USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 545 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 16 MET CE :methyl -178:sc= -0.0318 (180deg=-0.0157) USER MOD Set 1.2: A 69 THR OG1 : rot -22:sc= 1.59 USER MOD Set 1.3: A 73 ASN : amide:sc= -0.0206 X(o=1.5,f=1.3) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.0026) USER MOD Single : A 17 SER OG : rot 17:sc= 0.143 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc=-0.00601 (180deg=-0.14) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1 X(o=-1,f=-1.1) USER MOD Single : A 27 CYS SG : rot 160:sc= -0.369 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.58) USER MOD Single : A 42 SER OG : rot 180:sc= -0.226 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 124:sc= -0.0566 (180deg=-0.386) USER MOD Single : A 51 LYS NZ :NH3+ -132:sc= -0.83 (180deg=-2.08!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-0.089) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.209 K(o=-0.21,f=-5.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00322 USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 2.243 -21.802 -24.952 1.00 0.00 N ATOM 198 CA VAL A 10 1.940 -20.422 -24.592 1.00 0.00 C ATOM 199 C VAL A 10 2.833 -19.942 -23.454 1.00 0.00 C ATOM 200 O VAL A 10 3.356 -20.731 -22.667 1.00 0.00 O ATOM 201 CB VAL A 10 0.465 -20.261 -24.177 1.00 0.00 C ATOM 202 CG1 VAL A 10 -0.435 -20.236 -25.402 1.00 0.00 C ATOM 203 CG2 VAL A 10 0.056 -21.376 -23.226 1.00 0.00 C ATOM 0 HA VAL A 10 2.128 -19.815 -25.478 1.00 0.00 H new ATOM 0 HB VAL A 10 0.353 -19.310 -23.656 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.473 -20.122 -25.089 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.155 -19.399 -26.042 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.323 -21.169 -25.955 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.989 -21.247 -22.942 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.182 -22.340 -23.719 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.681 -21.341 -22.334 1.00 0.00 H new ATOM 213 N PRO A 11 3.013 -18.616 -23.362 1.00 0.00 N ATOM 214 CA PRO A 11 3.842 -18.000 -22.322 1.00 0.00 C ATOM 215 C PRO A 11 3.212 -18.109 -20.938 1.00 0.00 C ATOM 216 O PRO A 11 2.213 -17.450 -20.647 1.00 0.00 O ATOM 217 CB PRO A 11 3.926 -16.535 -22.758 1.00 0.00 C ATOM 218 CG PRO A 11 2.700 -16.311 -23.574 1.00 0.00 C ATOM 219 CD PRO A 11 2.420 -17.616 -24.266 1.00 0.00 C ATOM 0 HA PRO A 11 4.812 -18.488 -22.231 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.956 -15.867 -21.897 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.828 -16.346 -23.340 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.861 -16.015 -22.945 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.854 -15.510 -24.298 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.350 -17.779 -24.399 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.873 -17.651 -25.257 1.00 0.00 H new ATOM 227 N ARG A 12 3.801 -18.944 -20.088 1.00 0.00 N ATOM 228 CA ARG A 12 3.296 -19.139 -18.735 1.00 0.00 C ATOM 229 C ARG A 12 3.274 -17.820 -17.967 1.00 0.00 C ATOM 230 O ARG A 12 4.107 -16.944 -18.194 1.00 0.00 O ATOM 231 CB ARG A 12 4.157 -20.161 -17.989 1.00 0.00 C ATOM 232 CG ARG A 12 3.488 -20.730 -16.749 1.00 0.00 C ATOM 233 CD ARG A 12 2.464 -21.796 -17.108 1.00 0.00 C ATOM 234 NE ARG A 12 1.160 -21.218 -17.420 1.00 0.00 N ATOM 235 CZ ARG A 12 0.085 -21.944 -17.708 1.00 0.00 C ATOM 236 NH1 ARG A 12 0.159 -23.267 -17.723 1.00 0.00 N ATOM 237 NH2 ARG A 12 -1.067 -21.345 -17.981 1.00 0.00 N ATOM 0 H ARG A 12 4.629 -19.496 -20.313 1.00 0.00 H new ATOM 0 HA ARG A 12 2.276 -19.516 -18.806 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.404 -20.979 -18.666 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.097 -19.691 -17.701 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.244 -21.157 -16.090 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.000 -19.927 -16.196 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.821 -22.368 -17.964 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.362 -22.495 -16.278 1.00 0.00 H new ATOM 0 HE ARG A 12 1.069 -20.202 -17.417 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.043 -23.731 -17.513 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.668 -23.822 -17.944 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.128 -20.327 -17.970 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.892 -21.903 -18.202 1.00 0.00 H new ATOM 251 N GLY A 13 2.313 -17.686 -17.058 1.00 0.00 N ATOM 252 CA GLY A 13 2.200 -16.472 -16.272 1.00 0.00 C ATOM 253 C GLY A 13 1.139 -15.531 -16.807 1.00 0.00 C ATOM 254 O GLY A 13 0.212 -15.958 -17.497 1.00 0.00 O ATOM 0 H GLY A 13 1.611 -18.397 -16.852 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.964 -16.732 -15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.162 -15.960 -16.260 1.00 0.00 H new ATOM 258 N SER A 14 1.272 -14.248 -16.488 1.00 0.00 N ATOM 259 CA SER A 14 0.313 -13.245 -16.938 1.00 0.00 C ATOM 260 C SER A 14 0.115 -13.322 -18.448 1.00 0.00 C ATOM 261 O SER A 14 1.074 -13.248 -19.217 1.00 0.00 O ATOM 262 CB SER A 14 0.787 -11.844 -16.545 1.00 0.00 C ATOM 263 OG SER A 14 0.103 -10.848 -17.285 1.00 0.00 O ATOM 0 H SER A 14 2.034 -13.878 -15.920 1.00 0.00 H new ATOM 0 HA SER A 14 -0.642 -13.447 -16.453 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.622 -11.687 -15.479 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.860 -11.758 -16.718 1.00 0.00 H new ATOM 0 HG SER A 14 0.423 -9.962 -17.014 1.00 0.00 H new ATOM 269 N HIS A 15 -1.138 -13.471 -18.867 1.00 0.00 N ATOM 270 CA HIS A 15 -1.465 -13.558 -20.286 1.00 0.00 C ATOM 271 C HIS A 15 -2.185 -12.297 -20.756 1.00 0.00 C ATOM 272 O HIS A 15 -2.831 -11.609 -19.966 1.00 0.00 O ATOM 273 CB HIS A 15 -2.333 -14.786 -20.557 1.00 0.00 C ATOM 274 CG HIS A 15 -3.670 -14.735 -19.883 1.00 0.00 C ATOM 275 ND1 HIS A 15 -4.830 -14.380 -20.538 1.00 0.00 N ATOM 276 CD2 HIS A 15 -4.027 -14.999 -18.604 1.00 0.00 C ATOM 277 CE1 HIS A 15 -5.843 -14.426 -19.691 1.00 0.00 C ATOM 278 NE2 HIS A 15 -5.382 -14.799 -18.510 1.00 0.00 N ATOM 0 H HIS A 15 -1.943 -13.534 -18.244 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.533 -13.652 -20.843 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.481 -14.886 -21.632 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.801 -15.677 -20.224 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.368 -15.309 -17.806 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.873 -14.198 -19.924 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.942 -14.919 -17.666 1.00 0.00 H new ATOM 286 N MET A 16 -2.067 -12.000 -22.046 1.00 0.00 N ATOM 287 CA MET A 16 -2.708 -10.823 -22.620 1.00 0.00 C ATOM 288 C MET A 16 -4.001 -11.201 -23.335 1.00 0.00 C ATOM 289 O MET A 16 -4.306 -12.382 -23.502 1.00 0.00 O ATOM 290 CB MET A 16 -1.758 -10.124 -23.595 1.00 0.00 C ATOM 291 CG MET A 16 -0.477 -9.628 -22.945 1.00 0.00 C ATOM 292 SD MET A 16 0.837 -10.862 -22.969 1.00 0.00 S ATOM 293 CE MET A 16 2.231 -9.885 -22.411 1.00 0.00 C ATOM 0 H MET A 16 -1.534 -12.558 -22.713 1.00 0.00 H new ATOM 0 HA MET A 16 -2.951 -10.140 -21.806 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.504 -10.814 -24.400 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.275 -9.280 -24.051 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.136 -8.730 -23.461 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.684 -9.344 -21.913 1.00 0.00 H new ATOM 0 HE1 MET A 16 3.130 -10.502 -22.407 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.374 -9.039 -23.083 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.038 -9.519 -21.403 1.00 0.00 H new ATOM 303 N SER A 17 -4.757 -10.192 -23.754 1.00 0.00 N ATOM 304 CA SER A 17 -6.020 -10.419 -24.448 1.00 0.00 C ATOM 305 C SER A 17 -6.145 -9.506 -25.663 1.00 0.00 C ATOM 306 O SER A 17 -5.941 -8.295 -25.568 1.00 0.00 O ATOM 307 CB SER A 17 -7.197 -10.188 -23.498 1.00 0.00 C ATOM 308 OG SER A 17 -7.362 -8.808 -23.219 1.00 0.00 O ATOM 0 H SER A 17 -4.517 -9.209 -23.625 1.00 0.00 H new ATOM 0 HA SER A 17 -6.037 -11.454 -24.791 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.110 -10.585 -23.942 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.031 -10.733 -22.569 1.00 0.00 H new ATOM 0 HG SER A 17 -6.879 -8.279 -23.888 1.00 0.00 H new ATOM 314 N VAL A 18 -6.480 -10.095 -26.807 1.00 0.00 N ATOM 315 CA VAL A 18 -6.634 -9.335 -28.041 1.00 0.00 C ATOM 316 C VAL A 18 -7.972 -8.605 -28.075 1.00 0.00 C ATOM 317 O VAL A 18 -8.229 -7.800 -28.970 1.00 0.00 O ATOM 318 CB VAL A 18 -6.528 -10.247 -29.278 1.00 0.00 C ATOM 319 CG1 VAL A 18 -7.721 -11.187 -29.353 1.00 0.00 C ATOM 320 CG2 VAL A 18 -6.415 -9.414 -30.546 1.00 0.00 