USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 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 55 HIS : no HD1:sc= -1.14 K(o=-5.6,f=-4.1) USER MOD Set 1.2: A 60 ASN : amide:sc= -4.45 K(o=-5.6,f=-6.4!) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.869 K(o=-1.5,f=-0.47) USER MOD Set 2.2: A 73 ASN : amide:sc= -0.596 K(o=-1.5,f=-5.2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -158:sc= -0.176 (180deg=-0.79) 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= -0.0469 USER MOD Single : A 26 GLN : amide:sc= -2.02 K(o=-2,f=-1.3) USER MOD Single : A 27 CYS SG : rot 160:sc= -0.293 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc=-0.00015 X(o=-0.00015,f=-0.014) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0295 X(o=-0.029,f=-0.32) 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+ 155:sc= -0.353 (180deg=-1.49) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.518 USER MOD Single : A 58 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.46) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 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 19:sc= 0.45 USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 2.447 -20.518 -24.495 1.00 0.00 N ATOM 198 CA VAL A 10 1.798 -19.272 -24.103 1.00 0.00 C ATOM 199 C VAL A 10 2.441 -18.688 -22.850 1.00 0.00 C ATOM 200 O VAL A 10 3.037 -19.398 -22.040 1.00 0.00 O ATOM 201 CB VAL A 10 0.294 -19.480 -23.846 1.00 0.00 C ATOM 202 CG1 VAL A 10 -0.447 -19.694 -25.157 1.00 0.00 C ATOM 203 CG2 VAL A 10 0.072 -20.651 -22.901 1.00 0.00 C ATOM 0 HA VAL A 10 1.924 -18.575 -24.931 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.104 -18.582 -23.374 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.508 -19.839 -24.956 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.315 -18.821 -25.796 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.049 -20.575 -25.660 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.996 -20.783 -22.731 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.484 -21.558 -23.343 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.569 -20.452 -21.952 1.00 0.00 H new ATOM 213 N PRO A 11 2.318 -17.363 -22.685 1.00 0.00 N ATOM 214 CA PRO A 11 2.879 -16.653 -21.532 1.00 0.00 C ATOM 215 C PRO A 11 2.146 -16.982 -20.236 1.00 0.00 C ATOM 216 O PRO A 11 1.295 -17.871 -20.202 1.00 0.00 O ATOM 217 CB PRO A 11 2.689 -15.179 -21.895 1.00 0.00 C ATOM 218 CG PRO A 11 1.537 -15.167 -22.839 1.00 0.00 C ATOM 219 CD PRO A 11 1.621 -16.455 -23.611 1.00 0.00 C ATOM 0 HA PRO A 11 3.917 -16.930 -21.349 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.482 -14.577 -21.010 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.585 -14.767 -22.359 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.592 -15.096 -22.301 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.589 -14.307 -23.507 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.632 -16.831 -23.874 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.173 -16.330 -24.543 1.00 0.00 H new ATOM 227 N ARG A 12 2.481 -16.259 -19.172 1.00 0.00 N ATOM 228 CA ARG A 12 1.854 -16.475 -17.874 1.00 0.00 C ATOM 229 C ARG A 12 0.343 -16.283 -17.961 1.00 0.00 C ATOM 230 O ARG A 12 -0.193 -15.968 -19.023 1.00 0.00 O ATOM 231 CB ARG A 12 2.441 -15.518 -16.835 1.00 0.00 C ATOM 232 CG ARG A 12 3.915 -15.758 -16.549 1.00 0.00 C ATOM 233 CD ARG A 12 4.141 -17.107 -15.885 1.00 0.00 C ATOM 234 NE ARG A 12 4.340 -18.172 -16.864 1.00 0.00 N ATOM 235 CZ ARG A 12 4.770 -19.389 -16.548 1.00 0.00 C ATOM 236 NH1 ARG A 12 5.043 -19.693 -15.287 1.00 0.00 N ATOM 237 NH2 ARG A 12 4.927 -20.305 -17.495 1.00 0.00 N ATOM 0 H ARG A 