USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 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 15 HIS : no HD1:sc= -0.177 K(o=-0.41,f=-2.6) USER MOD Set 1.2: A 16 MET CE :methyl -147:sc= -0.229 (180deg=-0.878) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.182 (180deg=-0.659) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= -1.95 (180deg=-4.28) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.1) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.98) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 3.484 -20.415 -23.175 1.00 0.00 N ATOM 198 CA VAL A 10 2.837 -19.123 -23.366 1.00 0.00 C ATOM 199 C VAL A 10 3.020 -18.230 -22.144 1.00 0.00 C ATOM 200 O VAL A 10 3.241 -18.701 -21.028 1.00 0.00 O ATOM 201 CB VAL A 10 1.331 -19.285 -23.649 1.00 0.00 C ATOM 202 CG1 VAL A 10 1.102 -19.717 -25.089 1.00 0.00 C ATOM 203 CG2 VAL A 10 0.712 -20.281 -22.680 1.00 0.00 C ATOM 0 HA VAL A 10 3.313 -18.656 -24.228 1.00 0.00 H new ATOM 0 HB VAL A 10 0.845 -18.320 -23.503 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.033 -19.826 -25.270 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.509 -18.964 -25.764 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.599 -20.671 -25.266 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.352 -20.384 -22.894 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.200 -21.249 -22.793 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.844 -19.925 -21.658 1.00 0.00 H new ATOM 213 N PRO A 11 2.926 -16.909 -22.357 1.00 0.00 N ATOM 214 CA PRO A 11 3.077 -15.922 -21.284 1.00 0.00 C ATOM 215 C PRO A 11 1.909 -15.946 -20.305 1.00 0.00 C ATOM 216 O PRO A 11 0.854 -16.511 -20.596 1.00 0.00 O ATOM 217 CB PRO A 11 3.119 -14.588 -22.033 1.00 0.00 C ATOM 218 CG PRO A 11 2.386 -14.844 -23.305 1.00 0.00 C ATOM 219 CD PRO A 11 2.664 -16.278 -23.661 1.00 0.00 C ATOM 0 HA PRO A 11 3.961 -16.114 -20.676 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.644 -13.795 -21.455 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.145 -14.273 -22.224 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.317 -14.673 -23.181 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.726 -14.173 -24.094 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.815 -16.738 -24.167 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.520 -16.367 -24.330 1.00 0.00 H new ATOM 227 N ARG A 12 2.103 -15.330 -19.143 1.00 0.00 N ATOM 228 CA ARG A 12 1.065 -15.282 -18.121 1.00 0.00 C ATOM 229 C ARG A 12 0.782 -13.843 -17.701 1.00 0.00 C ATOM 230 O ARG A 12 1.410 -12.907 -18.193 1.00 0.00 O ATOM 231 CB ARG A 12 1.482 -16.108 -16.902 1.00 0.00 C ATOM 232 CG ARG A 12 0.327 -16.842 -16.240 1.00 0.00 C ATOM 233 CD ARG A 12 0.790 -18.134 -15.586 1.00 0.00 C ATOM 234 NE ARG A 12 1.664 -17.887 -14.442 1.00 0.00 N ATOM 235 CZ ARG A 12 2.212 -18.852 -13.714 1.00 0.00 C ATOM 236 NH1 ARG A 12 1.979 -20.124 -14.009 1.00 0.00 N ATOM 237 NH2 ARG A 12 2.997 -18.547 -12.688 1.00 0.00 N ATOM 0 H ARG A 12 2.970 -14.857 -18.886 1.00 0.00 H new ATOM 0 HA ARG A 12 0.154 -15.705 -18.544 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.236 -16.834 -17.206 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.950 -15.450 -16.170 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.133 -16.198 -15.490 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.439 -17.063 -16.983 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.078 -18.707 -15.261 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.318 -18.743 -16.320 1.00 0.00 H new ATOM 0 HE ARG A 12 1.864 -16.919 -14.189 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.377 -20.363 -14.797 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.402 -20.863 -13.448 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.180 -17.570 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.418 -19.290 -12.129 1.00 0.00 H new ATOM 251 N GLY A 13 -0.170 -13.675 -16.788 1.00 0.00 N ATOM 252 CA GLY A 13 -0.521 -12.347 -16.318 1.00 0.00 C ATOM 253 C GLY A 13 -1.945 -12.272 -15.804 1.00 0.00 C ATOM 254 O GLY A 13 -2.180 -11.870 -14.664 1.00 0.00 O ATOM 0 H GLY A 13 -0.704 -14.434 -16.366 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.165 -12.053 -15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.393 -11.632 -17.130 1.00 0.00 H new ATOM 258 N SER A 14 -2.898 -12.657 -16.646 1.00 0.00 N ATOM 259 CA SER A 14 -4.307 -12.626 -16.273 1.00 0.00 C ATOM 260 C SER A 14 -4.766 -11.196 -16.005 1.00 0.00 C ATOM 261 O SER A 14 -5.654 -10.960 -15.185 1.00 0.00 O ATOM 262 CB SER A 14 -4.548 -13.491 -15.035 1.00 0.00 C ATOM 263 OG SER A 14 -5.860 -14.026 -15.033 1.00 0.00 O ATOM 0 H SER A 14 -2.720 -12.994 -17.592 1.00 0.00 H new ATOM 0 HA SER A 14 -4.887 -13.026 -17.105 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.821 -14.303 -15.008 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.394 -12.895 -14.136 1.00 0.00 H new ATOM 0 HG SER A 14 -5.988 -14.576 -14.232 1.00 0.00 H new ATOM 269 N HIS A 15 -4.155 -10.244 -16.703 1.00 0.00 N ATOM 270 CA HIS A 15 -4.500 -8.836 -16.542 1.00 0.00 C ATOM 271 C HIS A 15 -4.580 -8.138 -17.896 1.00 0.00 C ATOM 272 O HIS A 15 -4.659 -6.912 -17.969 1.00 0.00 O ATOM 273 CB HIS A 15 -3.472 -8.135 -15.653 1.00 0.00 C ATOM 274 CG HIS A 15 -2.119 -8.013 -16.285 1.00 0.00 C ATOM 275 ND1 HIS A 15 -1.415 -9.094 -16.770 1.00 0.00 N ATOM 276 CD2 HIS A 15 -1.343 -6.927 -16.510 1.00 0.00 C ATOM 277 CE1 HIS A 15 -0.262 -8.679 -17.265 1.00 0.00 C ATOM 278 NE2 HIS A 15 -0.194 -7.368 -17.120 1.00 0.00 N ATOM 0 H HIS A 15 -3.418 -10.422 -17.386 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.479 -8.780 -16.066 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.839 -7.139 -15.403 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.378 -8.685 -14.716 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.583 -5.905 -16.257 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.496 -9.305 -17.712 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.585 -6.779 -17.413 1.00 0.00 H new ATOM 286 N MET A 16 -4.558 -8.927 -18.965 1.00 0.00 N ATOM 287 CA MET A 16 -4.628 -8.383 -20.317 1.00 0.00 C ATOM 288 C MET A 16 -5.511 -9.252 -21.207 1.00 0.00 C ATOM 289 O MET A 16 -5.730 -10.429 -20.921 1.00 0.00 O ATOM 290 CB MET A 16 -3.226 -8.275 -20.920 1.00 0.00 C ATOM 291 CG MET A 16 -2.300 -7.352 -20.144 1.00 0.00 C ATOM 292 SD MET A 16 -0.664 -7.222 -20.889 1.00 0.00 S ATOM 293 CE MET A 16 -0.151 -8.938 -20.880 1.00 0.00 C ATOM 0 H MET A 16 -4.492 -9.944 -18.922 1.00 0.00 H new ATOM 0 HA MET A 16 -5.068 -7.387 -20.259 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.781 -9.269 -20.965 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.307 -7.916 -21.946 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.748 -6.360 -20.085 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.201 -7.718 -19.122 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.928 -8.995 -20.734 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.655 -9.464 -20.069 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.413 -9.401 -21.831 1.00 0.00 H new ATOM 303 N SER A 17 -6.016 -8.664 -22.287 1.00 0.00 N ATOM 304 CA SER A 17 -6.879 -9.384 -23.216 1.00 0.00 C ATOM 305 C SER A 17 -6.556 -9.007 -24.659 1.00 0.00 C ATOM 306 O SER A 17 -6.485 -7.828 -25.004 1.00 0.00 O ATOM 307 CB SER A 17 -8.349 -9.085 -22.916 1.00 0.00 C ATOM 308 OG SER A 17 -8.839 -9.922 -21.883 1.00 0.00 O ATOM 0 H SER A 17 -5.842 -7.691 -22.540 1.00 0.00 H new ATOM 0 HA SER A 17 -6.700 -10.451 -23.088 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.459 -8.040 -22.625 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.944 -9.229 -23.818 1.00 0.00 H new ATOM 0 HG SER A 17 -9.780 -9.710 -21.709 1.00 0.00 H new ATOM 314 N VAL A 18 -6.362 -10.020 -25.499 1.00 0.00 N ATOM 315 CA VAL A 18 -6.048 -9.797 -26.905 1.00 0.00 C ATOM 316 C VAL A 18 -7.318 -9.631 -27.732 1.00 0.00 C ATOM 317 O VAL A 18 -7.323 -8.931 -28.745 1.00 0.00 O ATOM 318 CB VAL A 18 -5.219 -10.958 -27.485 1.00 0.00 C ATOM 319 CG1 VAL A 18 -4.690 -10.599 -28.866 1.00 0.00 C ATOM 320 CG2 VAL A 18 -4.078 -11.320 -26.546 1.00 0.00 C ATOM 0 H VAL A 18 -6.417 -11.002 -25.230 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.462 -8.880 -26.957 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.867 -11.829 -27.585 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.107 -11.431 -29.260 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.527 -10.394 -29.534 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.057 -9.714 -28.795 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.503 -12.142 -26.972 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.429 -10.455 -26.412 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.483 -11.623 -25.581 1.00 0.00 H new ATOM 330 N ASP A 19 -8.392 -10.277 -27.293 1.00 0.00 N ATOM 331 CA ASP A 19 -9.669 -10.200 -27.992 1.00 0.00 C ATOM 332 C ASP A 19 -10.241 -8.787 -27.925 1.00 0.00 C ATOM 333 O ASP A 19 -11.190 -8.456 -28.636 1.00 0.00 O ATOM 334 CB ASP A 19 -10.664 -11.194 -27.392 1.00 0.00 C ATOM 335 CG ASP A 19 -11.952 -11.277 -28.188 1.00 0.00 C ATOM 336 OD1 ASP A 19 -11.905 -11.747 -29.344 1.00 0.00 O ATOM 337 OD2 ASP A 19 -13.006 -10.873 -27.655 1.00 0.00 O ATOM 0 H ASP A 19 -8.404 -10.860 -26.456 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.498 -10.455 -29.038 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.204 -12.181 -27.347 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.892 -10.901 -26.367 1.00 0.00 H new ATOM 342 N ASP A 20 -9.656 -7.958 -27.067 1.00 0.00 N ATOM 343 CA ASP A 20 -10.107 -6.580 -26.908 1.00 0.00 C ATOM 344 C ASP A 20 -9.222 -5.624 -27.701 1.00 0.00 C ATOM 345 O ASP A 20 -9.126 -4.439 -27.378 1.00 0.00 O ATOM 346 CB ASP A 20 -10.106 -6.189 -25.429 1.00 0.00 C ATOM 347 CG ASP A 20 -10.882 -4.913 -25.167 1.00 0.00 C ATOM 348 OD1 ASP A 20 -11.939 -4.720 -25.805 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.434 -4.109 -24.324 1.00 0.00 O ATOM 0 H ASP A 20 -8.869 -8.216 -26.471 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.124 -6.509 -27.294 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.537 -7.000 -24.842 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.078 -6.061 -25.091 1.00 0.00 H new ATOM 354 N ILE A 21 -8.577 -6.146 -28.738 1.00 0.00 N ATOM 355 CA ILE A 21 -7.700 -5.338 -29.577 1.00 0.00 C ATOM 356 C ILE A 21 -8.308 -5.120 -30.958 1.00 0.00 C ATOM 357 O ILE A 21 -8.695 -6.073 -31.635 1.00 0.00 O ATOM 358 CB ILE A 21 -6.314 -5.991 -29.736 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.631 -6.126 -28.373 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.451 -5.178 -30.689 1.00 0.00 C ATOM 361 CD1 ILE A 21 -4.249 -6.738 -28.449 1.00 0.00 C ATOM 0 H ILE A 21 -8.645 -7.125 -29.018 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.584 -4.376 -29.078 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.444 -6.988 -30.157 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.559 -5.141 -27.912 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.255 -6.737 -27.721 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.475 -5.652 -30.791 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.934 -5.129 -31.665 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.325 -4.169 -30.295 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.824 -6.803 -27.447 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.317 -7.737 -28.880 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.609 -6.115 -29.074 1.00 0.00 H new ATOM 373 N ILE A 22 -8.388 -3.859 -31.371 1.00 0.00 N ATOM 374 CA ILE A 22 -8.946 -3.516 -32.673 1.00 0.00 C ATOM 375 C ILE A 22 -7.843 -3.206 -33.679 1.00 0.00 C ATOM 376 O ILE A 22 -6.658 -3.370 -33.387 1.00 0.00 O ATOM 377 CB ILE A 22 -9.894 -2.307 -32.578 1.00 0.00 C ATOM 378 CG1 ILE A 22 -9.110 -1.043 -32.217 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.987 -2.569 -31.553 1.00 0.00 C ATOM 380 CD1 ILE A 22 -9.973 0.195 -32.115 1.00 0.00 C ATOM 0 H ILE A 22 -8.073 -3.059 -30.823 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.511 -4.384 -33.013 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.363 -2.156 -33.550 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.601 -1.200 -31.266 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.338 -0.877 -32.968 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.649 -1.705 -31.498 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.561 -3.447 -31.849 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.536 -2.743 -30.576 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.351 1.052 -31.856 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.462 0.377 -33.072 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.729 0.049 -31.343 1.00 0.00 H new ATOM 392 N ILE A 23 -8.241 -2.755 -34.864 1.00 0.00 N ATOM 393 CA ILE A 23 -7.286 -2.419 -35.913 1.00 0.00 C ATOM 394 C ILE A 23 -7.002 -0.921 -35.937 1.00 0.00 C ATOM 395 O ILE A 23 -7.852 -0.110 -35.568 1.00 0.00 O ATOM 396 CB ILE A 23 -7.795 -2.856 -37.299 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.307 -4.297 -37.247 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.690 -2.718 -38.336 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.267 -5.292 -36.784 1.00 0.00 C ATOM 0 H ILE A 23 -9.218 -2.614 -35.122 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.366 -2.958 -35.687 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.621 -2.207 -37.588 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.166 -4.345 -36.578 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.658 -4.585 -38.238 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.065 -3.031 -39.311 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.367 -1.678 -38.388 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.845 -3.346 -38.053 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.700 -6.292 -36.772 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.417 -5.273 -37.466 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.933 -5.029 -35.780 1.00 0.00 H new ATOM 411 N LYS A 24 -5.801 -0.559 -36.376 1.00 0.00 N ATOM 412 CA LYS A 24 -5.404 0.842 -36.453 1.00 0.00 C ATOM 413 C LYS A 24 -5.371 1.475 -35.065 1.00 0.00 C ATOM 414 O LYS A 24 -5.620 2.671 -34.913 1.00 0.00 O ATOM 415 CB LYS A 24 -6.366 1.617 -37.356 1.00 0.00 C ATOM 416 CG LYS A 24 -6.685 0.904 -38.659 1.00 0.00 C ATOM 417 CD LYS A 24 -7.085 1.885 -39.748 1.00 0.00 C ATOM 418 CE LYS A 24 -7.840 1.193 -40.872 1.00 0.00 C ATOM 419 NZ LYS A 24 -8.481 2.171 -41.794 1.00 0.00 N ATOM 0 H LYS A 24 -5.085 -1.217 -36.684 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.401 0.887 -36.878 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.294 1.798 -36.814 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.934 2.592 -37.581 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.816 0.332 -38.984 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.493 0.191 -38.496 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.707 2.671 -39.320 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.194 2.367 -40.150 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.154 0.560 -41.434 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.603 0.539 -40.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.986 1.660 -42.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.155 2.759 -41.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.751 2.778 -42.218 1.00 0.00 H new ATOM 433 N CYS A 25 -5.061 0.666 -34.059 1.00 0.00 N ATOM 434 CA CYS A 25 -4.995 1.147 -32.683 1.00 0.00 C ATOM 435 C CYS A 25 -3.551 1.417 -32.271 1.00 0.00 C ATOM 436 O CYS A 25 -2.616 0.885 -32.868 1.00 0.00 O ATOM 437 CB CYS A 25 -5.628 0.130 -31.734 1.00 0.00 C ATOM 438 SG CYS A 25 -6.402 0.865 -30.274 1.00 0.00 S ATOM 0 H CYS A 25 -4.851 -0.326 -34.169 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.552 2.082 -32.624 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.378 -0.443 -32.280 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.862 -0.575 -31.410 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.911 -0.074 -29.534 1.00 0.00 H new ATOM 444 N GLN A 26 -3.379 2.246 -31.247 1.00 0.00 N ATOM 445 CA GLN A 26 -2.049 2.588 -30.756 1.00 0.00 C ATOM 446 C GLN A 26 -1.612 1.628 -29.654 1.00 0.00 C ATOM 447 O GLN A 26 -2.386 1.315 -28.748 1.00 0.00 O ATOM 448 CB GLN A 26 -2.028 4.026 -30.235 1.00 0.00 C ATOM 449 CG GLN A 26 -2.927 4.249 -29.029 1.00 0.00 C ATOM 450 CD GLN A 26 -3.442 5.672 -28.940 1.00 0.00 C ATOM 451 OE1 GLN A 26 -4.040 6.188 -29.884 1.00 0.00 O ATOM 452 NE2 GLN A 26 -3.211 6.315 -27.802 1.00 0.00 N ATOM 0 H GLN A 26 -4.143 2.693 -30.741 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.349 2.501 -31.587 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.005 4.293 -29.969 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.335 4.698 -31.036 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.773 3.563 -29.079 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.375 4.009 -28.120 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.711 5.849 -27.045 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.533 7.276 -27.684 1.00 0.00 H new ATOM 461 N CYS A 27 -0.370 1.166 -29.737 1.00 0.00 N ATOM 462 CA CYS A 27 0.169 0.241 -28.747 1.00 0.00 C ATOM 463 