 -17.432 1.00 0.00 C ATOM 1112 NZ LYS A 74 -0.048 -14.226 -18.542 1.00 0.00 N ATOM 0 H LYS A 74 0.507 -14.781 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.811 -12.953 -13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.214 -13.911 -13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.729 -15.526 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.351 -15.867 -15.257 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.272 -14.387 -15.079 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.197 -13.144 -16.364 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.607 -14.018 -15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.596 -15.255 -17.699 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.030 -15.908 -17.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.045 -14.809 -19.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.028 -13.985 -18.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.490 -13.352 -18.714 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.067 -13.844 -12.854 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.427 -14.353 -12.914 1.00 0.00 C ATOM 1128 C GLY A 75 -5.231 -13.916 -11.688 1.00 0.00 C ATOM 1129 O GLY A 75 -6.221 -14.553 -11.331 1.00 0.00 O ATOM 0 H GLY A 75 -2.990 -12.827 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.914 -13.993 -13.820 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.409 -15.441 -12.973 1.00 0.00 H new ATOM 1133 N SER A 76 -4.775 -12.832 -11.077 1.00 0.00 N ATOM 1134 CA SER A 76 -5.440 -12.303 -9.899 1.00 0.00 C ATOM 1135 C SER A 76 -5.988 -10.905 -10.191 1.00 0.00 C ATOM 1136 O SER A 76 -5.797 -10.375 -11.285 1.00 0.00 O ATOM 1137 CB SER A 76 -4.487 -12.259 -8.702 1.00 0.00 C ATOM 1138 OG SER A 76 -4.947 -13.069 -7.624 1.00 0.00 O ATOM 0 H SER A 76 -3.954 -12.306 -11.376 1.00 0.00 H new ATOM 0 HA SER A 76 -6.268 -12.966 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.498 -12.597 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.380 -11.229 -8.362 1.00 0.00 H new ATOM 0 HG SER A 76 -5.228 -12.496 -6.881 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.660 -10.347 -9.194 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.238 -9.021 -9.331 1.00 0.00 C ATOM 1146 C LEU A 77 -6.171 -8.056 -9.854 1.00 0.00 C ATOM 1147 O LEU A 77 -6.327 -7.475 -10.927 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.877 -8.576 -8.014 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.252 -9.170 -7.702 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.257 -8.835 -8.805 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.155 -10.677 -7.453 1.00 0.00 C ATOM 0 H LEU A 77 -6.817 -10.789 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.046 -9.031 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.199 -8.832 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.966 -7.490 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.620 -8.715 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.226 -9.269 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.355 -7.753 -8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.907 -9.244 -9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.146 -11.074 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.756 -11.168 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.494 -10.864 -6.607 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.111 -7.915 -9.071 1.00 0.00 N ATOM 1164 CA ALA A 78 -4.020 -7.031 -9.441 1.00 0.00 C ATOM 1165 C ALA A 78 -3.190 -7.688 -10.546 1.00 0.00 C ATOM 1166 O ALA A 78 -1.988 -7.895 -10.385 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.185 -6.703 -8.202 1.00 0.00 C ATOM 0 H ALA A 78 -4.985 -8.399 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.405 -6.090 -9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.366 -6.039 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.814 -6.212 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.779 -7.624 -7.782 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.863 -7.997 -11.644 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.203 -8.626 -12.775 1.00 0.00 C ATOM 1175 C ASP A 79 -4.211 -8.810 -13.911 1.00 0.00 C ATOM 1176 O ASP A 79 -3.964 -8.387 -15.040 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.659 -10.005 -12.398 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.555 -10.538 -13.314 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.412 -10.053 -13.167 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -1.879 -11.418 -14.141 1.00 0.00 O ATOM 0 H ASP A 79 -4.860 -7.823 -11.775 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.377 -7.984 -13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.275 -9.961 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.485 -10.717 -12.397 1.00 0.00 H new ATOM 1185 N THR A 80 -5.326 -9.440 -13.574 1.00 0.00 N ATOM 1186 CA THR A 80 -6.373 -9.685 -14.552 1.00 0.00 C ATOM 1187 C THR A 80 -7.157 -8.400 -14.827 1.00 0.00 C ATOM 1188 O THR A 80 -7.496 -8.109 -15.973 1.00 0.00 O ATOM 1189 CB THR A 80 -7.245 -10.830 -14.034 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.923 -10.270 -12.912 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.420 -11.972 -13.438 1.00 0.00 C ATOM 0 H THR A 80 -5.528 -9.789 -12.637 1.00 0.00 H new ATOM 0 HA THR A 80 -5.955 -9.985 -15.513 1.00 0.00 H new ATOM 0 HB THR A 80 -7.860 -11.213 -14.848 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.325 -10.269 -12.136 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.088 -12.758 -13.086 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.754 -12.376 -14.200 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.829 -11.596 -12.603 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.422 -7.666 -13.756 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.160 -6.419 -13.868 1.00 0.00 C ATOM 1201 C VAL A 81 -7.204 -5.245 -13.646 1.00 0.00 C ATOM 1202 O VAL A 81 -7.318 -4.214 -14.308 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.341 -6.421 -12.895 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.428 -7.394 -13.355 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.879 -6.746 -11.473 1.00 0.00 C ATOM 0 H VAL A 81 -7.139 -7.911 -12.807 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.580 -6.312 -14.868 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.770 -5.419 -12.886 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.256 -7.376 -12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.788 -7.098 -14.341 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.016 -8.402 -13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.738 -6.741 -10.801 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.412 -7.731 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.157 -5.998 -11.145 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.284 -5.440 -12.713 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.310 -4.410 -12.396 1.00 0.00 C ATOM 1217 C GLY A 82 -4.201 -4.361 -13.450 1.00 0.00 C ATOM 1218 O GLY A 82 -3.717 -3.285 -13.796 1.00 0.00 O ATOM 0 H GLY A 82 -6.193 -6.296 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.806 -3.441 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.876 -4.604 -11.415 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.832 -5.539 -13.929 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.790 -5.644 -14.936 1.00 0.00 C ATOM 1224 C HIS A 83 -1.526 -4.937 -14.443 1.00 0.00 C ATOM 1225 O HIS A 83 -0.879 -4.215 -15.200 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.281 -5.110 -16.283 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.481 -5.843 -16.834 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.422 -7.153 -17.276 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.771 -5.435 -17.009 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.628 -7.507 -17.696 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.462 -6.441 -17.530 1.00 0.00 N ATOM 0 H HIS A 83 -4.236 -6.429 -13.639 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.538 -6.692 -15.096 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.531 -4.055 -16.174 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.467 -5.172 -17.005 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.163 -4.459 -16.765 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.902 -8.471 -18.099 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.454 -6.420 -17.767 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.213 -5.168 -13.176 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.039 -4.562 -12.573 1.00 0.00 C ATOM 1241 C LEU A 84 1.203 -5.362 -12.970 1.00 0.00 C ATOM 1242 O LEU A 84 1.119 -6.289 -13.773 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.224 -4.424 -11.060 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.387 -3.539 -10.605 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.023 -4.086 -9.325 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.939 -2.085 -10.446 1.00 0.00 C ATOM 0 H LEU A 84 -1.753 -5.767 -12.551 1.00 0.00 H new ATOM 0 HA LEU A 84 0.101 -3.548 -12.947 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.364 -5.419 -10.639 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.698 -4.025 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.154 -3.557 -11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.847 -3.439 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.400 -5.092 -9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.276 -4.117 -8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.784 -1.477 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.145 -2.028 -9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.569 -1.712 -11.401 1.00 0.00 H new ATOM 1258 N ARG A 85 2.329 -4.973 -12.388 1.00 0.00 N ATOM 1259 CA ARG A 85 3.587 -5.643 -12.671 1.00 0.00 C ATOM 1260 C ARG A 85 4.581 -5.409 -11.531 1.00 0.00 C ATOM 1261 O ARG A 85 4.565 -4.356 -10.896 1.00 0.00 O ATOM 1262 CB ARG A 85 4.196 -5.139 -13.981 1.00 0.00 C ATOM 1263 CG ARG A 85 3.535 -5.810 -15.187 1.00 0.00 C ATOM 1264 CD ARG A 85 3.569 -7.334 -15.053 1.00 0.00 C ATOM 1265 NE ARG A 85 3.484 -7.961 -16.391 1.00 0.00 N ATOM 1266 CZ ARG A 85 2.364 -8.016 -17.125 1.00 0.00 C ATOM 1267 NH1 ARG A 85 1.228 -7.481 -16.656 1.00 0.00 N ATOM 1268 NH2 ARG A 85 2.380 -8.605 -18.328 1.00 0.00 N ATOM 0 H ARG A 85 2.396 -4.203 -11.722 1.00 0.00 H new ATOM 0 HA ARG A 85 3.382 -6.709 -12.765 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.075 -4.058 -14.050 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.267 -5.341 -13.990 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.502 -5.472 -15.275 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.048 -5.510 -16.101 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.488 -7.643 -14.555 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.740 -7.671 -14.431 1.00 0.00 H new ATOM 0 HE ARG A 85 4.331 -8.377 -16.779 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.216 -7.032 -15.740 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.376 -7.523 -17.215 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.245 -9.012 -18.685 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.528 -8.647 -18.887 1.00 0.00 H new ATOM 1282 N PRO A 86 5.444 -6.434 -11.302 1.00 0.00 N ATOM 1283 CA PRO A 86 6.443 -6.350 -10.250 1.00 0.00 C ATOM 1284 C PRO A 86 7.593 -5.428 -10.659 1.00 0.00 C ATOM 1285 O PRO A 86 8.601 -5.886 -11.195 1.00 0.00 O ATOM 1286 CB PRO A 86 6.887 -7.785 -10.014 1.00 0.00 C ATOM 1287 CG PRO A 86 6.467 -8.560 -11.252 1.00 0.00 C ATOM 1288 CD PRO A 86 5.492 -7.696 -12.034 1.00 0.00 C ATOM 0 HA PRO A 86 6.052 -5.912 -9.332 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.965 -7.841 -9.865 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.420 -8.196 -9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.336 -8.804 -11.863 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.000 -9.504 -10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.830 -7.546 -13.059 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.507 -8.160 -12.088 1.00 0.00 H new ATOM 1296 N GLY A 87 7.404 -4.144 -10.389 1.00 0.00 N ATOM 1297 CA GLY A 87 8.414 -3.154 -10.722 1.00 0.00 C ATOM 1298 C GLY A 87 7.840 -1.737 -10.639 1.00 0.00 C ATOM 1299 O GLY A 87 8.563 -0.788 -10.339 1.00 0.00 O ATOM 0 H GLY A 87 6.567 -3.767 -9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.260 -3.248 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.792 -3.339 -11.727 1.00 0.00 H new ATOM 1303 N ASP A 88 6.547 -1.640 -10.910 1.00 0.00 N ATOM 1304 CA ASP A 88 5.869 -0.356 -10.869 1.00 0.00 C ATOM 1305 C ASP A 88 6.096 0.293 -9.503 1.00 0.00 C ATOM 1306 O ASP A 88 6.818 -0.248 -8.667 1.00 0.00 O ATOM 1307 CB ASP A 88 4.361 -0.523 -11.069 1.00 0.00 C ATOM 1308 CG ASP A 88 3.858 -0.224 -12.482 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.524 0.587 -13.162 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.820 -0.813 -12.852 