C ATOM 0 H VAL A 18 -6.650 -11.096 -26.904 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.825 -8.605 -28.066 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.625 -10.851 -29.186 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.628 -11.823 -30.233 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.752 -11.808 -28.458 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.640 -10.604 -29.422 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.341 -10.075 -31.410 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.298 -8.783 -30.646 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.525 -8.787 -30.491 1.00 0.00 H new ATOM 330 N ASP A 19 -8.820 -8.891 -27.094 1.00 0.00 N ATOM 331 CA ASP A 19 -10.132 -8.260 -27.009 1.00 0.00 C ATOM 332 C ASP A 19 -10.000 -6.746 -26.885 1.00 0.00 C ATOM 333 O ASP A 19 -10.945 -6.006 -27.160 1.00 0.00 O ATOM 334 CB ASP A 19 -10.913 -8.816 -25.817 1.00 0.00 C ATOM 335 CG ASP A 19 -12.320 -8.257 -25.735 1.00 0.00 C ATOM 336 OD1 ASP A 19 -13.165 -8.655 -26.563 1.00 0.00 O ATOM 337 OD2 ASP A 19 -12.575 -7.420 -24.843 1.00 0.00 O ATOM 0 H ASP A 19 -8.623 -9.556 -26.346 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.676 -8.485 -27.926 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.961 -9.902 -25.892 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.379 -8.584 -24.896 1.00 0.00 H new ATOM 342 N ASP A 20 -8.823 -6.291 -26.469 1.00 0.00 N ATOM 343 CA ASP A 20 -8.568 -4.865 -26.309 1.00 0.00 C ATOM 344 C ASP A 20 -7.803 -4.312 -27.508 1.00 0.00 C ATOM 345 O ASP A 20 -7.872 -3.118 -27.803 1.00 0.00 O ATOM 346 CB ASP A 20 -7.780 -4.607 -25.023 1.00 0.00 C ATOM 347 CG ASP A 20 -7.285 -3.178 -24.924 1.00 0.00 C ATOM 348 OD1 ASP A 20 -8.061 -2.256 -25.252 1.00 0.00 O ATOM 349 OD2 ASP A 20 -6.121 -2.981 -24.517 1.00 0.00 O ATOM 0 H ASP A 20 -8.031 -6.890 -26.237 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.529 -4.354 -26.246 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.411 -4.830 -24.163 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.929 -5.287 -24.979 1.00 0.00 H new ATOM 354 N ILE A 21 -7.074 -5.186 -28.193 1.00 0.00 N ATOM 355 CA ILE A 21 -6.297 -4.785 -29.359 1.00 0.00 C ATOM 356 C ILE A 21 -7.103 -4.956 -30.642 1.00 0.00 C ATOM 357 O ILE A 21 -7.681 -6.015 -30.888 1.00 0.00 O ATOM 358 CB ILE A 21 -4.994 -5.598 -29.473 1.00 0.00 C ATOM 359 CG1 ILE A 21 -4.140 -5.412 -28.218 1.00 0.00 C ATOM 360 CG2 ILE A 21 -4.218 -5.182 -30.714 1.00 0.00 C ATOM 361 CD1 ILE A 21 -2.861 -6.220 -28.232 1.00 0.00 C ATOM 0 H ILE A 21 -7.005 -6.177 -27.961 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.049 -3.732 -29.226 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.248 -6.654 -29.563 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.892 -4.356 -28.110 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.728 -5.692 -27.344 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.300 -5.765 -30.781 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.827 -5.360 -31.600 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.971 -4.122 -30.650 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.306 -6.039 -27.311 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.101 -7.280 -28.308 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.253 -5.924 -29.087 1.00 0.00 H new ATOM 373 N ILE A 22 -7.137 -3.907 -31.457 1.00 0.00 N ATOM 374 CA ILE A 22 -7.869 -3.942 -32.717 1.00 0.00 C ATOM 375 C ILE A 22 -7.026 -3.385 -33.859 1.00 0.00 C ATOM 376 O ILE A 22 -5.843 -3.092 -33.685 1.00 0.00 O ATOM 377 CB ILE A 22 -9.183 -3.142 -32.626 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.886 -1.651 -32.458 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.035 -3.652 -31.473 1.00 0.00 C ATOM 380 CD1 ILE A 22 -10.130 -0.791 -32.393 1.00 0.00 C ATOM 0 H ILE A 22 -6.666 -3.022 -31.267 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.102 -4.988 -32.918 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.741 -3.280 -33.552 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.305 -1.505 -31.548 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.266 -1.316 -33.289 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.960 -3.077 -31.422 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.270 -4.704 -31.632 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.486 -3.540 -30.538 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.844 0.254 -32.273 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.702 -0.908 -33.314 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.741 -1.099 -31.545 1.00 0.00 H new ATOM 392 N ILE A 23 -7.643 -3.241 -35.027 1.00 0.00 N ATOM 393 CA ILE A 23 -6.950 -2.717 -36.197 1.00 0.00 C ATOM 394 C ILE A 23 -6.802 -1.201 -36.114 1.00 0.00 C ATOM 395 O ILE A 23 -7.692 -0.504 -35.626 1.00 0.00 O ATOM 396 CB ILE A 23 -7.690 -3.079 -37.498 1.00 0.00 C ATOM 397 CG1 ILE A 23 -7.808 -4.598 -37.638 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.969 -2.485 -38.700 1.00 0.00 C ATOM 399 CD1 ILE A 23 -8.430 -5.038 -38.944 1.00 0.00 C ATOM 0 H ILE A 23 -8.621 -3.480 -35.188 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.962 -3.176 -36.211 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.695 -2.658 -37.457 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.816 -5.041 -37.550 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.404 -4.986 -36.812 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.504 -2.749 -39.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.932 -1.400 -38.602 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.954 -2.880 -38.747 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.482 -6.126 -38.974 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.435 -4.624 -39.026 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.822 -4.681 -39.775 1.00 0.00 H new ATOM 411 N LYS A 24 -5.671 -0.696 -36.597 1.00 0.00 N ATOM 412 CA LYS A 24 -5.406 0.738 -36.582 1.00 0.00 C ATOM 413 C LYS A 24 -5.456 1.285 -35.159 1.00 0.00 C ATOM 414 O LYS A 24 -6.048 2.336 -34.909 1.00 0.00 O ATOM 415 CB LYS A 24 -6.420 1.474 -37.460 1.00 0.00 C ATOM 416 CG LYS A 24 -6.109 1.397 -38.944 1.00 0.00 C ATOM 417 CD LYS A 24 -7.071 2.243 -39.761 1.00 0.00 C ATOM 418 CE LYS A 24 -6.487 2.598 -41.119 1.00 0.00 C ATOM 419 NZ LYS A 24 -5.406 3.616 -41.010 1.00 0.00 N ATOM 0 H LYS A 24 -4.924 -1.259 -37.003 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.405 0.902 -36.980 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.411 1.057 -37.283 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.456 2.521 -37.159 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.087 1.734 -39.120 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.164 0.360 -39.275 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.007 1.702 -39.897 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.307 3.157 -39.215 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.092 1.698 -41.591 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.278 2.976 -41.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.222 4.029 -41.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.701 4.366 -40.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.539 3.165 -40.654 1.00 0.00 H new ATOM 433 N CYS A 25 -4.832 0.568 -34.231 1.00 0.00 N ATOM 434 CA CYS A 25 -4.806 0.983 -32.833 1.00 0.00 C ATOM 435 C CYS A 25 -3.390 1.354 -32.403 1.00 0.00 C ATOM 436 O CYS A 25 -2.418 1.011 -33.074 1.00 0.00 O ATOM 437 CB CYS A 25 -5.348 -0.132 -31.938 1.00 0.00 C ATOM 438 SG CYS A 25 -6.191 0.459 -30.452 1.00 0.00 S ATOM 0 H CYS A 25 -4.337 -0.303 -34.421 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.441 1.863 -32.729 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.040 -0.744 -32.517 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.522 -0.779 -31.641 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.616 -0.557 -29.761 1.00 0.00 H new ATOM 444 N GLN A 26 -3.284 2.058 -31.281 1.00 0.00 N ATOM 445 CA GLN A 26 -1.987 2.478 -30.763 1.00 0.00 C ATOM 446 C GLN A 26 -1.496 1.520 -29.682 1.00 0.00 C ATOM 447 O GLN A 26 -2.174 1.304 -28.676 1.00 0.00 O ATOM 448 CB GLN A 26 -2.074 3.898 -30.201 1.00 0.00 C ATOM 449 CG GLN A 26 -0.825 4.334 -29.452 1.00 0.00 C ATOM 450 CD GLN A 26 -0.835 5.811 -29.110 1.00 0.00 C ATOM 451 OE1 GLN A 26 -0.721 6.190 -27.944 1.00 0.00 O ATOM 452 NE2 GLN A 26 -0.973 6.654 -30.127 1.00 0.00 N ATOM 0 H GLN A 26 -4.080 2.350 -30.713 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.273 2.464 -31.587 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.257 4.593 -31.020 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.931 3.962 -29.530 