C CYS A 27 1.615 0.589 -28.408 1.00 0.00 C ATOM 464 O CYS A 27 2.461 0.704 -29.295 1.00 0.00 O ATOM 465 CB CYS A 27 0.086 -1.197 -29.262 1.00 0.00 C ATOM 466 SG CYS A 27 -1.458 -2.041 -28.847 1.00 0.00 S ATOM 0 H CYS A 27 0.283 1.417 -30.480 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.430 0.330 -27.840 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.205 -1.191 -30.346 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.920 -1.767 -28.853 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.435 -3.249 -29.327 1.00 0.00 H new ATOM 472 N TRP A 28 1.891 0.758 -27.120 1.00 0.00 N ATOM 473 CA TRP A 28 3.234 1.095 -26.664 1.00 0.00 C ATOM 474 C TRP A 28 4.156 -0.118 -26.739 1.00 0.00 C ATOM 475 O TRP A 28 3.783 -1.219 -26.333 1.00 0.00 O ATOM 476 CB TRP A 28 3.190 1.629 -25.231 1.00 0.00 C ATOM 477 CG TRP A 28 2.907 3.098 -25.153 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.683 3.692 -25.035 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.868 4.159 -25.189 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.825 5.058 -24.996 1.00 0.00 N ATOM 481 CE2 TRP A 28 3.155 5.370 -25.088 1.00 0.00 C ATOM 482 CE3 TRP A 28 5.261 4.204 -25.295 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.790 6.609 -25.091 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.889 5.435 -25.298 1.00 0.00 C ATOM 485 CH2 TRP A 28 5.154 6.624 -25.196 1.00 0.00 C ATOM 0 H TRP A 28 1.202 0.667 -26.373 1.00 0.00 H new ATOM 0 HA TRP A 28 3.629 1.870 -27.321 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.425 1.089 -24.673 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.144 1.424 -24.745 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.742 3.165 -24.980 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.063 5.731 -24.912 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.836 3.293 -25.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.225 7.526 -25.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.965 5.482 -25.380 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.674 7.570 -25.200 1.00 0.00 H new ATOM 496 N VAL A 29 5.360 0.091 -27.261 1.00 0.00 N ATOM 497 CA VAL A 29 6.335 -0.985 -27.389 1.00 0.00 C ATOM 498 C VAL A 29 7.363 -0.932 -26.264 1.00 0.00 C ATOM 499 O VAL A 29 8.168 -0.004 -26.190 1.00 0.00 O ATOM 500 CB VAL A 29 7.068 -0.922 -28.742 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.006 -2.109 -28.898 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.067 -0.869 -29.887 1.00 0.00 C ATOM 0 H VAL A 29 5.684 0.996 -27.602 1.00 0.00 H new ATOM 0 HA VAL A 29 5.781 -1.922 -27.328 1.00 0.00 H new ATOM 0 HB VAL A 29 7.667 -0.011 -28.769 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.515 -2.047 -29.860 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.744 -2.097 -28.096 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.432 -3.035 -28.850 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.602 -0.825 -30.836 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.441 -1.761 -29.864 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.441 0.017 -29.782 1.00 0.00 H new ATOM 512 N GLN A 30 7.329 -1.934 -25.391 1.00 0.00 N ATOM 513 CA GLN A 30 8.259 -2.000 -24.269 1.00 0.00 C ATOM 514 C GLN A 30 9.514 -2.778 -24.648 1.00 0.00 C ATOM 515 O GLN A 30 9.482 -4.001 -24.786 1.00 0.00 O ATOM 516 CB GLN A 30 7.586 -2.652 -23.060 1.00 0.00 C ATOM 517 CG GLN A 30 8.522 -2.857 -21.880 1.00 0.00 C ATOM 518 CD GLN A 30 7.825 -3.474 -20.683 1.00 0.00 C ATOM 519 OE1 GLN A 30 6.784 -4.116 -20.819 1.00 0.00 O ATOM 520 NE2 GLN A 30 8.398 -3.282 -19.501 1.00 0.00 N ATOM 0 H GLN A 30 6.669 -2.710 -25.439 1.00 0.00 H new ATOM 0 HA GLN A 30 8.549 -0.982 -24.009 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.747 -2.033 -22.744 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.176 -3.616 -23.359 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.349 -3.498 -22.184 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.952 -1.898 -21.591 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.261 -2.743 -19.434 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.975 -3.674 -18.660 1.00 0.00 H new ATOM 529 N LYS A 31 10.621 -2.061 -24.815 1.00 0.00 N ATOM 530 CA LYS A 31 11.889 -2.683 -25.177 1.00 0.00 C ATOM 531 C LYS A 31 12.626 -3.177 -23.936 1.00 0.00 C ATOM 532 O LYS A 31 12.294 -2.798 -22.814 1.00 0.00 O ATOM 533 CB LYS A 31 12.766 -1.692 -25.944 1.00 0.00 C ATOM 534 CG LYS A 31 12.649 -1.818 -27.453 1.00 0.00 C ATOM 535 CD LYS A 31 13.718 -2.737 -28.021 1.00 0.00 C ATOM 536 CE LYS A 31 13.234 -4.177 -28.090 1.00 0.00 C ATOM 537 NZ LYS A 31 12.087 -4.333 -29.027 1.00 0.00 N ATOM 0 H LYS A 31 10.665 -1.048 -24.705 1.00 0.00 H new ATOM 0 HA LYS A 31 11.676 -3.540 -25.816 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.496 -0.678 -25.650 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.806 -1.841 -25.655 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.662 -2.203 -27.711 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.736 -0.832 -27.909 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.999 -2.398 -29.018 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.613 -2.682 -27.402 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.054 -4.821 -28.409 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.938 -4.508 -27.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.064 -5.308 -29.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.199 -4.128 -28.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.196 -3.672 -29.822 1.00 0.00 H new ATOM 551 N ASN A 32 13.629 -4.023 -24.147 1.00 0.00 N ATOM 552 CA ASN A 32 14.414 -4.567 -23.045 1.00 0.00 C ATOM 553 C ASN A 32 14.931 -3.451 -22.142 1.00 0.00 C ATOM 554 O ASN A 32 14.746 -3.488 -20.925 1.00 0.00 O ATOM 555 CB ASN A 32 15.589 -5.387 -23.584 1.00 0.00 C ATOM 556 CG ASN A 32 16.478 -5.920 -22.477 1.00 0.00 C ATOM 557 OD1 ASN A 32 17.612 -5.472 -22.307 1.00 0.00 O ATOM 558 ND2 ASN A 32 15.965 -6.882 -21.719 1.00 0.00 N ATOM 0 H ASN A 32 13.917 -4.347 -25.070 1.00 0.00 H new ATOM 0 HA ASN A 32 13.766 -5.216 -22.456 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.207 -6.221 -24.173 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.183 -4.768 -24.257 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.516 -7.281 -20.959 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.020 -7.222 -21.897 1.00 0.00 H new ATOM 565 N ASP A 33 15.578 -2.461 -22.746 1.00 0.00 N ATOM 566 CA ASP A 33 16.120 -1.333 -21.997 1.00 0.00 C ATOM 567 C ASP A 33 15.770 -0.012 -22.676 1.00 0.00 C ATOM 568 O ASP A 33 16.462 0.990 -22.498 1.00 0.00 O ATOM 569 CB ASP A 33 17.637 -1.465 -21.861 1.00 0.00 C ATOM 570 CG ASP A 33 18.365 -1.125 -23.147 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.822 -1.421 -24.232 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.478 -0.564 -23.069 1.00 0.00 O ATOM 0 H ASP A 33 15.740 -2.416 -23.752 1.00 0.00 H new ATOM 0 HA ASP A 33 15.673 -1.340 -21.003 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.986 -0.808 -21.065 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.885 -2.484 -21.565 1.00 0.00 H new ATOM 577 N GLU A 34 14.693 -0.019 -23.454 1.00 0.00 N ATOM 578 CA GLU A 34 14.253 1.179 -24.161 1.00 0.00 C ATOM 579 C GLU A 34 12.732 1.299 -24.133 1.00 0.00 C ATOM 580 O GLU A 34 12.039 0.415 -23.632 1.00 0.00 O ATOM 581 CB GLU A 34 14.748 1.154 -25.609 1.00 0.00 C ATOM 582 CG GLU A 34 16.175 1.647 -25.773 1.00 0.00 C ATOM 583 CD GLU A 34 16.347 3.091 -25.345 1.00 0.00 C ATOM 584 OE1 GLU A 34 15.398 3.882 -25.535 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.428 3.431 -24.822 1.00 0.00 O ATOM 0 H GLU A 34 14.109 -0.840 -23.611 1.00 0.00 H new ATOM 0 HA GLU A 34 14.678 2.046 -23.655 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.679 0.135 -25.990 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.088 1.769 -26.220 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.843 1.016 -25.186 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.473 1.543 -26.816 1.00 0.00 H new ATOM 592 N GLU A 35 12.222 2.401 -24.674 1.00 0.00 N ATOM 593 CA GLU A 35 10.784 2.638 -24.710 1.00 0.00 C ATOM 594 C GLU A 35 10.368 3.258 -26.041 1.00 0.00 C ATOM 595 O GLU A 35 10.787 4.364 -26.381 1.00 0.00 O ATOM 596 CB GLU A 35 10.367 3.553 -23.556 1.00 0.00 C ATOM 597 CG GLU A 35 10.010 2.803 -22.284 1.00 0.00 C ATOM 598 CD GLU A 35 9.326 3.687 -21.259 1.00 0.00 C ATOM 599 OE1 GLU A 35 10.037 4.395 -20.516 1.00 0.00 O ATOM 600 OE2 GLU A 35 8.078 3.670 -21.200 1.00 0.00 O ATOM 0 H GLU A 35 12.783 3.143 -25.093 1.00 0.00 H new ATOM 0 HA GLU A 35 10.280 1.677 -24.603 