1.00 0.00 O ATOM 0 H ASP A 88 5.951 -2.430 -11.159 1.00 0.00 H new ATOM 0 HA ASP A 88 6.273 0.264 -11.670 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.087 -1.546 -10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.842 0.132 -10.369 1.00 0.00 H new ATOM 1315 N GLU A 89 5.466 1.444 -9.318 1.00 0.00 N ATOM 1316 CA GLU A 89 5.590 2.172 -8.067 1.00 0.00 C ATOM 1317 C GLU A 89 4.230 2.725 -7.637 1.00 0.00 C ATOM 1318 O GLU A 89 3.776 3.742 -8.160 1.00 0.00 O ATOM 1319 CB GLU A 89 6.625 3.293 -8.185 1.00 0.00 C ATOM 1320 CG GLU A 89 6.777 4.041 -6.859 1.00 0.00 C ATOM 1321 CD GLU A 89 7.508 5.370 -7.061 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.198 6.041 -8.069 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.360 5.686 -6.202 1.00 0.00 O ATOM 0 H GLU A 89 4.868 1.890 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 89 5.938 1.480 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.587 2.875 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.324 3.990 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.794 4.225 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.327 3.423 -6.150 1.00 0.00 H new ATOM 1330 N VAL A 90 3.618 2.031 -6.689 1.00 0.00 N ATOM 1331 CA VAL A 90 2.318 2.440 -6.183 1.00 0.00 C ATOM 1332 C VAL A 90 2.486 3.679 -5.300 1.00 0.00 C ATOM 1333 O VAL A 90 3.141 3.621 -4.261 1.00 0.00 O ATOM 1334 CB VAL A 90 1.650 1.273 -5.454 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.584 0.679 -4.398 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.321 1.706 -4.829 1.00 0.00 C ATOM 0 H VAL A 90 3.998 1.188 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 90 1.657 2.714 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 90 1.438 0.496 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.084 -0.149 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.493 0.316 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.841 1.446 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.134 0.858 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.500 2.509 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.351 2.060 -5.611 1.00 0.00 H new ATOM 1346 N LEU A 91 1.884 4.771 -5.748 1.00 0.00 N ATOM 1347 CA LEU A 91 1.958 6.022 -5.012 1.00 0.00 C ATOM 1348 C LEU A 91 0.874 6.039 -3.933 1.00 0.00 C ATOM 1349 O LEU A 91 1.174 6.180 -2.748 1.00 0.00 O ATOM 1350 CB LEU A 91 1.891 7.212 -5.971 1.00 0.00 C ATOM 1351 CG LEU A 91 2.930 7.229 -7.094 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.845 8.526 -7.901 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.337 6.989 -6.542 1.00 0.00 C ATOM 0 H LEU A 91 1.343 4.816 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 91 2.917 6.108 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.899 7.235 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.999 8.128 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 91 2.707 6.410 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.594 8.512 -8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.852 8.615 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.028 9.376 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.057 7.006 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.585 7.771 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.373 6.018 -6.047 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.365 5.894 -4.381 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.495 5.891 -3.469 1.00 0.00 C ATOM 1367 C GLU A 92 -2.150 4.509 -3.440 1.00 0.00 C ATOM 1368 O GLU A 92 -1.958 3.707 -4.352 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.510 6.971 -3.850 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.895 8.367 -3.735 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.720 9.396 -4.510 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -2.696 9.319 -5.758 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -3.357 10.235 -3.838 1.00 0.00 O ATOM 0 H GLU A 92 -0.610 5.778 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.129 6.119 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.857 6.805 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.383 6.900 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.838 8.657 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.875 8.351 -4.118 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.911 4.272 -2.381 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.596 3.000 -2.221 1.00 0.00 C ATOM 1382 C TRP A 93 -4.943 3.270 -1.548 1.00 0.00 C ATOM 1383 O TRP A 93 -5.034 3.298 -0.322 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.729 2.005 -1.446 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.395 0.646 -1.219 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.474 0.369 -0.474 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.978 -0.619 -1.776 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.781 -0.975 -0.509 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.843 -1.595 -1.326 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.905 -0.927 -2.631 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.725 -2.945 -1.678 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.801 -2.281 -2.973 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.663 -3.276 -2.529 1.00 0.00 C ATOM 0 H TRP A 93 -3.068 4.939 -1.626 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.778 2.535 -3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.795 1.855 -1.987 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.472 2.438 -0.479 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -5.033 1.106 0.084 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.554 -1.430 -0.024 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.216 -0.179 -2.