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.735 3.753 -28.534 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.053 4.111 -30.058 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.064 6.296 -31.078 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.988 7.660 -29.957 1.00 0.00 H new ATOM 461 N CYS A 27 -0.316 0.949 -29.897 1.00 0.00 N ATOM 462 CA CYS A 27 0.265 0.013 -28.941 1.00 0.00 C ATOM 463 C CYS A 27 1.636 0.491 -28.477 1.00 0.00 C ATOM 464 O CYS A 27 2.541 0.693 -29.287 1.00 0.00 O ATOM 465 CB CYS A 27 0.380 -1.379 -29.565 1.00 0.00 C ATOM 466 SG CYS A 27 1.180 -1.396 -31.187 1.00 0.00 S ATOM 0 H CYS A 27 0.257 1.118 -30.724 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.393 -0.039 -28.074 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.941 -2.024 -28.888 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.618 -1.807 -29.659 1.00 0.00 H new ATOM 0 HG CYS A 27 1.614 -2.594 -31.444 1.00 0.00 H new ATOM 472 N TRP A 28 1.782 0.672 -27.169 1.00 0.00 N ATOM 473 CA TRP A 28 3.044 1.129 -26.597 1.00 0.00 C ATOM 474 C TRP A 28 4.047 -0.016 -26.508 1.00 0.00 C ATOM 475 O TRP A 28 3.716 -1.110 -26.051 1.00 0.00 O ATOM 476 CB TRP A 28 2.811 1.729 -25.209 1.00 0.00 C ATOM 477 CG TRP A 28 2.494 3.193 -25.241 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.254 3.762 -25.302 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.433 4.274 -25.214 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.366 5.132 -25.315 1.00 0.00 N ATOM 481 CE2 TRP A 28 2.692 5.471 -25.261 1.00 0.00 C ATOM 482 CE3 TRP A 28 4.827 4.347 -25.153 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.300 6.723 -25.250 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.429 5.591 -25.143 1.00 0.00 C ATOM 485 CH2 TRP A 28 4.666 6.765 -25.190 1.00 0.00 C ATOM 0 H TRP A 28 1.043 0.510 -26.485 1.00 0.00 H new ATOM 0 HA TRP A 28 3.455 1.897 -27.252 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.992 1.198 -24.724 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.700 1.570 -24.598 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.323 3.216 -25.335 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.588 5.790 -25.358 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.423 3.447 -25.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.714 7.629 -25.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.506 5.659 -25.098 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.166 7.722 -25.179 1.00 0.00 H new ATOM 496 N VAL A 29 5.275 0.244 -26.946 1.00 0.00 N ATOM 497 CA VAL A 29 6.327 -0.765 -26.915 1.00 0.00 C ATOM 498 C VAL A 29 7.250 -0.559 -25.719 1.00 0.00 C ATOM 499 O VAL A 29 7.991 0.421 -25.656 1.00 0.00 O ATOM 500 CB VAL A 29 7.166 -0.742 -28.206 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.239 -1.819 -28.165 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.272 -0.915 -29.425 1.00 0.00 C ATOM 0 H VAL A 29 5.566 1.145 -27.326 1.00 0.00 H new ATOM 0 HA VAL A 29 5.834 -1.733 -26.828 1.00 0.00 H new ATOM 0 HB VAL A 29 7.660 0.227 -28.280 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.822 -1.787 -29.086 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.897 -1.645 -27.313 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.769 -2.797 -28.067 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.881 -0.896 -30.329 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.749 -1.869 -29.360 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.545 -0.104 -29.461 1.00 0.00 H new ATOM 512 N GLN A 30 7.199 -1.490 -24.772 1.00 0.00 N ATOM 513 CA GLN A 30 8.031 -1.410 -23.577 1.00 0.00 C ATOM 514 C GLN A 30 9.353 -2.142 -23.784 1.00 0.00 C ATOM 515 O GLN A 30 9.429 -3.362 -23.636 1.00 0.00 O ATOM 516 CB GLN A 30 7.291 -1.999 -22.374 1.00 0.00 C ATOM 517 CG GLN A 30 6.315 -1.030 -21.726 1.00 0.00 C ATOM 518 CD GLN A 30 5.489 -1.678 -20.632 1.00 0.00 C ATOM 519 OE1 GLN A 30 5.986 -2.512 -19.875 1.00 0.00 O ATOM 520 NE2 GLN A 30 4.220 -1.297 -20.544 1.00 0.00 N ATOM 0 H GLN A 30 6.591 -2.308 -24.809 1.00 0.00 H new ATOM 0 HA GLN A 30 8.245 -0.359 -23.384 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.749 -2.890 -22.692 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.021 -2.319 -21.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.868 -0.188 -21.309 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.649 -0.627 -22.489 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.850 -0.602 -21.193 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.615 -1.699 -19.828 1.00 0.00 H new ATOM 529 N LYS A 31 10.393 -1.389 -24.126 1.00 0.00 N ATOM 530 CA LYS A 31 11.713 -1.964 -24.353 1.00 0.00 C ATOM 531 C LYS A 31 12.412 -2.260 -23.030 1.00 0.00 C ATOM 532 O LYS A 31 11.998 -1.776 -21.977 1.00 0.00 O ATOM 533 CB LYS A 31 12.569 -1.014 -25.194 1.00 0.00 C ATOM 534 CG LYS A 31 13.493 -1.727 -26.166 1.00 0.00 C ATOM 535 CD LYS A 31 14.941 -1.661 -25.709 1.00 0.00 C ATOM 536 CE LYS A 31 15.702 -2.923 -26.086 1.00 0.00 C ATOM 537 NZ LYS A 31 15.966 -2.995 -27.550 1.00 0.00 N ATOM 0 H LYS A 31 10.347 -0.378 -24.252 1.00 0.00 H new ATOM 0 HA LYS A 31 11.585 -2.902 -24.894 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.913 -0.346 -25.753 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.166 -0.391 -24.528 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.188 -2.769 -26.262 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.401 -1.276 -27.154 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.426 -0.794 -26.158 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.977 -1.522 -24.628 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.648 -2.952 -25.545 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.130 -3.798 -25.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.486 -3.869 -27.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.063 -2.993 -28.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.533 -2.173 -27.841 1.00 0.00 H new ATOM 551 N ASN A 32 13.475 -3.056 -23.092 1.00 0.00 N ATOM 552 CA ASN A 32 14.232 -3.414 -21.899 1.00 0.00 C ATOM 553 C ASN A 32 14.624 -2.169 -21.109 1.00 0.00 C ATOM 554 O ASN A 32 14.240 -2.010 -19.950 1.00 0.00 O ATOM 555 CB ASN A 32 15.485 -4.204 -22.282 1.00 0.00 C ATOM 556 CG ASN A 32 15.183 -5.334 -23.247 1.00 0.00 C ATOM 557 OD1 ASN A 32 14.096 -5.910 -23.225 1.00 0.00 O ATOM 558 ND2 ASN A 32 16.148 -5.657 -24.100 1.00 0.00 N ATOM 0 H ASN A 32 13.831 -3.465 -23.956 1.00 0.00 H new ATOM 0 HA ASN A 32 13.596 -4.037 -21.270 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.213 -3.529 -22.733 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.944 -4.612 -21.381 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.003 -6.410 -24.773 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.034 -5.152 -24.083 1.00 0.00 H new ATOM 565 N ASP A 33 15.390 -1.289 -21.744 1.00 0.00 N ATOM 566 CA ASP A 33 15.833 -0.057 -21.102 1.00 0.00 C ATOM 567 C ASP A 33 15.430 1.161 -21.928 1.00 0.00 C ATOM 568 O ASP A 33 16.014 2.235 -21.792 1.00 0.00 O ATOM 569 CB ASP A 33 17.349 -0.076 -20.904 1.00 0.00 C ATOM 570 CG ASP A 33 17.769 -0.938 -19.731 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.283 -2.085 -19.632 1.00 0.00 O ATOM 572 OD2 ASP A 33 18.585 -0.468 -18.911 1.00 0.00 O ATOM 0 H ASP A 33 15.717 -1.406 -22.703 1.00 0.00 H new ATOM 0 HA ASP A 33 15.349 0.011 -20.128 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.826 -0.445 -21.812 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.705 0.942 -20.748 1.00 0.00 H new ATOM 577 N GLU A 34 14.429 0.985 -22.784 1.00 0.00 N ATOM 578 CA GLU A 34 13.950 2.069 -23.633 1.00 0.00 C ATOM 579 C GLU A 34 12.428 2.046 -23.739 1.00 0.00 C ATOM 580 O GLU A 34 11.776 1.125 -23.248 1.00 0.00 O ATOM 581 CB GLU A 34 14.571 1.967 -25.028 1.00 0.00 C ATOM 582 CG GLU A 34 16.030 2.387 -25.077 1.00 0.00 C ATOM 583 CD GLU A 34 16.204 3.892 -25.121 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.295 4.512 -24.041 1.00 0.00 O ATOM 585 OE2 GLU A 34 16.248 4.451 -26.237 1.00 0.00 O ATOM 0 H GLU A 34 13.934 0.102 -22.908 1.00 0.00 H new ATOM 0 HA GLU A 34 14.251 3.012 -23.177 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.486 0.939 -25.380 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.999 2.589 -25.717 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.547 1.991 -24.203 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.502 1.945 -25.955 1.00 0.00 H new ATOM 592 N GLU A 35 11.870 3.067 -24.382 1.00 0.00 N ATOM 593 CA GLU A 35 10.425 3.164 -24.551 1.00 0.00 C ATOM 594 C GLU A 35 10.073 3.673 -25.946 1.00 0.00 C ATOM 595 O GLU A 35 10.500 4.755 -26.350 1.00 0.00 O ATOM 596 CB GLU A 35 9.826 4.092 -23.492 1.00 0.00 C ATOM 