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.179 4.248 -23.342 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.510 4.150 -23.868 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.356 1.966 -22.531 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.916 2.382 -21.848 1.00 0.00 H new ATOM 607 N ARG A 36 9.540 2.536 -26.790 1.00 0.00 N ATOM 608 CA ARG A 36 9.068 3.014 -28.084 1.00 0.00 C ATOM 609 C ARG A 36 7.551 2.885 -28.191 1.00 0.00 C ATOM 610 O ARG A 36 6.895 2.377 -27.281 1.00 0.00 O ATOM 611 CB ARG A 36 9.738 2.231 -29.215 1.00 0.00 C ATOM 612 CG ARG A 36 11.015 2.875 -29.728 1.00 0.00 C ATOM 613 CD ARG A 36 12.249 2.228 -29.119 1.00 0.00 C ATOM 614 NE ARG A 36 13.473 2.942 -29.473 1.00 0.00 N ATOM 615 CZ ARG A 36 14.692 2.449 -29.284 1.00 0.00 C ATOM 616 NH1 ARG A 36 14.849 1.247 -28.749 1.00 0.00 N ATOM 617 NH2 ARG A 36 15.757 3.160 -29.632 1.00 0.00 N ATOM 0 H ARG A 36 9.183 1.619 -26.523 1.00 0.00 H new ATOM 0 HA ARG A 36 9.333 4.068 -28.173 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.964 1.224 -28.864 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.035 2.130 -30.042 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.056 2.789 -30.814 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.007 3.939 -29.492 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.146 2.201 -28.034 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.321 1.195 -29.458 1.00 0.00 H new ATOM 0 HE ARG A 36 13.387 3.870 -29.888 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.033 0.697 -28.481 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.786 0.871 -28.605 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.640 4.085 -30.045 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.693 2.781 -29.487 1.00 0.00 H new ATOM 631 N LEU A 37 7.001 3.350 -29.307 1.00 0.00 N ATOM 632 CA LEU A 37 5.561 3.288 -29.533 1.00 0.00 C ATOM 633 C LEU A 37 5.252 2.919 -30.980 1.00 0.00 C ATOM 634 O LEU A 37 5.839 3.471 -31.910 1.00 0.00 O ATOM 635 CB LEU A 37 4.912 4.630 -29.187 1.00 0.00 C ATOM 636 CG LEU A 37 3.495 4.846 -29.718 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.540 3.822 -29.124 1.00 0.00 C ATOM 638 CD2 LEU A 37 3.021 6.259 -29.412 1.00 0.00 C ATOM 0 H LEU A 37 7.530 3.774 -30.069 1.00 0.00 H new ATOM 0 HA LEU A 37 5.150 2.514 -28.885 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.892 4.732 -28.102 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.548 5.428 -29.570 1.00 0.00 H new ATOM 0 HG LEU A 37 3.509 4.714 -30.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.536 3.992 -29.514 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.869 2.818 -29.393 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.529 3.921 -28.039 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.010 6.395 -29.797 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.023 6.418 -28.334 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.690 6.978 -29.886 1.00 0.00 H new ATOM 650 N ALA A 38 4.326 1.983 -31.162 1.00 0.00 N ATOM 651 CA ALA A 38 3.936 1.543 -32.496 1.00 0.00 C ATOM 652 C ALA A 38 2.421 1.415 -32.611 1.00 0.00 C ATOM 653 O ALA A 38 1.700 1.565 -31.625 1.00 0.00 O ATOM 654 CB ALA A 38 4.607 0.220 -32.832 1.00 0.00 C ATOM 0 H ALA A 38 3.832 1.515 -30.402 1.00 0.00 H new ATOM 0 HA ALA A 38 4.265 2.297 -33.211 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.307 -0.097 -33.831 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.690 0.343 -32.800 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.306 -0.535 -32.106 1.00 0.00 H new ATOM 660 N GLU A 39 1.945 1.139 -33.821 1.00 0.00 N ATOM 661 CA GLU A 39 0.515 0.993 -34.064 1.00 0.00 C ATOM 662 C GLU A 39 0.184 -0.421 -34.534 1.00 0.00 C ATOM 663 O GLU A 39 1.062 -1.157 -34.984 1.00 0.00 O ATOM 664 CB GLU A 39 0.045 2.011 -35.105 1.00 0.00 C ATOM 665 CG GLU A 39 -1.310 2.622 -34.790 1.00 0.00 C ATOM 666 CD GLU A 39 -1.664 3.768 -35.718 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.173 3.773 -36.867 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.430 4.659 -35.297 1.00 0.00 O ATOM 0 H GLU A 39 2.529 1.012 -34.648 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.007 1.177 -33.125 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.785 2.808 -35.181 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.002 1.526 -36.080 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.077 1.851 -34.862 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.313 2.979 -33.760 1.00 0.00 H new ATOM 675 N ILE A 40 -1.087 -0.792 -34.425 1.00 0.00 N ATOM 676 CA ILE A 40 -1.534 -2.116 -34.840 1.00 0.00 C ATOM 677 C ILE A 40 -2.181 -2.071 -36.220 1.00 0.00 C ATOM 678 O ILE A 40 -3.176 -1.376 -36.429 1.00 0.00 O ATOM 679 CB ILE A 40 -2.536 -2.712 -33.834 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.897 -2.825 -32.449 1.00 0.00 C ATOM 681 CG2 ILE A 40 -3.021 -4.073 -34.312 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.741 -3.799 -32.394 1.00 0.00 C ATOM 0 H ILE A 40 -1.825 -0.195 -34.053 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.649 -2.751 -34.878 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.396 -2.046 -33.763 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.547 -1.841 -32.138 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.657 -3.135 -31.731 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.729 -4.481 -33.590 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.511 -3.965 -35.280 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.171 -4.749 -34.409 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.337 -3.828 -31.382 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.089 -4.793 -32.674 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.038 -3.479 -33.086 1.00 0.00 H new ATOM 694 N LEU A 41 -1.611 -2.818 -37.159 1.00 0.00 N ATOM 695 CA LEU A 41 -2.133 -2.866 -38.520 1.00 0.00 C ATOM 696 C LEU A 41 -2.955 -4.131 -38.743 1.00 0.00 C ATOM 697 O LEU A 41 -4.176 -4.072 -38.893 1.00 0.00 O ATOM 698 CB LEU A 41 -0.986 -2.805 -39.530 1.00 0.00 C ATOM 699 CG LEU A 41 -0.295 -1.449 -39.680 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.843 -1.538 -40.684 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.298 -0.384 -40.100 1.00 0.00 C ATOM 0 H LEU A 41 -0.787 -3.399 -37.003 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.782 -2.002 -38.664 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.236 -3.543 -39.243 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.371 -3.104 -40.505 1.00 0.00 H new ATOM 0 HG LEU A 41 0.123 -1.166 -38.714 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.323 -0.564 -40.777 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.574 -2.271 -40.342 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.450 -1.843 -41.654 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.789 0.575 -40.202 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.745 -0.661 -41.055 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.079 -0.302 -39.344 1.00 0.00 H new ATOM 713 N SER A 42 -2.279 -5.275 -38.763 1.00 0.00 N ATOM 714 CA SER A 42 -2.946 -6.555 -38.969 1.00 0.00 C ATOM 715 C SER A 42 -2.669 -7.506 -37.809 1.00 0.00 C ATOM 716 O SER A 42 -1.716 -7.318 -37.052 1.00 0.00 O ATOM 717 CB SER A 42 -2.485 -7.189 -40.283 1.00 0.00 C ATOM 718 OG SER A 42 -3.491 -8.028 -40.825 1.00 0.00 O ATOM 0 H SER A 42 -1.269 -5.342 -38.639 1.00 0.00 H new ATOM 0 HA SER A 42 -4.019 -6.372 -39.018 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.234 -6.407 -41.000 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.577 -7.768 -40.112 1.00 0.00 H new ATOM 0 HG SER A 42 -3.173 -8.420 -41.665 1.00 0.00 H new ATOM 724 N ILE A 43 -3.509 -8.527 -37.675 1.00 0.00 N ATOM 725 CA ILE A 43 -3.355 -9.508 -36.608 1.00 0.00 C ATOM 726 C ILE A 43 -3.339 -10.927 -37.165 1.00 0.00 C ATOM 727 O ILE A 43 -3.915 -11.199 -38.218 1.00 0.00 O ATOM 728 CB ILE A 43 -4.484 -9.389 -35.567 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.716 -7.922 -35.200 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.148 -10.204 -34.327 1.00 0.00 C ATOM 731 CD1 ILE A 43 -3.464 -7.207 -34.744 1.00 0.00 C ATOM 0 H ILE A 43 -4.303 -8.696 -38.292 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.401 -9.300 -36.123 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.402 -9.785 -36.001 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.128 -7.401 -36.064 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.464 -7.868 -34.409 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.955 -10.110 -33.600 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.027 -11.252 -34.602 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.221 -9.835 -33.889 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.704 -6.172 -34.501 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.063 -7.704 -33.861 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.721 -7.229 -35.542 1.00 0.00 H new ATOM 743 N ASN A 44 -2.677 -11.830 -36.449 1.00 0.00 N ATOM 744 CA ASN A 44 -2.587 -13.224 -36.870 1.00 0.00 C ATOM 745 C ASN A 44 -2.875 -14.165 -35.705 1.00 0.00 C ATOM 746 O ASN A 44 -2.266 -14.057 -34.639 1.00 0.00 O ATOM 747 CB ASN A 44 -1.199 -13.516 -37.445 1.00 0.00 C ATOM 748 CG ASN A 44 -1.130 -13.272 -38.940 1.00 0.00 C ATOM 749 OD1 ASN A 44 -1.276 -14.198 -39.739 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.905 -12.021 -39.326 1.00 0.00 N ATOM 0 H ASN A 44 -2.195 -11.622 -35.575 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.337 -13.393 -37.643 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.462 -12.890 -36.943 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.933 -14.552 -37.236 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.847 -11.796 -40.319 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.790 -11.285 -38.629 1.00 0.00 H new ATOM 757 N THR A 45 -3.808 -15.088 -35.913 1.00 0.00 N ATOM 758 CA THR A 45 -4.178 -16.048 -34.881 1.00 0.00 C ATOM 759 C THR A 45 -3.852 -17.473 -35.312 1.00 0.00 C ATOM 760 O THR A 45 -4.655 -18.387 -35.128 1.00 0.00 O ATOM 761 CB THR A 45 -5.678 -15.957 -34.541 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.455 -15.981 -35.743 1.00 0.00 O ATOM 763 CG2 THR A 45 -5.980 -14.687 -33.760 1.00 0.00 C ATOM 0 H THR A 45 -4.322 -15.191 -36.788 1.00 0.00 H new ATOM 0 HA THR A 45 -3.596 -15.798 -33.994 1.00 0.00 H new ATOM 0 HB THR A 45 -5.941 -16.815 -33.923 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.407 -15.925 -35.518 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.045 -14.645 -33.531 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.409 -14.687 -32.831 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.702 -13.818 -34.357 1.00 0.00 H new ATOM 771 N ARG A 46 -2.667 -17.656 -35.887 1.00 0.00 N ATOM 772 CA ARG A 46 -2.235 -18.971 -36.345 1.00 0.00 C ATOM 773 C ARG A 46 -1.243 -19.589 -35.365 1.00 0.00 C ATOM 774 O ARG A 46 -0.583 -20.582 -35.675 1.00 0.00 O ATOM 775 CB ARG A 46 -1.601 -18.867 -37.733 1.00 0.00 C ATOM 776 CG ARG A 46 -1.611 -20.176 -38.507 1.00 0.00 C ATOM 777 CD ARG A 46 -3.004 -20.509 -39.019 1.00 0.00 C ATOM 778 NE ARG A 46 -2.962 -21.229 -40.289 1.00 0.00 N ATOM 779 CZ ARG A 46 -4.036 -21.467 -41.034 1.00 0.00 C ATOM 780 NH1 ARG A 46 -5.228 -21.044 -40.639 1.00 0.00 N ATOM 781 NH2 ARG A 46 -3.917 -22.129 -42.178 1.00 0.00 N ATOM 0 H ARG A 46 -1.990 -16.910 -36.046 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.112 -19.616 -36.401 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.132 -18.110 -38.310 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.572 -18.524 -37.628 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.920 -20.109 -39.347 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.255 -20.982 -37.865 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.528 -21.112 -38.278 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.575 -19.589 -39.143 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.059 -21.567 -40.622 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.323 -20.534 -39.761 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.051 -21.228 -41.213 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.001 -22.455 -42.486 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.742 -22.312 -42.750 1.00 0.00 H new ATOM 795 N LYS A 47 -1.141 -18.995 -34.181 1.00 0.00 N ATOM 796 CA LYS A 47 -0.229 -19.486 -33.154 1.00 0.00 C ATOM 797 C LYS A 47 -0.710 -19.085 -31.763 1.00 0.00 C ATOM 798 O LYS A 47 -1.713 -18.386 -31.620 1.00 0.00 O ATOM 799 CB LYS A 47 1.182 -18.945 -33.394 1.00 0.00 C ATOM 800 CG LYS A 47 2.028 -19.830 -34.293 1.00 0.00 C ATOM 801 CD LYS A 47 3.495 -19.440 -34.238 1.00 0.00 C ATOM 802 CE LYS A 47 4.401 -20.657 -34.345 1.00 0.00 C ATOM 803 NZ LYS A 47 5.791 -20.283 -34.724 1.00 0.00 N ATOM 0 H LYS A 47 -1.679 -18.172 -33.908 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.208 -20.574 -33.212 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.111 -17.952 -33.839 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.686 -18.829 -32.434 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.916 -20.871 -33.990 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.669 -19.756 -35.320 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.719 -18.747 -35.049 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.698 -18.915 -33.305 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.414 -21.185 -33.391 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.996 -21.347 -35.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.376 -21.140 -34.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.782 -19.802 -35.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.187 -19.645 -34.005 1.00 0.00 H new ATOM 817 N ALA A 48 0.014 -19.529 -30.741 1.00 0.00 N ATOM 818 CA ALA A 48 -0.337 -19.212 -29.362 1.00 0.00 C ATOM 819 C ALA A 48 0.908 -18.912 -28.534 1.00 0.00 C ATOM 820 O ALA A 48 1.760 -19.774 -28.314 1.00 0.00 O ATOM 821 CB ALA A 48 -1.122 -20.358 -28.741 1.00 0.00 C ATOM 0 H ALA A 48 0.847 -20.109 -30.842 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.962 -18.319 -29.368 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.378 -20.108 -27.711 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.036 -20.524 -29.312 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.516 -21.264 -28.755 1.00 0.00 H new ATOM 827 N PRO A 49 1.020 -17.661 -28.064 1.00 0.00 N ATOM 828 CA PRO A 49 0.013 -16.627 -28.320 1.00 0.00 C ATOM 829 C PRO A 49 -0.003 -16.182 -29.778 1.00 0.00 C ATOM 830 O PRO A 49 0.897 -16.495 -30.558 1.00 0.00 O ATOM 831 CB PRO A 49 0.451 -15.473 -27.414 1.00 0.00 C ATOM 832 CG PRO A 49 1.916 -15.672 -27.229 1.00 0.00 C ATOM 833 CD PRO A 49 2.137 -17.160 -27.247 1.00 0.00 C ATOM 0 HA PRO A 49 -0.997 -16.984 -28.121 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.237 -14.507 -27.872 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.075 -15.497 -26.460 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.480 -15.184 -28.024 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.253 -15.239 -26.287 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.102 -17.418 -27.684 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.120 -17.581 -26.242 1.00 0.00 H new ATOM 841 N PRO A 50 -1.049 -15.433 -30.158 1.00 0.00 N ATOM 842 CA PRO A 50 -1.207 -14.928 -31.525 1.00 0.00 C ATOM 843 C PRO A 50 -0.185 -13.848 -31.866 1.00 0.00 C ATOM 844 O PRO A 50 0.421 -13.249 -30.977 1.00 0.00 O ATOM 845 CB PRO A 50 -2.622 -14.344 -31.527 1.00 0.00 C ATOM 846 CG PRO A 50 -2.889 -13.995 -30.103 1.00 0.00 C ATOM 847 CD PRO A 50 -2.158 -15.020 -29.281 1.00 0.00 C ATOM 0 HA PRO A 50 -1.053 -15.710 -32.268 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.687 -13.465 -32.169 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.348 -15.066 -31.901 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.537 -12.989 -29.875 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.958 -14.014 -29.890 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.794 -14.598 -28.344 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.801 -15.861 -29.023 1.00 0.00 H new ATOM 855 N LYS A 51 0.003 -13.605 -33.158 1.00 0.00 N ATOM 856 CA LYS A 51 0.950 -12.596 -33.618 1.00 0.00 C ATOM 857 C LYS A 51 0.231 -11.302 -33.986 1.00 0.00 C ATOM 858 O LYS A 51 -0.988 -11.284 -34.155 1.00 0.00 O ATOM 859 CB LYS A 51 1.736 -13.116 -34.823 1.00 0.00 C ATOM 860 CG LYS A 51 2.570 -14.348 -34.520 1.00 0.00 C ATOM 861 CD LYS A 51 2.528 -15.347 -35.664 1.00 0.00 C ATOM 862 CE LYS A 51 1.204 -16.095 -35.703 1.00 0.00 C ATOM 863 NZ LYS A 51 1.354 -17.457 -36.285 1.00 0.00 N ATOM 0 H LYS A 51 -0.488 -14.094 -33.906 1.00 0.00 H new ATOM 0 HA LYS A 51 1.643 -12.386 -32.803 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.039 -13.349 -35.628 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.391 -12.325 -35.188 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.602 -14.052 -34.332 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.203 -14.821 -33.609 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.681 -14.826 -36.609 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.346 -16.059 -35.557 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.801 -16.174 -34.693 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.483 -15.526 -36.