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.416 -3.691 -1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.994 -2.572 -3.628 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.515 -4.300 -2.839 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.956 3.462 -2.381 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.294 3.728 -1.882 1.00 0.00 C ATOM 1406 C ASN A 94 -7.344 5.141 -1.296 1.00 0.00 C ATOM 1407 O ASN A 94 -8.147 5.420 -0.407 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.676 2.743 -0.775 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.975 2.010 -1.117 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.762 2.441 -1.943 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -9.153 0.881 -0.437 1.00 0.00 N ATOM 0 H ASN A 94 -5.877 3.439 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.991 3.623 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.873 2.020 -0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.793 3.278 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.989 0.318 -0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.453 0.578 0.241 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.475 5.994 -1.818 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.409 7.370 -1.357 1.00 0.00 C ATOM 1420 C GLY A 95 -5.264 7.561 -0.360 1.00 0.00 C ATOM 1421 O GLY A 95 -4.892 8.690 -0.045 1.00 0.00 O ATOM 0 H GLY A 95 -5.811 5.759 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.269 8.036 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.354 7.646 -0.888 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.738 6.439 0.109 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.643 6.469 1.064 1.00 0.00 C ATOM 1427 C ARG A 96 -2.307 6.625 0.335 1.00 0.00 C ATOM 1428 O ARG A 96 -1.896 5.739 -0.412 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.612 5.191 1.905 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.603 5.275 3.068 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.906 5.734 4.350 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.677 5.290 5.532 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.582 5.850 6.746 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -3.748 6.880 6.944 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.321 5.381 7.760 1.00 0.00 N ATOM 0 H ARG A 96 -5.049 5.504 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.801 7.322 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.854 4.333 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.606 5.030 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.405 5.969 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.064 4.300 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.896 5.326 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.812 6.820 4.354 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.322 4.508 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.186 7.237 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.675 7.307 7.868 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.956 4.597 7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.248 5.807 8.684 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.665 7.758 0.579 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.384 8.042 -0.045 1.00 0.00 C ATOM 1451 C LEU A 97 0.690 7.145 0.575 1.00 0.00 C ATOM 1452 O LEU A 97 0.794 7.049 1.797 1.00 0.00 O ATOM 1453 CB LEU A 97 -0.064 9.535 0.044 1.00 0.00 C ATOM 1454 CG LEU A 97 1.260 9.976 -0.584 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.020 10.792 -1.855 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.122 10.732 0.429 1.00 0.00 C ATOM 0 H LEU A 97 -2.008 8.490 1.201 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.419 7.810 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.872 10.089 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.058 9.823 1.095 1.00 0.00 H new ATOM 0 HG LEU A 97 1.814 9.083 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.977 11.093 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.475 10.186 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.436 11.680 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.057 11.034 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.587 11.617 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.337 10.084 1.279 1.00 0.00 H new ATOM 1468 N LEU A 98 1.460 6.510 -0.296 1.00 0.00 N ATOM 1469 CA LEU A 98 2.522 5.624 0.150 1.00 0.00 C ATOM 1470 C LEU A 98 3.856 6.373 0.110 1.00 0.00 C ATOM 1471 O LEU A 98 4.809 5.986 0.783 1.00 0.00 O ATOM 1472 CB LEU A 98 2.518 4.330 -0.665 1.00 0.00 C ATOM 1473 CG LEU A 98 1.154 3.664 -0.860 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.306 2.277 -1.489 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.376 3.613 0.457 1.00 0.00 C ATOM 0 H LEU A 98 1.370 6.591 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 98 2.357 5.322 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.941 4.541 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.183 3.616 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 98 0.573 4.271 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.322 1.826 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.792 2.369 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.913 1.647 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.590 3.135 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.942 3.041 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.220 4.626 0.827 1.00 0.00 H new ATOM 1487 N GLN A 99 3.880 7.431 -0.688 1.00 0.00 N ATOM 1488 CA GLN A 99 5.081 8.237 -0.825 1.00 0.00 C ATOM 1489 C GLN A 99 5.564 8.707 0.548 1.00 0.00 C ATOM 1490 O GLN A 99 4.884 9.484 1.217 1.00 0.00 O ATOM 1491 CB GLN A 99 4.840 9.425 -1.759 1.00 0.00 C ATOM 1492 CG GLN A 99 5.342 9.122 -3.172 1.00 0.00 C ATOM 1493 CD GLN A 99 5.319 10.380 -4.043 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.343 10.134 -5.350 1.00 0.00 O flip ATOM 1495 NE2 GLN A 99 5.281 11.500 -3.560 1.00 0.00 N flip ATOM 0 H GLN A 99 3.087 7.748 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 99 5.861 7.620 -1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.776 9.658 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.348 10.307 -1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.357 8.727 -3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.720 8.350 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.264 11.618 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.266 12.318 -4.169 1.00 0.00 H new ATOM 1504 N GLY A 100 6.736 8.218 0.927 1.00 0.00 N ATOM 1505 CA GLY A 100 7.318 8.579 2.209 1.00 0.00 C ATOM 1506 C GLY A 100 6.867 7.614 3.307 1.00 0.00 C ATOM 1507 O GLY A 100 7.542 7.466 4.325 1.00 0.00 O ATOM 0 H GLY A 100 7.298 7.575 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.405 8.568 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.026 9.596 2.471 1.00 0.00 H new ATOM 1511 N ALA A 101 5.728 6.982 3.064 1.00 0.00 N ATOM 1512 CA ALA A 101 5.179 6.035 4.020 1.00 0.00 C ATOM 1513 C ALA A 101 6.208 4.936 4.292 1.00 0.00 C ATOM 1514 O ALA A 101 6.873 4.462 3.372 1.00 0.00 O ATOM 1515 CB ALA A 101 3.858 5.478 3.486 1.00 0.00 C ATOM 0 H ALA A 101 5.170 7.107 