597 CG GLU A 35 8.424 3.698 -23.059 1.00 0.00 C ATOM 598 CD GLU A 35 7.985 4.403 -21.791 1.00 0.00 C ATOM 599 OE1 GLU A 35 8.848 5.000 -21.114 1.00 0.00 O ATOM 600 OE2 GLU A 35 6.777 4.358 -21.475 1.00 0.00 O ATOM 0 H GLU A 35 12.396 3.838 -24.794 1.00 0.00 H new ATOM 0 HA GLU A 35 10.004 2.166 -24.430 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.478 4.101 -22.618 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.804 5.109 -23.883 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.722 3.929 -23.860 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.386 2.620 -22.903 1.00 0.00 H new ATOM 607 N ARG A 36 9.292 2.885 -26.678 1.00 0.00 N ATOM 608 CA ARG A 36 8.884 3.254 -28.028 1.00 0.00 C ATOM 609 C ARG A 36 7.378 3.081 -28.207 1.00 0.00 C ATOM 610 O ARG A 36 6.683 2.623 -27.300 1.00 0.00 O ATOM 611 CB ARG A 36 9.632 2.407 -29.059 1.00 0.00 C ATOM 612 CG ARG A 36 11.129 2.666 -29.089 1.00 0.00 C ATOM 613 CD ARG A 36 11.484 3.772 -30.070 1.00 0.00 C ATOM 614 NE ARG A 36 12.895 3.739 -30.445 1.00 0.00 N ATOM 615 CZ ARG A 36 13.867 4.246 -29.695 1.00 0.00 C ATOM 616 NH1 ARG A 36 13.582 4.821 -28.535 1.00 0.00 N ATOM 617 NH2 ARG A 36 15.128 4.177 -30.104 1.00 0.00 N ATOM 0 H ARG A 36 8.929 1.987 -26.359 1.00 0.00 H new ATOM 0 HA ARG A 36 9.132 4.304 -28.182 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.459 1.352 -28.845 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.218 2.604 -30.048 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.472 2.939 -28.091 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.652 1.751 -29.366 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.869 3.674 -30.965 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.249 4.739 -29.626 1.00 0.00 H new ATOM 0 HE ARG A 36 13.148 3.303 -31.332 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.614 4.875 -28.217 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.330 5.210 -27.961 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.352 3.734 -30.995 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.873 4.567 -29.527 1.00 0.00 H new ATOM 631 N LEU A 37 6.882 3.450 -29.383 1.00 0.00 N ATOM 632 CA LEU A 37 5.458 3.337 -29.682 1.00 0.00 C ATOM 633 C LEU A 37 5.240 2.841 -31.107 1.00 0.00 C ATOM 634 O LEU A 37 5.945 3.246 -32.031 1.00 0.00 O ATOM 635 CB LEU A 37 4.767 4.687 -29.487 1.00 0.00 C ATOM 636 CG LEU A 37 3.248 4.645 -29.315 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.749 5.926 -28.664 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.565 4.424 -30.657 1.00 0.00 C ATOM 0 H LEU A 37 7.444 3.830 -30.145 1.00 0.00 H new ATOM 0 HA LEU A 37 5.023 2.612 -28.994 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.199 5.170 -28.610 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.998 5.318 -30.345 1.00 0.00 H new ATOM 0 HG LEU A 37 2.998 3.809 -28.662 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.666 5.878 -28.550 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.213 6.041 -27.684 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.010 6.778 -29.291 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.485 4.397 -30.515 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.822 5.238 -31.334 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.899 3.478 -31.084 1.00 0.00 H new ATOM 650 N ALA A 38 4.256 1.965 -31.279 1.00 0.00 N ATOM 651 CA ALA A 38 3.941 1.417 -32.593 1.00 0.00 C ATOM 652 C ALA A 38 2.433 1.341 -32.809 1.00 0.00 C ATOM 653 O ALA A 38 1.653 1.583 -31.889 1.00 0.00 O ATOM 654 CB ALA A 38 4.570 0.042 -32.756 1.00 0.00 C ATOM 0 H ALA A 38 3.663 1.619 -30.525 1.00 0.00 H new ATOM 0 HA ALA A 38 4.356 2.085 -33.347 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.327 -0.355 -33.742 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.652 0.123 -32.654 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.183 -0.629 -31.989 1.00 0.00 H new ATOM 660 N GLU A 39 2.031 1.004 -34.031 1.00 0.00 N ATOM 661 CA GLU A 39 0.616 0.898 -34.367 1.00 0.00 C ATOM 662 C GLU A 39 0.272 -0.513 -34.833 1.00 0.00 C ATOM 663 O GLU A 39 1.154 -1.288 -35.206 1.00 0.00 O ATOM 664 CB GLU A 39 0.250 1.910 -35.454 1.00 0.00 C ATOM 665 CG GLU A 39 -1.172 2.433 -35.345 1.00 0.00 C ATOM 666 CD GLU A 39 -1.534 3.378 -36.474 1.00 0.00 C ATOM 667 OE1 GLU A 39 -0.615 3.821 -37.194 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.736 3.676 -36.638 1.00 0.00 O ATOM 0 H GLU A 39 2.665 0.800 -34.804 1.00 0.00 H new ATOM 0 HA GLU A 39 0.038 1.116 -33.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.942 2.751 -35.404 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.383 1.445 -36.431 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.865 1.592 -35.344 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.294 2.948 -34.392 1.00 0.00 H new ATOM 675 N ILE A 40 -1.015 -0.841 -34.809 1.00 0.00 N ATOM 676 CA ILE A 40 -1.476 -2.158 -35.230 1.00 0.00 C ATOM 677 C ILE A 40 -2.113 -2.101 -36.615 1.00 0.00 C ATOM 678 O ILE A 40 -2.994 -1.280 -36.872 1.00 0.00 O ATOM 679 CB ILE A 40 -2.494 -2.743 -34.233 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.872 -2.851 -32.840 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.980 -4.104 -34.710 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.686 -3.789 -32.779 1.00 0.00 C ATOM 0 H ILE A 40 -1.758 -0.213 -34.502 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.599 -2.804 -35.263 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.351 -2.072 -34.176 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.558 -1.860 -32.513 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.632 -3.193 -32.137 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.699 -4.505 -33.995 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.457 -3.999 -35.684 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.133 -4.785 -34.793 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.296 -3.816 -31.762 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.999 -4.790 -33.075 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.092 -3.437 -33.457 1.00 0.00 H new ATOM 694 N LEU A 41 -1.662 -2.980 -37.503 1.00 0.00 N ATOM 695 CA LEU A 41 -2.189 -3.033 -38.862 1.00 0.00 C ATOM 696 C LEU A 41 -3.127 -4.222 -39.038 1.00 0.00 C ATOM 697 O LEU A 41 -4.115 -4.144 -39.768 1.00 0.00 O ATOM 698 CB LEU A 41 -1.042 -3.120 -39.871 1.00 0.00 C ATOM 699 CG LEU A 41 -0.163 -1.875 -39.998 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.897 -2.077 -41.069 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.013 -0.652 -40.311 1.00 0.00 C ATOM 0 H LEU A 41 -0.933 -3.666 -37.306 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.755 -2.119 -39.041 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.407 -3.962 -39.597 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.463 -3.344 -40.851 1.00 0.00 H new ATOM 0 HG LEU A 41 0.339 -1.710 -39.045 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.513 -1.181 -41.145 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.525 -2.927 -40.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.414 -2.268 -42.027 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.371 0.225 -40.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.543 -0.808 -41.251 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.734 -0.495 -39.509 1.00 0.00 H new ATOM 713 N SER A 42 -2.812 -5.322 -38.362 1.00 0.00 N ATOM 714 CA SER A 42 -3.626 -6.529 -38.444 1.00 0.00 C ATOM 715 C SER A 42 -3.181 -7.556 -37.407 1.00 0.00 C ATOM 716 O SER A 42 -2.112 -7.428 -36.809 1.00 0.00 O ATOM 717 CB SER A 42 -3.540 -7.134 -39.846 1.00 0.00 C ATOM 718 OG SER A 42 -4.318 -8.315 -39.942 1.00 0.00 O ATOM 0 H SER A 42 -1.999 -5.402 -37.751 1.00 0.00 H new ATOM 0 HA SER A 42 -4.660 -6.254 -38.238 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.885 -6.407 -40.581 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.501 -7.359 -40.085 1.00 0.00 H new ATOM 0 HG SER A 42 -4.247 -8.681 -40.848 1.00 0.00 H new ATOM 724 N ILE A 43 -4.009 -8.575 -37.199 1.00 0.00 N ATOM 725 CA ILE A 43 -3.701 -9.624 -36.236 1.00 0.00 C ATOM 726 C ILE A 43 -3.836 -11.006 -36.866 1.00 0.00 C ATOM 727 O ILE A 43 -4.781 -11.272 -37.607 1.00 0.00 O ATOM 728 CB ILE A 43 -4.621 -9.544 -35.002 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.716 -8.100 -34.504 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.108 -10.458 -33.899 1.00 0.00 C ATOM 731 CD1 ILE A 43 -3.372 -7.476 -34.200 1.00 0.00 C ATOM 0 H ILE A 43 -4.898 -8.696 -37.685 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.669 -9.469 -35.921 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.619 -9.877 -35.288 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.225 -7.498 -35.256 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.331 -8.074 -33.605 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.768 -10.391 -33.034 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.086 -11.486 -34.259 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.102 -10.153 -33.612 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.516 -6.453 -33.852 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.869 -8.055 -33.426 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.761 -7.470 -35.103 1.00 0.00 H new ATOM 743 N ASN A 44 -2.883 -11.883 -36.566 1.00 0.00 N ATOM 744 CA ASN A 44 -2.895 -13.239 -37.103 1.00 0.00 C ATOM 745 C ASN A 44 -3.230 -14.252 -36.013 1.00 0.00 C ATOM 746 O ASN A 44 -2.636 -14.240 -34.934 1.00 0.00 O ATOM 747 CB ASN A 44 -1.540 -13.574 -37.728 1.00 0.00 C ATOM 748 CG ASN A 44 -1.537 -13.394 -39.234 1.00 0.00 C ATOM 749 OD1 ASN A 44 -2.094 -14.210 -39.969 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.908 -12.321 -39.700 1.00 0.00 N ATOM 0 H ASN A 44 -2.093 -11.679 -35.954 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.665 -13.292 -37.873 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.773 -12.938 -37.287 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.277 -14.604 -37.487 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.873 -12.147 -40.704 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.460 -11.671 -39.054 1.00 0.00 H new ATOM 757 N THR A 45 -4.185 -15.131 -36.302 1.00 0.00 N ATOM 758 CA THR A 45 -4.599 -16.151 -35.347 1.00 0.00 C ATOM 759 C THR A 45 -4.229 -17.546 -35.838 1.00 0.00 C ATOM 760 O THR A 45 -5.017 -18.485 -35.720 1.00 0.00 O ATOM 761 CB THR A 45 -6.117 -16.096 -35.089 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.830 -16.307 -36.313 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.515 -14.756 -34.489 1.00 0.00 C ATOM 0 H THR A 45 -4.686 -15.157 -37.190 1.00 0.00 H new ATOM 0 HA THR A 45 -4.072 -15.945 -34.416 1.00 0.00 H new ATOM 0 HB THR A 45 -6.372 -16.884 -34.380 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.794 -16.272 -36.140 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.591 -14.740 -34.315 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.993 -14.611 -33.543 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.247 -13.955 -35.178 1.00 0.00 H new ATOM 771 N ARG A 46 -3.027 -17.675 -36.389 1.00 0.00 N ATOM 772 CA ARG A 46 -2.553 -18.956 -36.899 1.00 0.00 C ATOM 773 C ARG A 46 -1.769 -19.710 -35.829 1.00 0.00 C ATOM 774 O ARG A 46 -1.660 -20.936 -35.872 1.00 0.00 O ATOM 775 CB ARG A 46 -1.677 -18.745 -38.135 1.00 0.00 C ATOM 776 CG ARG A 46 -1.519 -19.992 -38.990 1.00 0.00 C ATOM 777 CD ARG A 46 -2.656 -20.129 -39.990 1.00 0.00 C ATOM 778 NE ARG A 46 -2.617 -21.410 -40.691 1.00 0.00 N ATOM 779 CZ ARG A 46 -3.664 -21.940 -41.312 1.00 0.00 C ATOM 780 NH1 ARG A 46 -4.827 -21.303 -41.320 1.00 0.00 N ATOM 781 NH2 ARG A 46 -3.550 -23.110 -41.928 1.00 0.00 N ATOM 0 H ARG A 46 -2.363 -16.908 -36.494 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.422 -19.552 -37.176 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.108 -17.950 -38.744 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.691 -18.405 -37.817 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.568 -19.952 -39.522 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.489 -20.873 -38.349 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.609 -20.029 -39.471 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.601 -19.317 -40.715 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.737 -21.926 -40.704 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.919 -20.403 -40.848 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.630 -21.713 -41.798 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.657 -23.603 -41.925 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.355 -23.516 -42.405 1.00 0.00 H new ATOM 795 N LYS A 47 -1.223 -18.969 -34.870 1.00 0.00 N ATOM 796 CA LYS A 47 -0.449 -19.566 -33.789 1.00 0.00 C ATOM 797 C LYS A 47 -1.093 -19.279 -32.436 1.00 0.00 C ATOM 798 O LYS A 47 -2.088 -18.560 -32.352 1.00 0.00 O ATOM 799 CB LYS A 47 0.986 -19.034 -33.806 1.00 0.00 C ATOM 800 CG LYS A 47 1.871 -19.704 -34.843 1.00 0.00 C ATOM 801 CD LYS A 47 3.326 -19.722 -34.406 1.00 0.00 C ATOM 802 CE LYS A 47 3.565 -20.745 -33.306 1.00 0.00 C ATOM 803 NZ LYS A 47 3.339 -22.137 -33.785 1.00 0.00 N ATOM 0 H LYS A 47 -1.303 -17.953 -34.820 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.431 -20.645 -33.942 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.965 -17.961 -33.998 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.428 -19.173 -32.819 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.528 -20.725 -35.011 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.782 -19.178 -35.793 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.961 -19.951 -35.262 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.613 -18.732 -34.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.586 -20.649 -32.937 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.901 -20.537 -32.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.194 -22.705 -33.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.538 -22.556 -33.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.127 -22.124 -34.803 1.00 0.00 H new ATOM 817 N ALA A 48 -0.517 -19.843 -31.380 1.00 0.00 N ATOM 818 CA ALA A 48 -1.032 -19.644 -30.031 1.00 0.00 C ATOM 819 C ALA A 48 0.102 -19.425 -29.036 1.00 0.00 C ATOM 820 O ALA A 48 0.916 -20.312 -28.780 1.00 0.00 O ATOM 821 CB ALA A 48 -1.883 -20.834 -29.610 1.00 0.00 C ATOM 0 H ALA A 48 0.307 -20.442 -31.433 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.654 -18.749 -30.035 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.261 -20.672 -28.601 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.721 -20.944 -30.298 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.277 -21.740 -29.629 1.00 0.00 H new ATOM 827 N PRO A 49 0.161 -18.214 -28.462 1.00 0.00 N ATOM 828 CA PRO A 49 -0.802 -17.149 -28.760 1.00 0.00 C ATOM 829 C PRO A 49 -0.637 -16.596 -30.171 1.00 0.00 C ATOM 830 O PRO A 49 0.350 -16.864 -30.857 1.00 0.00 O ATOM 831 CB PRO A 49 -0.474 -16.073 -27.722 1.00 0.00 C ATOM 832 CG PRO A 49 0.956 -16.306 -27.375 1.00 0.00 C ATOM 833 CD PRO A 49 1.171 -17.791 -27.478 1.00 0.00 C ATOM 0 HA PRO A 49 -1.831 -17.506 -28.714 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.625 -15.073 -28.127 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.114 -16.161 -26.844 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.615 -15.768 -28.056 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.177 -15.949 -26.369 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.181 -18.029 -27.811 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.028 -18.285 -26.517 1.00 0.00 H new ATOM 841 N PRO A 50 -1.623 -15.805 -30.617 1.00 0.00 N ATOM 842 CA PRO A 50 -1.609 -15.196 -31.951 1.00 0.00 C ATOM 843 C PRO A 50 -0.546 -14.110 -32.081 1.00 0.00 C ATOM 844 O PRO A 50 0.054 -13.693 -31.091 1.00 0.00 O ATOM 845 CB PRO A 50 -3.009 -14.592 -32.081 1.00 0.00 C ATOM 846 CG PRO A 50 -3.448 -14.347 -30.678 1.00 0.00 C ATOM 847 CD PRO A 50 -2.829 -15.442 -29.854 1.00 0.00 C ATOM 0 HA PRO A 50 -1.370 -15.922 -32.728 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.989 -13.667 -32.657 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.688 -15.273 -32.595 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.121 -13.366 -30.332 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.535 -14.367 -30.600 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.581 -15.098 -28.850 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.504 -16.291 -29.742 1.00 0.00 H new ATOM 855 N LYS A 51 -0.319 -13.656 -33.309 1.00 0.00 N ATOM 856 CA LYS A 51 0.670 -12.617 -33.569 1.00 0.00 C ATOM 857 C LYS A 51 0.000 -11.255 -33.726 1.00 0.00 C ATOM 858 O LYS A 51 -1.226 -11.148 -33.691 1.00 0.00 O ATOM 859 CB LYS A 51 1.471 -12.951 -34.830 1.00 0.00 C ATOM 860 CG LYS A 51 2.708 -13.790 -34.560 1.00 0.00 C ATOM 861 CD LYS A 51 2.347 -15.239 -34.277 1.00 0.00 C ATOM 862 CE LYS A 51 1.963 -15.977 -35.550 1.00 0.00 C ATOM 863 NZ LYS A 51 0.493 -15.955 -35.782 1.00 0.00 N ATOM 0 H LYS A 51 -0.807 -13.991 -34.140 1.00 0.00 H new ATOM 0 HA LYS A 51 1.347 -12.573 -32.716 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.826 -13.484 -35.529 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.771 -12.023 -35.316 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.377 -13.742 -35.420 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.251 -13.377 -33.710 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.192 -15.740 -33.806 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.519 -15.277 -33.569 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.472 -15.523 -36.400 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.305 -17.010 -35.