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.670 -18.102 -35.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.177 -17.418 -37.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.319 -17.804 -36.113 1.00 0.00 H new ATOM 877 N PHE A 52 0.994 -10.221 -34.110 1.00 0.00 N ATOM 878 CA PHE A 52 0.430 -8.923 -34.459 1.00 0.00 C ATOM 879 C PHE A 52 1.396 -8.126 -35.330 1.00 0.00 C ATOM 880 O PHE A 52 2.606 -8.354 -35.303 1.00 0.00 O ATOM 881 CB PHE A 52 0.095 -8.131 -33.193 1.00 0.00 C ATOM 882 CG PHE A 52 -0.545 -8.963 -32.118 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.911 -9.192 -32.122 1.00 0.00 C ATOM 884 CD2 PHE A 52 0.220 -9.515 -31.103 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.503 -9.956 -31.134 1.00 0.00 C ATOM 886 CE2 PHE A 52 -0.366 -10.280 -30.112 1.00 0.00 C ATOM 887 CZ PHE A 52 -1.729 -10.502 -30.128 1.00 0.00 C ATOM 0 H PHE A 52 2.005 -10.219 -33.974 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.486 -9.094 -35.025 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.009 -7.685 -32.801 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.574 -7.311 -33.453 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.521 -8.769 -32.906 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.286 -9.346 -31.086 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.569 -10.126 -31.148 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.241 -10.704 -29.326 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.189 -11.101 -29.356 1.00 0.00 H new ATOM 897 N TYR A 53 0.853 -7.191 -36.102 1.00 0.00 N ATOM 898 CA TYR A 53 1.666 -6.362 -36.984 1.00 0.00 C ATOM 899 C TYR A 53 1.853 -4.965 -36.400 1.00 0.00 C ATOM 900 O TYR A 53 0.896 -4.200 -36.271 1.00 0.00 O ATOM 901 CB TYR A 53 1.020 -6.266 -38.367 1.00 0.00 C ATOM 902 CG TYR A 53 1.973 -6.561 -39.503 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.144 -5.830 -39.662 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.704 -7.574 -40.416 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.017 -6.096 -40.699 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.573 -7.848 -41.455 1.00 0.00 C ATOM 907 CZ TYR A 53 3.727 -7.106 -41.592 1.00 0.00 C ATOM 908 OH TYR A 53 4.596 -7.376 -42.625 1.00 0.00 O ATOM 0 H TYR A 53 -0.146 -6.988 -36.135 1.00 0.00 H new ATOM 0 HA TYR A 53 2.646 -6.830 -37.079 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.183 -6.962 -38.417 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.610 -5.265 -38.499 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.376 -5.040 -38.963 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.801 -8.157 -40.312 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.921 -5.516 -40.810 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.349 -8.639 -42.156 1.00 0.00 H new ATOM 0 HH TYR A 53 4.245 -8.117 -43.162 1.00 0.00 H new ATOM 918 N VAL A 54 3.092 -4.638 -36.047 1.00 0.00 N ATOM 919 CA VAL A 54 3.406 -3.333 -35.478 1.00 0.00 C ATOM 920 C VAL A 54 3.892 -2.367 -36.553 1.00 0.00 C ATOM 921 O VAL A 54 4.702 -2.729 -37.408 1.00 0.00 O ATOM 922 CB VAL A 54 4.481 -3.444 -34.380 1.00 0.00 C ATOM 923 CG1 VAL A 54 3.923 -4.157 -33.157 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.712 -4.162 -34.910 1.00 0.00 C ATOM 0 H VAL A 54 3.895 -5.259 -36.145 1.00 0.00 H new ATOM 0 HA VAL A 54 2.485 -2.950 -35.038 1.00 0.00 H new ATOM 0 HB VAL A 54 4.776 -2.438 -34.082 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.696 -4.226 -32.392 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.074 -3.597 -32.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.599 -5.159 -33.437 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.461 -4.231 -34.121 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.436 -5.164 -35.237 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.123 -3.606 -35.752 1.00 0.00 H new ATOM 934 N HIS A 55 3.393 -1.137 -36.505 1.00 0.00 N ATOM 935 CA HIS A 55 3.777 -0.117 -37.474 1.00 0.00 C ATOM 936 C HIS A 55 4.458 1.060 -36.783 1.00 0.00 C ATOM 937 O HIS A 55 4.296 1.266 -35.580 1.00 0.00 O ATOM 938 CB HIS A 55 2.550 0.370 -38.246 1.00 0.00 C ATOM 939 CG HIS A 55 2.887 1.236 -39.421 1.00 0.00 C ATOM 940 ND1 HIS A 55 3.572 0.773 -40.525 1.00 0.00 N ATOM 941 CD2 HIS A 55 2.628 2.542 -39.662 1.00 0.00 C ATOM 942 CE1 HIS A 55 3.721 1.758 -41.393 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.157 2.842 -40.893 1.00 0.00 N ATOM 0 H HIS A 55 2.721 -0.822 -35.805 1.00 0.00 H new ATOM 0 HA HIS A 55 4.484 -0.563 -38.174 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.982 -0.494 -38.592 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.902 0.926 -37.569 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.103 3.222 -39.008 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.219 1.688 -42.349 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.120 3.754 -41.348 1.00 0.00 H new ATOM 951 N TYR A 56 5.221 1.830 -37.551 1.00 0.00 N ATOM 952 CA TYR A 56 5.930 2.984 -37.013 1.00 0.00 C ATOM 953 C TYR A 56 5.180 4.277 -37.321 1.00 0.00 C ATOM 954 O TYR A 56 4.045 4.251 -37.797 1.00 0.00 O ATOM 955 CB TYR A 56 7.346 3.054 -37.587 1.00 0.00 C ATOM 956 CG TYR A 56 7.383 3.339 -39.072 1.00 0.00 C ATOM 957 CD1 TYR A 56 7.344 2.305 -39.999 1.00 0.00 C ATOM 958 CD2 TYR A 56 7.458 4.642 -39.548 1.00 0.00 C ATOM 959 CE1 TYR A 56 7.379 2.560 -41.356 1.00 0.00 C ATOM 960 CE2 TYR A 56 7.492 4.907 -40.903 1.00 0.00 C ATOM 961 CZ TYR A 56 7.452 3.863 -41.803 1.00 0.00 C ATOM 962 OH TYR A 56 7.487 4.122 -43.154 1.00 0.00 O ATOM 0 H TYR A 56 5.364 1.675 -38.549 1.00 0.00 H new ATOM 0 HA TYR A 56 5.990 2.868 -35.931 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.904 3.830 -37.062 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.855 2.110 -37.394 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.285 1.284 -39.652 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.490 5.462 -38.846 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.349 1.744 -42.063 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.550 5.926 -41.256 1.00 0.00 H new ATOM 0 HH TYR A 56 7.537 5.090 -43.300 1.00 0.00 H new ATOM 972 N VAL A 57 5.823 5.407 -37.045 1.00 0.00 N ATOM 973 CA VAL A 57 5.219 6.710 -37.294 1.00 0.00 C ATOM 974 C VAL A 57 6.283 7.764 -37.579 1.00 0.00 C ATOM 975 O VAL A 57 6.969 8.230 -36.669 1.00 0.00 O ATOM 976 CB VAL A 57 4.364 7.170 -36.098 1.00 0.00 C ATOM 977 CG1 VAL A 57 3.051 6.403 -36.054 1.00 0.00 C ATOM 978 CG2 VAL A 57 5.134 7.001 -34.797 1.00 0.00 C ATOM 0 H VAL A 57 6.762 5.446 -36.649 1.00 0.00 H new ATOM 0 HA VAL A 57 4.578 6.600 -38.169 1.00 0.00 H new ATOM 0 HB VAL A 57 4.135 8.228 -36.223 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.460 6.741 -35.203 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.495 6.580 -36.975 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.255 5.337 -35.953 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.515 7.331 -33.962 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.395 5.951 -34.663 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.044 7.600 -34.832 1.00 0.00 H new ATOM 988 N ASN A 58 6.416 8.135 -38.848 1.00 0.00 N ATOM 989 CA ASN A 58 7.398 9.135 -39.253 1.00 0.00 C ATOM 990 C ASN A 58 8.809 8.695 -38.875 1.00 0.00 C ATOM 991 O ASN A 58 9.540 9.425 -38.205 1.00 0.00 O ATOM 992 CB ASN A 58 7.081 10.484 -38.605 1.00 0.00 C ATOM 993 CG ASN A 58 6.021 11.256 -39.365 1.00 0.00 C ATOM 994 OD1 ASN A 58 5.986 11.236 -40.596 1.00 0.00 O ATOM 995 ND2 ASN A 58 5.150 11.942 -38.634 1.00 0.00 N ATOM 0 H ASN A 58 5.857 7.759 -39.613 1.00 0.00 H new ATOM 0 HA ASN A 58 7.347 9.240 -40.337 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.744 10.322 -37.581 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.992 11.081 -38.550 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.414 12.481 -39.090 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.217 11.930 -37.616 1.00 0.00 H new ATOM 1002 N TYR A 59 9.186 7.498 -39.310 1.00 0.00 N ATOM 1003 CA TYR A 59 10.509 6.960 -39.016 1.00 0.00 C ATOM 1004 C TYR A 59 10.917 5.920 -40.055 1.00 0.00 C ATOM 1005 O TYR A 59 10.266 5.768 -41.087 1.00 0.00 O ATOM 1006 CB TYR A 59 10.531 6.337 -37.619 1.00 0.00 C ATOM 1007 CG TYR A 59 11.762 6.693 -36.816 1.00 0.00 C ATOM 1008 CD1 TYR A 59 12.076 8.018 -36.541 1.00 0.00 C ATOM 1009 CD2 TYR A 59 12.609 5.705 -36.332 1.00 0.00 C ATOM 1010 CE1 TYR A 59 13.200 8.348 -35.809 1.00 0.00 C ATOM 1011 CE2 TYR A 59 13.735 6.025 -35.598 1.00 0.00 C ATOM 1012 CZ TYR A 59 14.026 7.348 -35.339 1.00 0.00 C ATOM 1013 OH TYR A 59 15.146 7.673 -34.608 1.00 0.00 O ATOM 0 H TYR A 