2.219 1.00 0.00 H new ATOM 0 HA ALA A 101 4.965 6.528 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.446 4.768 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.152 6.295 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.033 4.974 2.536 1.00 0.00 H new ATOM 1521 N THR A 102 6.307 4.562 5.559 1.00 0.00 N ATOM 1522 CA THR A 102 7.244 3.528 5.963 1.00 0.00 C ATOM 1523 C THR A 102 6.712 2.146 5.577 1.00 0.00 C ATOM 1524 O THR A 102 5.557 2.011 5.176 1.00 0.00 O ATOM 1525 CB THR A 102 7.500 3.682 7.464 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.346 3.110 8.074 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.474 5.144 7.915 1.00 0.00 C ATOM 0 H THR A 102 5.754 4.957 6.319 1.00 0.00 H new ATOM 0 HA THR A 102 8.196 3.633 5.443 1.00 0.00 H new ATOM 0 HB THR A 102 8.465 3.242 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.429 3.166 9.049 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.661 5.197 8.988 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.245 5.702 7.384 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.497 5.575 7.695 1.00 0.00 H new ATOM 1535 N PHE A 103 7.581 1.155 5.710 1.00 0.00 N ATOM 1536 CA PHE A 103 7.213 -0.212 5.380 1.00 0.00 C ATOM 1537 C PHE A 103 5.930 -0.624 6.102 1.00 0.00 C ATOM 1538 O PHE A 103 5.093 -1.326 5.537 1.00 0.00 O ATOM 1539 CB PHE A 103 8.360 -1.109 5.849 1.00 0.00 C ATOM 1540 CG PHE A 103 8.110 -2.603 5.632 1.00 0.00 C ATOM 1541 CD1 PHE A 103 7.409 -3.316 6.553 1.00 0.00 C ATOM 1542 CD2 PHE A 103 8.589 -3.217 4.517 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.177 -4.703 6.351 1.00 0.00 C ATOM 1544 CE2 PHE A 103 8.357 -4.604 4.315 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.656 -5.317 5.236 1.00 0.00 C ATOM 0 H PHE A 103 8.539 1.271 6.042 1.00 0.00 H new ATOM 0 HA PHE A 103 7.039 -0.302 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.270 -0.823 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.537 -0.931 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.028 -2.828 7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 103 9.146 -2.650 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.620 -5.270 7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.738 -5.092 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.479 -6.371 5.082 1.00 0.00 H new ATOM 1555 N GLU A 104 5.814 -0.171 7.342 1.00 0.00 N ATOM 1556 CA GLU A 104 4.647 -0.484 8.148 1.00 0.00 C ATOM 1557 C GLU A 104 3.439 0.323 7.668 1.00 0.00 C ATOM 1558 O GLU A 104 2.341 -0.217 7.533 1.00 0.00 O ATOM 1559 CB GLU A 104 4.921 -0.231 9.632 1.00 0.00 C ATOM 1560 CG GLU A 104 5.869 -1.287 10.202 1.00 0.00 C ATOM 1561 CD GLU A 104 5.697 -1.418 11.717 1.00 0.00 C ATOM 1562 OE1 GLU A 104 4.837 -2.230 12.122 1.00 0.00 O ATOM 1563 OE2 GLU A 104 6.429 -0.704 12.435 1.00 0.00 O ATOM 0 H GLU A 104 6.510 0.411 7.808 1.00 0.00 H new ATOM 0 HA GLU A 104 4.422 -1.544 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.355 0.760 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.982 -0.243 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.676 -2.249 9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.900 -1.018 9.971 1.00 0.00 H new ATOM 1570 N GLU A 105 3.681 1.602 7.424 1.00 0.00 N ATOM 1571 CA GLU A 105 2.626 2.489 6.962 1.00 0.00 C ATOM 1572 C GLU A 105 1.975 1.925 5.698 1.00 0.00 C ATOM 1573 O GLU A 105 0.752 1.812 5.623 1.00 0.00 O ATOM 1574 CB GLU A 105 3.164 3.900 6.718 1.00 0.00 C ATOM 1575 CG GLU A 105 3.224 4.697 8.023 1.00 0.00 C ATOM 1576 CD GLU A 105 3.157 6.201 7.751 1.00 0.00 C ATOM 1577 OE1 GLU A 105 2.101 6.639 7.246 1.00 0.00 O ATOM 1578 OE2 GLU A 105 4.163 6.878 8.055 1.00 0.00 O ATOM 0 H GLU A 105 4.592 2.046 7.537 1.00 0.00 H new ATOM 0 HA GLU A 105 1.866 2.555 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.159 3.842 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.527 4.417 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.398 4.404 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.145 4.461 8.555 1.00 0.00 H new ATOM 1585 N VAL A 106 2.820 1.585 4.735 1.00 0.00 N ATOM 1586 CA VAL A 106 2.341 1.036 3.478 1.00 0.00 C ATOM 1587 C VAL A 106 1.532 -0.232 3.756 1.00 0.00 C ATOM 1588 O VAL A 106 0.503 -0.468 3.125 1.00 0.00 O ATOM 1589 CB VAL A 106 3.518 0.798 2.530 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.089 -0.040 1.324 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.138 2.124 2.083 1.00 0.00 C ATOM 0 H VAL A 106 3.834 1.679 4.800 1.00 0.00 H new ATOM 0 HA VAL A 106 1.677 1.743 2.980 1.00 0.00 H new ATOM 0 HB VAL A 106 4.279 0.238 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.944 -0.195 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.715 -1.005 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.302 0.482 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.972 1.927 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.387 2.720 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.497 2.670 2.955 1.00 0.00 H new ATOM 1601 N TYR A 107 2.027 -1.017 4.703 1.00 0.00 N ATOM 1602 CA TYR A 107 1.363 -2.255 5.072 1.00 0.00 C ATOM 1603 C TYR A 107 0.047 -1.975 5.801 1.00 0.00 C ATOM 1604 O TYR A 107 -0.983 -2.563 5.477 1.00 0.00 O ATOM 1605 CB TYR A 107 2.317 -2.977 6.026 1.00 0.00 C ATOM 1606 CG TYR A 107 1.734 -4.250 6.643 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.847 -4.163 7.696 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.096 -5.486 6.145 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.299 -5.361 8.277 1.00 0.00 C ATOM 1610 CE2 TYR A 107 1.548 -6.684 6.726 1.00 0.00 C ATOM 1611 CZ TYR A 107 0.676 -6.563 7.763 1.00 0.00 C ATOM 1612 OH TYR A 107 0.159 -7.695 8.311 1.00 0.00 O ATOM 0 H TYR A 107 2.880 -0.819 5.225 1.00 0.00 H new ATOM 0 HA TYR A 107 1.132 -2.846 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.230 -3.232 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.600 -2.294 6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.564 -3.196 8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 107 2.790 -5.554 5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.396 -5.307 9.102 1.00 0.00 H new ATOM 0 HE2 TYR A 107 1.823 -7.657 6.347 1.00 0.00 H new ATOM 0 HH TYR A 107 0.516 -8.478 7.842 1.00 0.00 H new ATOM 1622 N ASN A 108 0.124 -1.076 6.771 1.00 0.00 N ATOM 1623 CA ASN A 108 -1.048 -0.711 7.548 1.00 0.00 C ATOM 1624 C ASN A 108 -2.204 -0.390 6.599 1.00 0.00 C ATOM 1625 O ASN A 108 -3.364 -0.643 6.921 