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.163 -16.915 -36.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.011 -15.615 -34.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.276 -15.319 -36.576 1.00 0.00 H new ATOM 877 N PHE A 52 0.813 -10.218 -33.900 1.00 0.00 N ATOM 878 CA PHE A 52 0.298 -8.863 -34.062 1.00 0.00 C ATOM 879 C PHE A 52 1.161 -8.067 -35.037 1.00 0.00 C ATOM 880 O PHE A 52 2.383 -8.008 -34.896 1.00 0.00 O ATOM 881 CB PHE A 52 0.246 -8.149 -32.710 1.00 0.00 C ATOM 882 CG PHE A 52 -0.314 -8.999 -31.605 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.684 -9.108 -31.423 1.00 0.00 C ATOM 884 CD2 PHE A 52 0.528 -9.689 -30.748 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.201 -9.888 -30.407 1.00 0.00 C ATOM 886 CE2 PHE A 52 0.016 -10.471 -29.730 1.00 0.00 C ATOM 887 CZ PHE A 52 -1.351 -10.572 -29.560 1.00 0.00 C ATOM 0 H PHE A 52 1.830 -10.290 -33.932 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.711 -8.931 -34.468 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.252 -7.830 -32.438 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.359 -7.248 -32.807 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.354 -8.577 -32.083 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.598 -9.615 -30.877 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.270 -9.963 -30.275 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.684 -11.002 -29.068 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.754 -11.184 -28.767 1.00 0.00 H new ATOM 897 N TYR A 53 0.517 -7.457 -36.025 1.00 0.00 N ATOM 898 CA TYR A 53 1.224 -6.666 -37.026 1.00 0.00 C ATOM 899 C TYR A 53 1.519 -5.264 -36.503 1.00 0.00 C ATOM 900 O TYR A 53 0.611 -4.454 -36.317 1.00 0.00 O ATOM 901 CB TYR A 53 0.402 -6.581 -38.313 1.00 0.00 C ATOM 902 CG TYR A 53 1.242 -6.601 -39.570 1.00 0.00 C ATOM 903 CD1 TYR A 53 2.402 -5.842 -39.667 1.00 0.00 C ATOM 904 CD2 TYR A 53 0.876 -7.380 -40.661 1.00 0.00 C ATOM 905 CE1 TYR A 53 3.171 -5.857 -40.814 1.00 0.00 C ATOM 906 CE2 TYR A 53 1.640 -7.402 -41.811 1.00 0.00 C ATOM 907 CZ TYR A 53 2.787 -6.639 -41.883 1.00 0.00 C ATOM 908 OH TYR A 53 3.551 -6.658 -43.027 1.00 0.00 O ATOM 0 H TYR A 53 -0.494 -7.495 -36.155 1.00 0.00 H new ATOM 0 HA TYR A 53 2.171 -7.160 -37.241 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.300 -7.415 -38.342 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.190 -5.666 -38.296 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.707 -5.230 -38.831 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.021 -7.979 -40.609 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.069 -5.259 -40.873 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.341 -8.013 -42.650 1.00 0.00 H new ATOM 0 HH TYR A 53 3.142 -7.260 -43.683 1.00 0.00 H new ATOM 918 N VAL A 54 2.797 -4.984 -36.269 1.00 0.00 N ATOM 919 CA VAL A 54 3.215 -3.679 -35.769 1.00 0.00 C ATOM 920 C VAL A 54 3.639 -2.763 -36.912 1.00 0.00 C ATOM 921 O VAL A 54 4.141 -3.224 -37.938 1.00 0.00 O ATOM 922 CB VAL A 54 4.380 -3.807 -34.770 1.00 0.00 C ATOM 923 CG1 VAL A 54 3.921 -4.513 -33.503 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.549 -4.542 -35.407 1.00 0.00 C ATOM 0 H VAL A 54 3.561 -5.643 -36.418 1.00 0.00 H new ATOM 0 HA VAL A 54 2.355 -3.245 -35.259 1.00 0.00 H new ATOM 0 HB VAL A 54 4.715 -2.806 -34.498 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.757 -4.595 -32.809 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.118 -3.941 -33.038 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.558 -5.510 -33.753 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.363 -4.623 -34.687 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.230 -5.540 -35.709 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.892 -3.990 -36.282 1.00 0.00 H new ATOM 934 N HIS A 55 3.433 -1.463 -36.729 1.00 0.00 N ATOM 935 CA HIS A 55 3.795 -0.481 -37.745 1.00 0.00 C ATOM 936 C HIS A 55 4.356 0.784 -37.102 1.00 0.00 C ATOM 937 O HIS A 55 3.839 1.260 -36.091 1.00 0.00 O ATOM 938 CB HIS A 55 2.579 -0.133 -38.604 1.00 0.00 C ATOM 939 CG HIS A 55 2.860 0.904 -39.647 1.00 0.00 C ATOM 940 ND1 HIS A 55 1.932 1.844 -40.043 1.00 0.00 N ATOM 941 CD2 HIS A 55 3.974 1.148 -40.376 1.00 0.00 C ATOM 942 CE1 HIS A 55 2.462 2.620 -40.972 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.701 2.218 -41.192 1.00 0.00 N ATOM 0 H HIS A 55 3.017 -1.065 -35.887 1.00 0.00 H new ATOM 0 HA HIS A 55 4.566 -0.918 -38.379 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.218 -1.038 -39.092 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.777 0.222 -37.957 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.905 0.602 -40.325 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.967 3.442 -41.467 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.350 2.635 -41.860 1.00 0.00 H new ATOM 951 N TYR A 56 5.416 1.322 -37.694 1.00 0.00 N ATOM 952 CA TYR A 56 6.049 2.530 -37.178 1.00 0.00 C ATOM 953 C TYR A 56 5.606 3.758 -37.967 1.00 0.00 C ATOM 954 O TYR A 56 5.425 3.697 -39.183 1.00 0.00 O ATOM 955 CB TYR A 56 7.572 2.397 -37.234 1.00 0.00 C ATOM 956 CG TYR A 56 8.096 1.155 -36.548 1.00 0.00 C ATOM 957 CD1 TYR A 56 8.221 1.101 -35.165 1.00 0.00 C ATOM 958 CD2 TYR A 56 8.467 0.036 -37.283 1.00 0.00 C ATOM 959 CE1 TYR A 56 8.700 -0.030 -34.535 1.00 0.00 C ATOM 960 CE2 TYR A 56 8.947 -1.100 -36.661 1.00 0.00 C ATOM 961 CZ TYR A 56 9.062 -1.129 -35.287 1.00 0.00 C ATOM 962 OH TYR A 56 9.539 -2.258 -34.662 1.00 0.00 O ATOM 0 H TYR A 56 5.855 0.941 -38.532 1.00 0.00 H new ATOM 0 HA TYR A 56 5.739 2.656 -36.141 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.890 2.388 -38.277 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.022 3.275 -36.771 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.938 1.959 -34.573 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.379 0.055 -38.359 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.791 -0.055 -33.459 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.231 -1.961 -37.248 1.00 0.00 H new ATOM 0 HH TYR A 56 9.747 -2.941 -35.334 1.00 0.00 H new ATOM 972 N VAL A 57 5.433 4.874 -37.265 1.00 0.00 N ATOM 973 CA VAL A 57 5.012 6.118 -37.899 1.00 0.00 C ATOM 974 C VAL A 57 6.210 7.007 -38.213 1.00 0.00 C ATOM 975 O VAL A 57 7.044 7.270 -37.348 1.00 0.00 O ATOM 976 CB VAL A 57 4.029 6.898 -37.006 1.00 0.00 C ATOM 977 CG1 VAL A 57 2.751 6.100 -36.796 1.00 0.00 C ATOM 978 CG2 VAL A 57 4.677 7.242 -35.674 1.00 0.00 C ATOM 0 H VAL A 57 5.578 4.942 -36.258 1.00 0.00 H new ATOM 0 HA VAL A 57 4.511 5.846 -38.828 1.00 0.00 H new ATOM 0 HB VAL A 57 3.769 7.830 -37.509 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.068 6.666 -36.163 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.279 5.910 -37.760 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.989 5.151 -36.315 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.968 7.793 -35.056 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.967 6.324 -35.163 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.561 7.856 -35.847 1.00 0.00 H new ATOM 988 N ASN A 58 6.289 7.466 -39.458 1.00 0.00 N ATOM 989 CA ASN A 58 7.386 8.326 -39.887 1.00 0.00 C ATOM 990 C ASN A 58 8.734 7.703 -39.539 1.00 0.00 C ATOM 991 O ASN A 58 9.704 8.410 -39.266 1.00 0.00 O ATOM 992 CB ASN A 58 7.265 9.706 -39.236 1.00 0.00 C ATOM 993 CG ASN A 58 5.931 10.366 -39.524 1.00 0.00 C ATOM 994 OD1 ASN A 58 5.067 10.453 -38.651 1.00 0.00 O ATOM 995 ND2 ASN A 58 5.757 10.836 -40.754 1.00 0.00 N ATOM 0 H ASN A 58 5.607 7.257 -40.187 1.00 0.00 H new ATOM 0 HA ASN A 58 7.326 8.436 -40.970 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.394 9.609 -38.158 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.070 10.347 -39.597 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.880 11.291 -41.007 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.501 10.742 -41.446 1.00 0.00 H new ATOM 1002 N TYR A 59 8.786 6.376 -39.550 1.00 0.00 N ATOM 1003 CA TYR A 59 10.015 5.657 -39.233 1.00 0.00 C ATOM 1004 C TYR A 59 10.579 4.970 -40.473 1.00 0.00 C ATOM 1005 O TYR A 59 11.669 5.300 -40.937 1.00 0.00 O ATOM 1006 CB TYR A 59 9.756 4.623 -38.136 1.00 0.00 C ATOM 1007 CG TYR A 59 10.956 4.366 -37.252 1.00 0.00 C ATOM 1008 CD1 TYR A 59 12.169 3.960 -37.795 1.00 0.00 C ATOM 1009 CD2 TYR A 59 10.875 4.527 -35.875 1.00 0.00 C ATOM 1010 CE1 TYR A 59 13.267 3.724 -36.991 1.00 0.00 C ATOM 1011 CE2 TYR A 