59 8.594 6.882 -39.867 1.00 0.00 H new ATOM 0 HA TYR A 59 11.224 7.782 -39.051 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.645 6.660 -37.072 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.470 5.253 -37.713 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.430 8.803 -36.906 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.384 4.668 -36.533 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.431 9.383 -35.606 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.383 5.244 -35.229 1.00 0.00 H new ATOM 0 HH TYR A 59 15.618 6.854 -34.352 1.00 0.00 H new ATOM 1023 N ASN A 60 12.001 5.204 -39.772 1.00 0.00 N ATOM 1024 CA ASN A 60 12.498 4.178 -40.681 1.00 0.00 C ATOM 1025 C ASN A 60 11.397 3.179 -41.028 1.00 0.00 C ATOM 1026 O ASN A 60 10.302 3.227 -40.468 1.00 0.00 O ATOM 1027 CB ASN A 60 13.687 3.446 -40.056 1.00 0.00 C ATOM 1028 CG ASN A 60 14.937 4.304 -40.013 1.00 0.00 C ATOM 1029 OD1 ASN A 60 14.934 5.397 -39.445 1.00 0.00 O ATOM 1030 ND2 ASN A 60 16.013 3.813 -40.616 1.00 0.00 N ATOM 0 H ASN A 60 12.551 5.316 -38.921 1.00 0.00 H new ATOM 0 HA ASN A 60 12.823 4.668 -41.599 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.428 3.136 -39.044 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.892 2.539 -40.625 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.883 4.346 -40.621 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.970 2.903 -41.074 1.00 0.00 H new ATOM 1037 N LYS A 61 11.697 2.275 -41.954 1.00 0.00 N ATOM 1038 CA LYS A 61 10.735 1.263 -42.375 1.00 0.00 C ATOM 1039 C LYS A 61 11.007 -0.068 -41.682 1.00 0.00 C ATOM 1040 O LYS A 61 10.136 -0.935 -41.619 1.00 0.00 O ATOM 1041 CB LYS A 61 10.788 1.080 -43.894 1.00 0.00 C ATOM 1042 CG LYS A 61 9.708 0.159 -44.434 1.00 0.00 C ATOM 1043 CD LYS A 61 9.788 0.032 -45.946 1.00 0.00 C ATOM 1044 CE LYS A 61 11.010 -0.765 -46.374 1.00 0.00 C ATOM 1045 NZ LYS A 61 10.950 -1.143 -47.813 1.00 0.00 N ATOM 0 H LYS A 61 12.599 2.222 -42.428 1.00 0.00 H new ATOM 0 HA LYS A 61 9.739 1.603 -42.091 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.695 2.055 -44.372 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.764 0.682 -44.170 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.808 -0.827 -43.979 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.727 0.542 -44.152 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.886 -0.453 -46.320 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.825 1.025 -46.394 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.909 -0.177 -46.190 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.088 -1.666 -45.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.801 -1.685 -48.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.105 -1.725 -47.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.902 -0.283 -48.396 1.00 0.00 H new ATOM 1059 N ARG A 62 12.220 -0.222 -41.162 1.00 0.00 N ATOM 1060 CA ARG A 62 12.606 -1.447 -40.473 1.00 0.00 C ATOM 1061 C ARG A 62 11.656 -1.743 -39.316 1.00 0.00 C ATOM 1062 O ARG A 62 11.494 -2.895 -38.911 1.00 0.00 O ATOM 1063 CB ARG A 62 14.041 -1.335 -39.953 1.00 0.00 C ATOM 1064 CG ARG A 62 14.268 -0.135 -39.049 1.00 0.00 C ATOM 1065 CD ARG A 62 15.440 -0.362 -38.106 1.00 0.00 C ATOM 1066 NE ARG A 62 15.044 -1.099 -36.909 1.00 0.00 N ATOM 1067 CZ ARG A 62 15.892 -1.451 -35.949 1.00 0.00 C ATOM 1068 NH1 ARG A 62 17.176 -1.134 -36.045 1.00 0.00 N ATOM 1069 NH2 ARG A 62 15.457 -2.121 -34.890 1.00 0.00 N ATOM 0 H ARG A 62 12.952 0.487 -41.205 1.00 0.00 H new ATOM 0 HA ARG A 62 12.549 -2.269 -41.187 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.293 -2.244 -39.406 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.722 -1.274 -40.802 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.455 0.750 -39.657 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.366 0.061 -38.469 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.224 -0.912 -38.627 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.864 0.600 -37.816 1.00 0.00 H new ATOM 0 HE ARG A 62 14.063 -1.358 -36.804 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.515 -0.619 -36.857 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.825 -1.406 -35.306 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.470 -2.367 -34.812 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.109 -2.391 -34.154 1.00 0.00 H new ATOM 1083 N LEU A 63 11.031 -0.697 -38.789 1.00 0.00 N ATOM 1084 CA LEU A 63 10.097 -0.844 -37.678 1.00 0.00 C ATOM 1085 C LEU A 63 8.774 -1.435 -38.154 1.00 0.00 C ATOM 1086 O LEU A 63 8.024 -2.016 -37.369 1.00 0.00 O ATOM 1087 CB LEU A 63 9.852 0.510 -37.009 1.00 0.00 C ATOM 1088 CG LEU A 63 10.878 0.935 -35.958 1.00 0.00 C ATOM 1089 CD1 LEU A 63 10.549 2.318 -35.419 1.00 0.00 C ATOM 1090 CD2 LEU A 63 10.935 -0.081 -34.827 1.00 0.00 C ATOM 0 H LEU A 63 11.154 0.262 -39.113 1.00 0.00 H new ATOM 0 HA LEU A 63 10.539 -1.526 -36.952 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.818 1.275 -37.785 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.869 0.488 -36.540 1.00 0.00 H new ATOM 0 HG LEU A 63 11.859 0.977 -36.432 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.290 2.603 -34.672 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.561 3.039 -36.236 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.560 2.304 -34.962 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.670 0.238 -34.088 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.955 -0.155 -34.355 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.220 -1.054 -35.226 1.00 0.00 H new ATOM 1102 N ASP A 64 8.495 -1.285 -39.444 1.00 0.00 N ATOM 1103 CA ASP A 64 7.264 -1.807 -40.026 1.00 0.00 C ATOM 1104 C ASP A 64 7.325 -3.326 -40.155 1.00 0.00 C ATOM 1105 O ASP A 64 7.529 -3.857 -41.246 1.00 0.00 O ATOM 1106 CB ASP A 64 7.014 -1.176 -41.396 1.00 0.00 C ATOM 1107 CG ASP A 64 5.598 -1.401 -41.889 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.981 -2.408 -41.481 1.00 0.00 O ATOM 1109 OD2 ASP A 64 5.107 -0.570 -42.681 1.00 0.00 O ATOM 0 H ASP A 64 9.105 -0.806 -40.107 1.00 0.00 H new ATOM 0 HA ASP A 64 6.440 -1.550 -39.361 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.210 -0.105 -41.341 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.717 -1.592 -42.118 1.00 0.00 H new ATOM 1114 N GLU A 65 7.148 -4.018 -39.034 1.00 0.00 N ATOM 1115 CA GLU A 65 7.185 -5.475 -39.022 1.00 0.00 C ATOM 1116 C GLU A 65 6.109 -6.040 -38.100 1.00 0.00 C ATOM 1117 O GLU A 65 5.300 -5.297 -37.545 1.00 0.00 O ATOM 1118 CB GLU A 65 8.564 -5.969 -38.578 1.00 0.00 C ATOM 1119 CG GLU A 65 9.033 -5.363 -37.266 1.00 0.00 C ATOM 1120 CD GLU A 65 8.471 -6.085 -36.056 1.00 0.00 C ATOM 1121 OE1 GLU A 65 8.198 -7.299 -36.164 1.00 0.00 O ATOM 1122 OE2 GLU A 65 8.304 -5.436 -35.003 1.00 0.00 O ATOM 0 H GLU A 65 6.978 -3.593 -38.123 1.00 0.00 H new ATOM 0 HA GLU A 65 6.990 -5.826 -40.036 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.537 -7.054 -38.479 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.292 -5.738 -39.356 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.122 -5.389 -37.227 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.738 -4.314 -37.228 1.00 0.00 H new ATOM 1129 N TRP A 66 6.107 -7.359 -37.941 1.00 0.00 N ATOM 1130 CA TRP A 66 5.130 -8.024 -37.086 1.00 0.00 C ATOM 1131 C TRP A 66 5.823 -8.833 -35.995 1.00 0.00 C ATOM 1132 O TRP A 66 6.825 -9.503 -36.249 1.00 0.00 O ATOM 1133 CB TRP A 66 4.229 -8.936 -37.920 1.00 0.00 C ATOM 1134 CG TRP A 66 4.990 -9.931 -38.744 1.00 0.00 C ATOM 1135 CD1 TRP A 66 5.713 -9.677 -39.874 1.00 0.00 C ATOM 1136 CD2 TRP A 66 5.102 -11.338 -38.501 1.00 0.00 C ATOM 1137 NE1 TRP A 66 6.267 -10.842 -40.349 1.00 0.00 N ATOM 1138 CE2 TRP A 66 5.908 -11.874 -39.524 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.601 -12.195 -37.518 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 6.221 -13.229 -39.590 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 4.913 -13.540 -37.585 1.00 0.00 C ATOM 1142 CH2 TRP A 66 5.718 -14.046 -38.615 1.00 0.00 C ATOM 0 H TRP A 66 6.770 -7.989 -38.393 1.00 0.00 H new ATOM 0 HA TRP A 66 4.518 -7.257 -36.611 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.549 -9.469 -37.255 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.614 -8.323 -38.579 1.00 0.00 H new ATOM 0 HD1 TRP A 66 5.832 -8.704 -40.328 1.00 0.00 H new ATOM 0 HE1 TRP A 66 6.851 -10.924 -41.181 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.981 -11.814 -36.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.840 -13.621 -40.