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.778 0.530 8.402 1.00 0.00 C ATOM 1627 CG ASN A 108 -0.128 0.149 9.733 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.680 -0.587 10.535 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.071 0.691 9.924 1.00 0.00 N ATOM 0 H ASN A 108 0.980 -0.589 7.037 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.296 -1.550 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -0.127 1.215 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.713 1.058 8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.586 0.499 10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.475 1.299 9.211 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.847 0.161 5.449 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.841 0.519 4.451 1.00 0.00 C ATOM 1638 C ILE A 109 -3.498 -0.753 3.912 1.00 0.00 C ATOM 1639 O ILE A 109 -4.652 -1.041 4.226 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.216 1.396 3.363 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.871 2.783 3.909 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.123 1.473 2.133 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.593 3.324 3.264 1.00 0.00 C ATOM 0 H ILE A 109 -0.884 0.368 5.186 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.631 1.121 4.900 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.282 0.933 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.697 3.468 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.743 2.731 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.656 2.102 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.275 0.472 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -4.085 1.900 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.370 4.311 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.236 2.649 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.733 3.398 2.186 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.735 -1.482 3.111 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.228 -2.717 2.526 1.00 0.00 C ATOM 1657 C ILE A 110 -3.905 -3.556 3.612 1.00 0.00 C ATOM 1658 O ILE A 110 -4.907 -4.221 3.353 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.102 -3.451 1.795 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.504 -2.577 0.691 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.585 -4.800 1.259 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.025 -2.604 0.738 1.00 0.00 C ATOM 0 H ILE A 110 -1.778 -1.241 2.853 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.983 -2.505 1.769 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.306 -3.655 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.848 -2.928 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.857 -1.552 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.766 -5.301 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.926 -5.420 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.408 -4.641 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.425 -1.975 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.366 -2.229 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.375 -3.627 0.602 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.331 -3.497 4.804 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.867 -4.242 5.931 1.00 0.00 C ATOM 1676 C LEU A 111 -5.169 -3.588 6.397 1.00 0.00 C ATOM 1677 O LEU A 111 -6.113 -4.278 6.777 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.815 -4.375 7.034 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.261 -5.109 8.300 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -3.998 -4.164 9.251 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.099 -6.342 7.953 1.00 0.00 C ATOM 0 H LEU A 111 -2.500 -2.945 5.015 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.112 -5.261 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.949 -4.894 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.483 -3.375 7.315 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.371 -5.461 8.822 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.304 -4.711 10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.336 -3.346 9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -4.879 -3.761 8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.403 -6.845 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.985 -6.035 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.507 -7.025 7.344 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.177 -2.264 6.352 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.348 -1.509 6.766 1.00 0.00 C ATOM 1695 C GLU A 112 -7.454 -1.627 5.715 1.00 0.00 C ATOM 1696 O GLU A 112 -8.636 -1.521 6.039 1.00 0.00 O ATOM 1697 CB GLU A 112 -5.992 -0.043 7.024 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.436 0.145 8.437 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.410 0.943 9.307 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -6.345 2.189 9.234 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -7.196 0.289 10.025 1.00 0.00 O ATOM 0 H GLU A 112 -4.392 -1.695 6.035 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.716 -1.930 7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.256 0.291 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.877 0.579 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.250 -0.828 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.478 0.662 8.389 1.00 0.00 H new ATOM 1708 N SER A 113 -7.031 -1.845 4.479 1.00 0.00 N ATOM 1709 CA SER A 113 -7.971 -1.979 3.379 1.00 0.00 C ATOM 1710 C SER A 113 -8.331 -3.451 3.175 1.00 0.00 C ATOM 1711 O SER A 113 -8.723 -3.852 2.080 1.00 0.00 O ATOM 1712 CB SER A 113 -7.397 -1.389 2.089 1.00 0.00 C ATOM 1713 OG SER A 113 -7.298 0.031 2.149 1.00 0.00 O ATOM 0 H SER A 113 -6.050 -1.932 4.215 1.00 0.00 H new ATOM 0 HA SER A 113 -8.874 -1.422 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.410 -1.814 1.904 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.029 -1.673 1.248 1.00 0.00 H new ATOM 0 HG SER A 113 -6.783 0.356 1.381 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.186 -4.217 4.246 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.491 -5.637 4.199 1.00 0.00 C ATOM 1721 C LYS A 114 -10.005 -5.825 4.082 1.00 0.00 C ATOM 1722 O LYS A 114 -10.479 -6.559 3.216 1.00 0.00 O ATOM 1723 CB LYS A 114 -7.873 -6.359 5.397 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.534 -6.997 5.022 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.527 -8.491 5.349 1.00 0.00 