59 11.969 4.294 -35.063 1.00 0.00 C ATOM 1012 CZ TYR A 59 13.162 3.892 -35.626 1.00 0.00 C ATOM 1013 OH TYR A 59 14.254 3.658 -34.821 1.00 0.00 O ATOM 0 H TYR A 59 7.992 5.776 -39.775 1.00 0.00 H new ATOM 0 HA TYR A 59 10.748 6.380 -38.876 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.925 4.962 -37.517 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.448 3.685 -38.598 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.255 3.827 -38.863 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.941 4.840 -35.431 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.203 3.410 -37.429 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.890 4.426 -33.994 1.00 0.00 H new ATOM 0 HH TYR A 59 14.012 3.823 -33.886 1.00 0.00 H new ATOM 1023 N ASN A 60 9.826 4.012 -41.005 1.00 0.00 N ATOM 1024 CA ASN A 60 10.250 3.277 -42.192 1.00 0.00 C ATOM 1025 C ASN A 60 9.110 2.422 -42.737 1.00 0.00 C ATOM 1026 O ASN A 60 8.168 2.091 -42.018 1.00 0.00 O ATOM 1027 CB ASN A 60 11.455 2.393 -41.866 1.00 0.00 C ATOM 1028 CG ASN A 60 12.336 2.148 -43.076 1.00 0.00 C ATOM 1029 OD1 ASN A 60 11.961 2.466 -44.205 1.00 0.00 O ATOM 1030 ND2 ASN A 60 13.513 1.579 -42.845 1.00 0.00 N ATOM 0 H ASN A 60 8.920 3.727 -40.633 1.00 0.00 H new ATOM 0 HA ASN A 60 10.535 4.001 -42.955 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.045 2.863 -41.079 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.106 1.437 -41.475 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.148 1.388 -43.620 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.782 1.332 -41.893 1.00 0.00 H new ATOM 1037 N LYS A 61 9.204 2.067 -44.014 1.00 0.00 N ATOM 1038 CA LYS A 61 8.183 1.248 -44.658 1.00 0.00 C ATOM 1039 C LYS A 61 8.569 -0.227 -44.625 1.00 0.00 C ATOM 1040 O LYS A 61 7.706 -1.105 -44.661 1.00 0.00 O ATOM 1041 CB LYS A 61 7.975 1.700 -46.105 1.00 0.00 C ATOM 1042 CG LYS A 61 9.171 1.433 -47.003 1.00 0.00 C ATOM 1043 CD LYS A 61 9.132 2.295 -48.254 1.00 0.00 C ATOM 1044 CE LYS A 61 9.705 3.680 -47.995 1.00 0.00 C ATOM 1045 NZ LYS A 61 10.149 4.341 -49.253 1.00 0.00 N ATOM 0 H LYS A 61 9.977 2.334 -44.624 1.00 0.00 H new ATOM 0 HA LYS A 61 7.251 1.374 -44.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.103 1.190 -46.514 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.754 2.767 -46.115 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.091 1.630 -46.453 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.187 0.380 -47.286 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.697 1.809 -49.049 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.103 2.385 -48.603 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.953 4.299 -47.506 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.548 3.602 -47.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.533 5.282 -49.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.885 3.764 -49.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.339 4.439 -49.898 1.00 0.00 H new ATOM 1059 N ARG A 62 9.869 -0.493 -44.556 1.00 0.00 N ATOM 1060 CA ARG A 62 10.368 -1.862 -44.519 1.00 0.00 C ATOM 1061 C ARG A 62 10.336 -2.414 -43.096 1.00 0.00 C ATOM 1062 O ARG A 62 10.246 -3.625 -42.890 1.00 0.00 O ATOM 1063 CB ARG A 62 11.794 -1.923 -45.069 1.00 0.00 C ATOM 1064 CG ARG A 62 12.766 -1.006 -44.345 1.00 0.00 C ATOM 1065 CD ARG A 62 14.194 -1.520 -44.440 1.00 0.00 C ATOM 1066 NE ARG A 62 14.733 -1.394 -45.791 1.00 0.00 N ATOM 1067 CZ ARG A 62 15.977 -1.724 -46.120 1.00 0.00 C ATOM 1068 NH1 ARG A 62 16.806 -2.198 -45.200 1.00 0.00 N ATOM 1069 NH2 ARG A 62 16.394 -1.580 -47.371 1.00 0.00 N ATOM 0 H ARG A 62 10.596 0.222 -44.525 1.00 0.00 H new ATOM 0 HA ARG A 62 9.719 -2.476 -45.143 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.157 -2.949 -45.002 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.778 -1.659 -46.126 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.710 -0.005 -44.772 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.477 -0.923 -43.297 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.825 -0.966 -43.745 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.224 -2.566 -44.134 1.00 0.00 H new ATOM 0 HE ARG A 62 14.121 -1.033 -46.522 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.489 -2.310 -44.237 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.761 -2.451 -45.455 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.759 -1.216 -48.081 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.349 -1.834 -47.623 1.00 0.00 H new ATOM 1083 N LEU A 63 10.411 -1.518 -42.118 1.00 0.00 N ATOM 1084 CA LEU A 63 10.391 -1.914 -40.715 1.00 0.00 C ATOM 1085 C LEU A 63 9.040 -2.513 -40.337 1.00 0.00 C ATOM 1086 O LEU A 63 8.959 -3.400 -39.487 1.00 0.00 O ATOM 1087 CB LEU A 63 10.697 -0.711 -39.820 1.00 0.00 C ATOM 1088 CG LEU A 63 12.155 -0.251 -39.790 1.00 0.00 C ATOM 1089 CD1 LEU A 63 12.316 0.950 -38.871 1.00 0.00 C ATOM 1090 CD2 LEU A 63 13.065 -1.388 -39.350 1.00 0.00 C ATOM 0 H LEU A 63 10.486 -0.512 -42.271 1.00 0.00 H new ATOM 0 HA LEU A 63 11.159 -2.674 -40.567 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.079 0.126 -40.146 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.392 -0.954 -38.802 1.00 0.00 H new ATOM 0 HG LEU A 63 12.443 0.047 -40.798 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.360 1.264 -38.862 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.694 1.769 -39.231 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.010 0.679 -37.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.098 -1.042 -39.335 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.778 -1.718 -38.352 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.971 -2.220 -40.048 1.00 0.00 H new ATOM 1102 N ASP A 64 7.983 -2.023 -40.975 1.00 0.00 N ATOM 1103 CA ASP A 64 6.635 -2.512 -40.708 1.00 0.00 C ATOM 1104 C ASP A 64 6.577 -4.032 -40.818 1.00 0.00 C ATOM 1105 O ASP A 64 6.584 -4.585 -41.917 1.00 0.00 O ATOM 1106 CB ASP A 64 5.639 -1.880 -41.682 1.00 0.00 C ATOM 1107 CG ASP A 64 4.226 -2.390 -41.476 1.00 0.00 C ATOM 1108 OD1 ASP A 64 3.721 -2.298 -40.338 1.00 0.00 O ATOM 1109 OD2 ASP A 64 3.625 -2.881 -42.455 1.00 0.00 O ATOM 0 H ASP A 64 8.033 -1.288 -41.680 1.00 0.00 H new ATOM 0 HA ASP A 64 6.367 -2.229 -39.690 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.653 -0.797 -41.560 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.952 -2.089 -42.705 1.00 0.00 H new ATOM 1114 N GLU A 65 6.520 -4.701 -39.670 1.00 0.00 N ATOM 1115 CA GLU A 65 6.463 -6.158 -39.638 1.00 0.00 C ATOM 1116 C GLU A 65 5.498 -6.641 -38.559 1.00 0.00 C ATOM 1117 O GLU A 65 4.835 -5.839 -37.901 1.00 0.00 O ATOM 1118 CB GLU A 65 7.856 -6.740 -39.390 1.00 0.00 C ATOM 1119 CG GLU A 65 8.439 -6.367 -38.037 1.00 0.00 C ATOM 1120 CD GLU A 65 9.650 -7.204 -37.673 1.00 0.00 C ATOM 1121 OE1 GLU A 65 9.691 -8.389 -38.066 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.556 -6.675 -36.995 1.00 0.00 O ATOM 0 H GLU A 65 6.512 -4.258 -38.751 1.00 0.00 H new ATOM 0 HA GLU A 65 6.100 -6.503 -40.606 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.806 -7.826 -39.468 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.530 -6.395 -40.174 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.719 -5.314 -38.044 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.674 -6.488 -37.270 1.00 0.00 H new ATOM 1129 N TRP A 66 5.425 -7.955 -38.384 1.00 0.00 N ATOM 1130 CA TRP A 66 4.541 -8.546 -37.386 1.00 0.00 C ATOM 1131 C TRP A 66 5.336 -9.350 -36.363 1.00 0.00 C ATOM 1132 O TRP A 66 6.212 -10.137 -36.724 1.00 0.00 O ATOM 1133 CB TRP A 66 3.502 -9.442 -38.061 1.00 0.00 C ATOM 1134 CG TRP A 66 4.100 -10.435 -39.011 1.00 0.00 C ATOM 1135 CD1 TRP A 66 4.561 -10.187 -40.272 1.00 0.00 C ATOM 1136 CD2 TRP A 66 4.300 -11.833 -38.775 1.00 0.00 C ATOM 1137 NE1 TRP A 66 5.036 -11.348 -40.835 1.00 0.00 N ATOM 1138 CE2 TRP A 66 4.888 -12.371 -39.937 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.042 -12.682 -37.696 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 5.219 -13.719 -40.047 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 4.371 -14.019 -37.807 1.00 0.00 C ATOM 1142 CH2 TRP A 66 4.955 -14.527 -38.975 1.00 0.00 C ATOM 0 H TRP A 66 5.967 -8.632 -38.920 1.00 0.00 H new ATOM 0 HA TRP A 66 4.029 -7.737 -36.866 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.941 -9.976 -37.294 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.790 -8.817 -38.600 1.00 0.00 H new ATOM 0 HD1 TRP A 66 4.554 -9.221 -40.756 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.434 -11.433 -41.770 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.593 -12.300 -36.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 5.668 -14.113 -40.