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.530 -14.212 -36.831 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.946 -15.101 -38.639 1.00 0.00 H new ATOM 1153 N ILE A 67 5.284 -8.766 -34.783 1.00 0.00 N ATOM 1154 CA ILE A 67 5.851 -9.494 -33.654 1.00 0.00 C ATOM 1155 C ILE A 67 4.757 -10.132 -32.806 1.00 0.00 C ATOM 1156 O ILE A 67 3.570 -10.023 -33.118 1.00 0.00 O ATOM 1157 CB ILE A 67 6.706 -8.574 -32.763 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.955 -7.275 -32.464 1.00 0.00 C ATOM 1159 CG2 ILE A 67 8.040 -8.279 -33.432 1.00 0.00 C ATOM 1160 CD1 ILE A 67 6.520 -6.506 -31.291 1.00 0.00 C ATOM 0 H ILE A 67 4.456 -8.215 -34.557 1.00 0.00 H new ATOM 0 HA ILE A 67 6.487 -10.276 -34.070 1.00 0.00 H new ATOM 0 HB ILE A 67 6.900 -9.085 -31.820 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.978 -6.640 -33.349 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.909 -7.507 -32.266 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.633 -7.628 -32.790 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.578 -9.212 -33.598 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.866 -7.785 -34.388 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.938 -5.597 -31.138 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.472 -7.123 -30.394 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.558 -6.242 -31.495 1.00 0.00 H new ATOM 1172 N THR A 68 5.162 -10.797 -31.728 1.00 0.00 N ATOM 1173 CA THR A 68 4.217 -11.452 -30.833 1.00 0.00 C ATOM 1174 C THR A 68 3.952 -10.602 -29.596 1.00 0.00 C ATOM 1175 O THR A 68 4.473 -9.493 -29.468 1.00 0.00 O ATOM 1176 CB THR A 68 4.728 -12.836 -30.392 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.882 -12.689 -29.557 1.00 0.00 O ATOM 1178 CG2 THR A 68 5.074 -13.695 -31.598 1.00 0.00 C ATOM 0 H THR A 68 6.140 -10.896 -31.454 1.00 0.00 H new ATOM 0 HA THR A 68 3.288 -11.577 -31.390 1.00 0.00 H new ATOM 0 HB THR A 68 3.935 -13.330 -29.831 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.200 -13.574 -29.279 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.433 -14.668 -31.261 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.186 -13.830 -32.216 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.852 -13.204 -32.183 1.00 0.00 H new ATOM 1186 N THR A 69 3.139 -11.128 -28.685 1.00 0.00 N ATOM 1187 CA THR A 69 2.805 -10.417 -27.457 1.00 0.00 C ATOM 1188 C THR A 69 3.977 -10.422 -26.483 1.00 0.00 C ATOM 1189 O THR A 69 4.045 -9.593 -25.575 1.00 0.00 O ATOM 1190 CB THR A 69 1.575 -11.037 -26.767 1.00 0.00 C ATOM 1191 OG1 THR A 69 1.344 -10.394 -25.508 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.771 -12.530 -26.550 1.00 0.00 C ATOM 0 H THR A 69 2.700 -12.044 -28.775 1.00 0.00 H new ATOM 0 HA THR A 69 2.575 -9.389 -27.738 1.00 0.00 H new ATOM 0 HB THR A 69 0.711 -10.890 -27.414 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.560 -10.793 -25.076 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.890 -12.945 -26.061 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.918 -13.021 -27.512 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.646 -12.694 -25.921 1.00 0.00 H new ATOM 1200 N ASP A 70 4.898 -11.359 -26.677 1.00 0.00 N ATOM 1201 CA ASP A 70 6.069 -11.470 -25.815 1.00 0.00 C ATOM 1202 C ASP A 70 6.863 -10.168 -25.807 1.00 0.00 C ATOM 1203 O ASP A 70 7.606 -9.888 -24.866 1.00 0.00 O ATOM 1204 CB ASP A 70 6.961 -12.624 -26.277 1.00 0.00 C ATOM 1205 CG ASP A 70 8.175 -12.809 -25.388 1.00 0.00 C ATOM 1206 OD1 ASP A 70 8.000 -13.227 -24.224 1.00 0.00 O ATOM 1207 OD2 ASP A 70 9.300 -12.537 -25.856 1.00 0.00 O ATOM 0 H ASP A 70 4.857 -12.053 -27.424 1.00 0.00 H new ATOM 0 HA ASP A 70 5.725 -11.671 -24.800 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.380 -13.546 -26.290 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.288 -12.439 -27.300 1.00 0.00 H new ATOM 1212 N ARG A 71 6.703 -9.377 -26.863 1.00 0.00 N ATOM 1213 CA ARG A 71 7.407 -8.105 -26.978 1.00 0.00 C ATOM 1214 C ARG A 71 6.424 -6.937 -26.970 1.00 0.00 C ATOM 1215 O ARG A 71 6.818 -5.783 -26.799 1.00 0.00 O ATOM 1216 CB ARG A 71 8.241 -8.074 -28.260 1.00 0.00 C ATOM 1217 CG ARG A 71 9.231 -9.223 -28.370 1.00 0.00 C ATOM 1218 CD ARG A 71 10.456 -8.988 -27.500 1.00 0.00 C ATOM 1219 NE ARG A 71 10.211 -9.341 -26.104 1.00 0.00 N ATOM 1220 CZ ARG A 71 11.111 -9.189 -25.139 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.308 -8.692 -25.417 1.00 0.00 N ATOM 1222 NH2 ARG A 71 10.814 -9.533 -23.893 1.00 0.00 N ATOM 0 H ARG A 71 6.093 -9.594 -27.651 1.00 0.00 H new ATOM 0 HA ARG A 71 8.070 -8.006 -26.118 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.571 -8.099 -29.120 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.785 -7.131 -28.307 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.746 -10.153 -28.073 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.539 -9.342 -29.409 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.290 -9.577 -27.882 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.750 -7.940 -27.563 1.00 0.00 H new ATOM 0 HE ARG A 71 9.299 -9.725 -25.857 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.540 -8.425 -26.374 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.997 -8.576 -24.674 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.894 -9.915 -23.675 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.506 -9.416 -23.153 1.00 0.00 H new ATOM 1236 N ILE A 72 5.145 -7.246 -27.157 1.00 0.00 N ATOM 1237 CA ILE A 72 4.108 -6.222 -27.170 1.00 0.00 C ATOM 1238 C ILE A 72 3.382 -6.158 -25.831 1.00 0.00 C ATOM 1239 O ILE A 72 3.165 -7.179 -25.181 1.00 0.00 O ATOM 1240 CB ILE A 72 3.079 -6.479 -28.287 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.771 -6.509 -29.651 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.993 -5.413 -28.262 1.00 0.00 C ATOM 1243 CD1 ILE A 72 2.860 -6.933 -30.782 1.00 0.00 C ATOM 0 H ILE A 72 4.803 -8.196 -27.301 1.00 0.00 H new ATOM 0 HA ILE A 72 4.606 -5.270 -27.356 1.00 0.00 H new ATOM 0 HB ILE A 72 2.613 -7.449 -28.115 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.170 -5.518 -29.869 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.620 -7.191 -29.604 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.273 -5.608 -29.057 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.484 -5.435 -27.298 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.443 -4.432 -28.413 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.418 -6.931 -31.719 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.481 -7.936 -30.587 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.024 -6.237 -30.856 1.00 0.00 H new ATOM 1255 N ASN A 73 3.006 -4.949 -25.425 1.00 0.00 N ATOM 1256 CA ASN A 73 2.303 -4.751 -24.163 1.00 0.00 C ATOM 1257 C ASN A 73 0.934 -4.119 -24.397 1.00 0.00 C ATOM 1258 O ASN A 73 0.825 -3.058 -25.013 1.00 0.00 O ATOM 1259 CB ASN A 73 3.131 -3.868 -23.227 1.00 0.00 C ATOM 1260 CG ASN A 73 2.582 -3.850 -21.813 1.00 0.00 C ATOM 1261 OD1 ASN A 73 2.091 -4.862 -21.313 1.00 0.00 O ATOM 1262 ND2 ASN A 73 2.662 -2.695 -21.163 1.00 0.00 N ATOM 0 H ASN A 73 3.177 -4.092 -25.952 1.00 0.00 H new ATOM 0 HA ASN A 73 2.159 -5.727 -23.699 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.160 -4.227 -23.210 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.154 -2.851 -23.618 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.308 -2.621 -20.209 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.077 -1.882 -21.617 1.00 0.00 H new ATOM 1269 N LEU A 74 -0.108 -4.777 -23.900 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.471 -4.280 -24.054 1.00 0.00 C ATOM 1271 C LEU A 74 -1.603 -2.870 -23.488 1.00 0.00 C ATOM 1272 O LEU A 74 -0.641 -2.308 -22.964 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.458 -5.217 -23.355 1.00 0.00 C ATOM 1274 CG LEU A 74 -3.782 -5.458 -24.080 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -3.757 -6.791 -24.810 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -4.944 -5.407 -23.098 1.00 0.00 C ATOM 0 H LEU A 74 -0.035 -5.656 -23.387 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.702 -4.247 -25.119 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.969 -6.179 -23.203 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.676 -4.811 -22.367 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.920 -4.667 -24.817 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.708 -6.945 -25.320 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.949 -6.790 -25.542 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.596 -7.596 -24.093 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.879 -5.581 -23.631 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.812 -6.177 -22.337 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.975 -4.427 -22.621 1.00 0.00 H new