C ATOM 1726 CE LYS A 114 -5.304 -8.863 6.190 1.00 0.00 C ATOM 1727 NZ LYS A 114 -4.805 -10.204 5.813 1.00 0.00 N ATOM 0 H LYS A 114 -7.861 -3.881 5.153 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.043 -6.093 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.727 -5.654 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.558 -7.127 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.344 -6.853 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.727 -6.500 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.437 -8.753 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.527 -9.069 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.517 -8.122 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.565 -8.850 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.975 -10.441 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.552 -10.910 5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.537 -10.205 4.808 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.742 -5.132 4.991 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.193 -5.215 4.998 1.00 0.00 C ATOM 1743 C PRO A 115 -12.794 -4.410 3.845 1.00 0.00 C ATOM 1744 O PRO A 115 -13.881 -4.726 3.363 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.610 -4.697 6.365 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.420 -3.912 6.894 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.216 -4.253 6.031 1.00 0.00 C ATOM 0 HA PRO A 115 -12.557 -6.231 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.494 -4.063 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.864 -5.520 7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.623 -2.842 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.227 -4.167 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.769 -3.356 5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.439 -4.749 6.613 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.061 -3.385 3.435 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.509 -2.532 2.347 1.00 0.00 C ATOM 1757 C GLU A 116 -13.142 -3.374 1.239 1.00 0.00 C ATOM 1758 O GLU A 116 -12.703 -4.492 0.976 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.355 -1.687 1.803 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.384 -0.275 2.391 1.00 0.00 C ATOM 1761 CD GLU A 116 -11.942 0.728 1.379 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.737 0.488 0.170 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -12.560 1.713 1.838 1.00 0.00 O ATOM 0 H GLU A 116 -11.160 -3.126 3.837 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.265 -1.849 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.405 -2.165 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.420 -1.634 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.995 -0.265 3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.377 0.021 2.685 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.193 -2.790 0.602 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.891 -3.475 -0.472 1.00 0.00 C ATOM 1772 C PRO A 117 -14.063 -3.466 -1.758 1.00 0.00 C ATOM 1773 O PRO A 117 -14.121 -4.411 -2.544 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.214 -2.739 -0.613 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.015 -1.392 0.062 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.741 -1.467 0.887 1.00 0.00 C ATOM 0 HA PRO A 117 -15.058 -4.531 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.482 -2.614 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.023 -3.296 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.941 -0.599 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.868 -1.154 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.041 -0.680 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.950 -1.345 1.950 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.311 -2.390 -1.933 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.471 -2.246 -3.110 1.00 0.00 C ATOM 1786 C GLN A 118 -11.117 -1.645 -2.726 1.00 0.00 C ATOM 1787 O GLN A 118 -10.975 -1.061 -1.653 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.165 -1.398 -4.178 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.234 0.070 -3.753 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.282 0.829 -4.570 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -15.461 0.516 -4.559 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -13.787 1.840 -5.278 1.00 0.00 N ATOM 0 H GLN A 118 -13.266 -1.609 -1.279 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.300 -3.236 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.626 -1.482 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.172 -1.778 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.478 0.134 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.258 0.537 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -12.789 2.048 -5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -14.405 2.408 -5.857 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.157 -1.808 -3.624 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.820 -1.289 -3.393 1.00 0.00 C ATOM 1803 C VAL A 119 -8.334 -0.566 -4.651 1.00 0.00 C ATOM 1804 O VAL A 119 -8.241 -1.167 -5.720 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.888 -2.420 -2.956 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.449 -1.920 -2.811 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.378 -3.063 -1.657 1.00 0.00 C ATOM 0 H VAL A 119 -10.279 -2.292 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.828 -0.561 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.901 -3.184 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.807 -2.744 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.101 -1.531 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.413 -1.129 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.698 -3.864 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.409 -2.311 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.377 -3.472 -1.808 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.036 0.714 -4.482 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.562 1.525 -5.591 1.00 0.00 C ATOM 1819 C GLU A 120 -6.060 1.785 -5.453 1.00 0.00 C ATOM 1820 O GLU A 120 -5.588 2.168 -4.384 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.340 2.839 -5.681 1.00 0.00 C ATOM 1822 CG GLU A 120 -7.731 3.765 -6.736 1.00 0.00 C ATOM 1823 CD GLU A 120 -7.027 4.954 -6.080 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -6.049 4.699 -5.344 