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.175 -14.684 -36.979 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.202 -15.577 -39.030 1.00 0.00 H new ATOM 1153 N ILE A 67 5.025 -9.148 -35.087 1.00 0.00 N ATOM 1154 CA ILE A 67 5.710 -9.857 -34.013 1.00 0.00 C ATOM 1155 C ILE A 67 4.718 -10.383 -32.981 1.00 0.00 C ATOM 1156 O ILE A 67 3.506 -10.218 -33.127 1.00 0.00 O ATOM 1157 CB ILE A 67 6.736 -8.951 -33.306 1.00 0.00 C ATOM 1158 CG1 ILE A 67 6.087 -7.627 -32.901 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.936 -8.705 -34.209 1.00 0.00 C ATOM 1160 CD1 ILE A 67 6.951 -6.783 -31.991 1.00 0.00 C ATOM 0 H ILE A 67 4.304 -8.500 -34.772 1.00 0.00 H new ATOM 0 HA ILE A 67 6.233 -10.696 -34.472 1.00 0.00 H new ATOM 0 HB ILE A 67 7.082 -9.455 -32.403 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.854 -7.056 -33.800 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.141 -7.834 -32.401 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.652 -8.063 -33.696 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.410 -9.656 -34.452 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.607 -8.219 -35.127 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.427 -5.860 -31.745 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.163 -7.335 -31.075 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.887 -6.545 -32.496 1.00 0.00 H new ATOM 1172 N THR A 68 5.240 -11.017 -31.936 1.00 0.00 N ATOM 1173 CA THR A 68 4.401 -11.568 -30.879 1.00 0.00 C ATOM 1174 C THR A 68 4.374 -10.648 -29.664 1.00 0.00 C ATOM 1175 O THR A 68 4.943 -9.556 -29.685 1.00 0.00 O ATOM 1176 CB THR A 68 4.890 -12.962 -30.443 1.00 0.00 C ATOM 1177 OG1 THR A 68 6.219 -12.873 -29.918 1.00 0.00 O ATOM 1178 CG2 THR A 68 4.865 -13.935 -31.612 1.00 0.00 C ATOM 0 H THR A 68 6.240 -11.162 -31.799 1.00 0.00 H new ATOM 0 HA THR A 68 3.394 -11.656 -31.287 1.00 0.00 H new ATOM 0 HB THR A 68 4.218 -13.332 -29.669 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.522 -13.763 -29.642 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.215 -14.912 -31.279 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.847 -14.023 -31.990 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.516 -13.568 -32.405 1.00 0.00 H new ATOM 1186 N THR A 69 3.709 -11.096 -28.603 1.00 0.00 N ATOM 1187 CA THR A 69 3.607 -10.313 -27.378 1.00 0.00 C ATOM 1188 C THR A 69 4.801 -10.564 -26.464 1.00 0.00 C ATOM 1189 O THR A 69 4.858 -10.051 -25.347 1.00 0.00 O ATOM 1190 CB THR A 69 2.311 -10.636 -26.611 1.00 0.00 C ATOM 1191 OG1 THR A 69 2.130 -9.703 -25.540 1.00 0.00 O ATOM 1192 CG2 THR A 69 2.349 -12.052 -26.056 1.00 0.00 C ATOM 0 H THR A 69 3.233 -11.997 -28.568 1.00 0.00 H new ATOM 0 HA THR A 69 3.593 -9.264 -27.674 1.00 0.00 H new ATOM 0 HB THR A 69 1.475 -10.558 -27.306 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.995 -9.310 -25.299 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.423 -12.257 -25.518 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.457 -12.762 -26.876 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.194 -12.153 -25.375 1.00 0.00 H new ATOM 1200 N ASP A 70 5.753 -11.356 -26.946 1.00 0.00 N ATOM 1201 CA ASP A 70 6.947 -11.674 -26.172 1.00 0.00 C ATOM 1202 C ASP A 70 7.695 -10.403 -25.780 1.00 0.00 C ATOM 1203 O ASP A 70 8.359 -10.356 -24.745 1.00 0.00 O ATOM 1204 CB ASP A 70 7.868 -12.596 -26.972 1.00 0.00 C ATOM 1205 CG ASP A 70 9.034 -13.107 -26.148 1.00 0.00 C ATOM 1206 OD1 ASP A 70 9.971 -12.322 -25.896 1.00 0.00 O ATOM 1207 OD2 ASP A 70 9.009 -14.292 -25.755 1.00 0.00 O ATOM 0 H ASP A 70 5.721 -11.789 -27.869 1.00 0.00 H new ATOM 0 HA ASP A 70 6.635 -12.186 -25.262 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.293 -13.443 -27.347 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.249 -12.059 -27.841 1.00 0.00 H new ATOM 1212 N ARG A 71 7.583 -9.375 -26.615 1.00 0.00 N ATOM 1213 CA ARG A 71 8.250 -8.105 -26.357 1.00 0.00 C ATOM 1214 C ARG A 71 7.232 -6.987 -26.155 1.00 0.00 C ATOM 1215 O ARG A 71 7.551 -5.937 -25.596 1.00 0.00 O ATOM 1216 CB ARG A 71 9.187 -7.753 -27.514 1.00 0.00 C ATOM 1217 CG ARG A 71 8.466 -7.220 -28.741 1.00 0.00 C ATOM 1218 CD ARG A 71 8.454 -5.700 -28.765 1.00 0.00 C ATOM 1219 NE ARG A 71 9.804 -5.142 -28.782 1.00 0.00 N ATOM 1220 CZ ARG A 71 10.542 -5.037 -29.882 1.00 0.00 C ATOM 1221 NH1 ARG A 71 10.062 -5.448 -31.048 1.00 0.00 N ATOM 1222 NH2 ARG A 71 11.762 -4.518 -29.817 1.00 0.00 N ATOM 0 H ARG A 71 7.037 -9.397 -27.476 1.00 0.00 H new ATOM 0 HA ARG A 71 8.835 -8.210 -25.443 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.907 -7.008 -27.174 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.755 -8.641 -27.794 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.952 -7.595 -29.641 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.442 -7.593 -28.753 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.908 -5.356 -29.644 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.919 -5.328 -27.891 1.00 0.00 H new ATOM 0 HE ARG A 71 10.202 -4.815 -27.901 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.124 -5.846 -31.102 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.631 -5.366 -31.891 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.134 -4.199 -28.922 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.328 -4.438 -30.662 1.00 0.00 H new ATOM 1236 N ILE A 72 6.006 -7.220 -26.613 1.00 0.00 N ATOM 1237 CA ILE A 72 4.942 -6.234 -26.482 1.00 0.00 C ATOM 1238 C ILE A 72 4.030 -6.562 -25.305 1.00 0.00 C ATOM 1239 O ILE A 72 3.740 -7.728 -25.037 1.00 0.00 O ATOM 1240 CB ILE A 72 4.094 -6.146 -27.764 1.00 0.00 C ATOM 1241 CG1 ILE A 72 4.974 -5.773 -28.959 1.00 0.00 C ATOM 1242 CG2 ILE A 72 2.972 -5.133 -27.590 1.00 0.00 C ATOM 1243 CD1 ILE A 72 4.334 -6.067 -30.297 1.00 0.00 C ATOM 0 H ILE A 72 5.726 -8.084 -27.078 1.00 0.00 H new ATOM 0 HA ILE A 72 5.424 -5.272 -26.308 1.00 0.00 H new ATOM 0 HB ILE A 72 3.649 -7.123 -27.954 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.214 -4.711 -28.906 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.916 -6.316 -28.889 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.382 -5.083 -28.505 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.332 -5.438 -26.762 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.397 -4.152 -27.378 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.015 -5.777 -31.097 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.119 -7.133 -30.371 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.406 -5.503 -30.388 1.00 0.00 H new ATOM 1255 N ASN A 73 3.578 -5.526 -24.605 1.00 0.00 N ATOM 1256 CA ASN A 73 2.697 -5.705 -23.457 1.00 0.00 C ATOM 1257 C ASN A 73 1.341 -5.052 -23.705 1.00 0.00 C ATOM 1258 O ASN A 73 1.262 -3.933 -24.213 1.00 0.00 O ATOM 1259 CB ASN A 73 3.338 -5.114 -22.199 1.00 0.00 C ATOM 1260 CG ASN A 73 2.693 -5.627 -20.926 1.00 0.00 C ATOM 1261 OD1 ASN A 73 2.138 -4.856 -20.144 1.00 0.00 O ATOM 1262 ND2 ASN A 73 2.765 -6.936 -20.713 1.00 0.00 N ATOM 0 H ASN A 73 3.807 -4.554 -24.813 1.00 0.00 H new ATOM 0 HA ASN A 73 2.544 -6.774 -23.311 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.401 -5.356 -22.188 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.259 -4.027 -22.231 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.350 -7.340 -19.873 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.235 -7.538 -21.389 1.00 0.00 H new ATOM 1269 N LEU A 74 0.275 -5.758 -23.343 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.079 -5.247 -23.525 1.00 0.00 C ATOM 1271 C LEU A 74 -1.243 -3.888 -22.853 1.00 0.00 C ATOM 1272 O LEU A 74 -0.494 -3.541 -21.940 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.099 -6.236 -22.957 1.00 0.00 C ATOM 1274 CG LEU A 74 -3.474 -6.240 -23.626 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -3.416 -6.962 -24.962 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -4.508 -6.883 -22.714 1.00 0.00 C ATOM 0 H LEU A 74 0.322 -6.686 -22.922 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.255 -5.127 -24.594 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.680 -7.240 -23.027 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.233 -6.020 -21.897 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.771 -5.207 -23.808 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.404 -6.954 -25.423 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.706 -6.458 -25.617 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.097 -7.992 -24.805 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.481 -6.877 -23.206 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.215 -7.911 -22.500 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.570 -6.322 -21.782 1.00 0.00 H new