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -7.481 6.092 -6.330 1.00 0.00 O ATOM 0 H GLU A 120 -8.114 1.210 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.733 0.976 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.381 2.633 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.336 3.335 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.020 3.209 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.513 4.124 -7.405 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.352 1.567 -6.552 1.00 0.00 N ATOM 1833 CA LEU A 121 -3.914 1.773 -6.567 1.00 0.00 C ATOM 1834 C LEU A 121 -3.569 2.854 -7.594 1.00 0.00 C ATOM 1835 O LEU A 121 -4.385 3.180 -8.455 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.185 0.449 -6.800 1.00 0.00 C ATOM 1837 CG LEU A 121 -2.940 -0.410 -5.558 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.179 -0.440 -4.660 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -2.478 -1.816 -5.945 1.00 0.00 C ATOM 0 H LEU A 121 -5.747 1.250 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.571 2.132 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.760 -0.138 -7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.223 0.664 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.135 0.045 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.979 -1.057 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.422 0.574 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.020 -0.858 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.311 -2.405 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.243 -2.295 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.550 -1.751 -6.513 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.359 3.379 -7.470 1.00 0.00 N ATOM 1852 CA VAL A 122 -1.896 4.416 -8.376 1.00 0.00 C ATOM 1853 C VAL A 122 -0.395 4.245 -8.616 1.00 0.00 C ATOM 1854 O VAL A 122 0.410 4.447 -7.708 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.260 5.796 -7.823 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.129 6.871 -8.903 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -3.666 5.792 -7.220 1.00 0.00 C ATOM 0 H VAL A 122 -1.685 3.105 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.392 4.327 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.555 6.034 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.393 7.842 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.101 6.900 -9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.799 6.639 -9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.899 6.784 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.391 5.521 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.711 5.067 -6.407 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.063 3.874 -9.844 1.00 0.00 N ATOM 1868 CA VAL A 123 1.327 3.673 -10.215 1.00 0.00 C ATOM 1869 C VAL A 123 1.759 4.781 -11.179 1.00 0.00 C ATOM 1870 O VAL A 123 0.975 5.217 -12.020 1.00 0.00 O ATOM 1871 CB VAL A 123 1.517 2.270 -10.794 1.00 0.00 C ATOM 1872 CG1 VAL A 123 1.851 1.263 -9.692 1.00 0.00 C ATOM 1873 CG2 VAL A 123 0.282 1.830 -11.583 1.00 0.00 C ATOM 0 H VAL A 123 -0.733 3.707 -10.595 1.00 0.00 H new ATOM 0 HA VAL A 123 1.969 3.737 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 123 2.360 2.304 -11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.981 0.274 -10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.772 1.563 -9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.038 1.234 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.444 0.829 -11.984 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.586 1.821 -10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.108 2.526 -12.404 1.00 0.00 H new ATOM 1883 N SER A 124 3.004 5.204 -11.023 1.00 0.00 N ATOM 1884 CA SER A 124 3.549 6.253 -11.869 1.00 0.00 C ATOM 1885 C SER A 124 4.634 5.678 -12.782 1.00 0.00 C ATOM 1886 O SER A 124 5.717 5.324 -12.318 1.00 0.00 O ATOM 1887 CB SER A 124 4.116 7.400 -11.029 1.00 0.00 C ATOM 1888 OG SER A 124 4.690 8.422 -11.839 1.00 0.00 O ATOM 0 H SER A 124 3.651 4.840 -10.324 1.00 0.00 H new ATOM 0 HA SER A 124 2.741 6.652 -12.482 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.323 7.827 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.872 7.011 -10.347 1.00 0.00 H new ATOM 0 HG SER A 124 5.039 9.136 -11.266 1.00 0.00 H new ATOM 1894 N ARG A 125 4.305 5.602 -14.063 1.00 0.00 N ATOM 1895 CA ARG A 125 5.238 5.076 -15.045 1.00 0.00 C ATOM 1896 C ARG A 125 6.056 6.213 -15.662 1.00 0.00 C ATOM 1897 O ARG A 125 5.676 7.379 -15.567 1.00 0.00 O ATOM 1898 CB ARG A 125 4.502 4.325 -16.156 1.00 0.00 C ATOM 1899 CG ARG A 125 4.920 2.853 -16.193 1.00 0.00 C ATOM 1900 CD ARG A 125 3.865 2.001 -16.901 1.00 0.00 C ATOM 1901 NE ARG A 125 3.876 0.625 -16.356 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.388 -0.443 -17.002 1.00 0.00 C ATOM 1903 NH1 ARG A 125 2.848 -0.300 -18.219 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.441 -1.653 -16.430 1.00 0.00 N ATOM 0 H ARG A 125 3.405 5.896 -14.444 1.00 0.00 H new ATOM 0 HA ARG A 125 5.904 4.382 -14.532 1.00 0.00 H new ATOM 0 HB2 ARG A 125 3.426 4.397 -15.998 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.715 4.791 -17.118 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.876 2.756 -16.707 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.066 2.487 -15.177 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.878 2.445 -16.769 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.063 1.978 -17.973 1.00 0.00 H new ATOM 0 HE ARG A 125 4.280 0.480 -15.431 1.00 0.00 H new ATOM 0 HH11 ARG A 125 2.808 0.622 -18.654 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.477 -1.113 -18.711 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.853 -1.761 -15.503 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.070 -2.466 -16.921 1.00 0.00 H new ATOM 1918 N SER A 126 7.164 5.833 -16.281 1.00 0.00 N ATOM 1919 CA SER A 126 8.039 6.805 -16.914 1.00 0.00 C ATOM 1920 C SER A 126 7.849 6.771 -18.431 1.00 0.00 C ATOM 1921 O SER A 126 8.346 5.867 -19.102 1.00 0.00 O ATOM 1922 CB SER A 126 9.503 6.544 -16.556 1.00 0.00 C ATOM 1923 OG SER A 126 10.066 5.497 -17.341 1.00 0.00 O ATOM 0 H SER A 126 7.476 4.865 -16.358 1.00 0.00 H new ATOM 0 HA SER A 126 7.774 7.795 -16.544 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.080 7.457 -16.702 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.577 6.285 -15.500 1.00 0.00 H new ATOM 0 HG SER A 126 9.357 5.053 -17.851 1.00 0.00 H new