12 3.183 -15.519 -19.184 1.00 0.00 H new ATOM 0 HA ARG A 12 2.055 -17.502 -17.568 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.309 -14.493 -17.182 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.879 -15.615 -15.906 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.480 -15.710 -17.480 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.295 -14.966 -15.904 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.011 -17.048 -15.231 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.285 -17.349 -15.255 1.00 0.00 H new ATOM 0 HE ARG A 12 4.138 -17.971 -17.843 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.923 -18.992 -14.556 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.373 -20.628 -15.048 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.718 -20.075 -18.466 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.257 -21.239 -17.252 1.00 0.00 H new ATOM 251 N GLY A 13 -0.339 -16.475 -16.836 1.00 0.00 N ATOM 252 CA GLY A 13 -1.782 -16.320 -16.807 1.00 0.00 C ATOM 253 C GLY A 13 -2.206 -14.915 -16.424 1.00 0.00 C ATOM 254 O GLY A 13 -2.927 -14.253 -17.170 1.00 0.00 O ATOM 0 H GLY A 13 0.082 -16.735 -15.944 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.191 -16.565 -17.787 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.207 -17.031 -16.098 1.00 0.00 H new ATOM 258 N SER A 14 -1.759 -14.461 -15.258 1.00 0.00 N ATOM 259 CA SER A 14 -2.101 -13.129 -14.775 1.00 0.00 C ATOM 260 C SER A 14 -1.716 -12.064 -15.798 1.00 0.00 C ATOM 261 O SER A 14 -0.550 -11.685 -15.908 1.00 0.00 O ATOM 262 CB SER A 14 -1.400 -12.850 -13.444 1.00 0.00 C ATOM 263 OG SER A 14 -1.744 -13.823 -12.473 1.00 0.00 O ATOM 0 H SER A 14 -1.159 -14.996 -14.630 1.00 0.00 H new ATOM 0 HA SER A 14 -3.180 -13.091 -14.625 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.320 -12.845 -13.592 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.677 -11.859 -13.084 1.00 0.00 H new ATOM 0 HG SER A 14 -1.282 -13.624 -11.632 1.00 0.00 H new ATOM 269 N HIS A 15 -2.706 -11.586 -16.546 1.00 0.00 N ATOM 270 CA HIS A 15 -2.472 -10.565 -17.561 1.00 0.00 C ATOM 271 C HIS A 15 -3.775 -10.185 -18.259 1.00 0.00 C ATOM 272 O HIS A 15 -4.859 -10.567 -17.820 1.00 0.00 O ATOM 273 CB HIS A 15 -1.454 -11.060 -18.589 1.00 0.00 C ATOM 274 CG HIS A 15 -0.449 -10.023 -18.984 1.00 0.00 C ATOM 275 ND1 HIS A 15 0.043 -9.902 -20.266 1.00 0.00 N ATOM 276 CD2 HIS A 15 0.156 -9.055 -18.257 1.00 0.00 C ATOM 277 CE1 HIS A 15 0.908 -8.904 -20.311 1.00 0.00 C ATOM 278 NE2 HIS A 15 0.995 -8.373 -19.105 1.00 0.00 N ATOM 0 H HIS A 15 -3.677 -11.889 -16.468 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.074 -9.680 -17.065 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.930 -11.925 -18.182 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.984 -11.398 -19.479 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.007 -8.856 -17.206 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.451 -8.578 -21.186 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.588 -7.585 -18.845 1.00 0.00 H new ATOM 286 N MET A 16 -3.659 -9.431 -19.347 1.00 0.00 N ATOM 287 CA MET A 16 -4.827 -9.001 -20.106 1.00 0.00 C ATOM 288 C MET A 16 -5.031 -9.880 -21.336 1.00 0.00 C ATOM 289 O MET A 16 -4.302 -10.849 -21.546 1.00 0.00 O ATOM 290 CB MET A 16 -4.677 -7.538 -20.529 1.00 0.00 C ATOM 291 CG MET A 16 -4.537 -6.579 -19.359 1.00 0.00 C ATOM 292 SD MET A 16 -5.992 -6.564 -18.294 1.00 0.00 S ATOM 293 CE MET A 16 -7.266 -6.109 -19.468 1.00 0.00 C ATOM 0 H MET A 16 -2.768 -9.105 -19.723 1.00 0.00 H new ATOM 0 HA MET A 16 -5.702 -9.098 -19.463 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.803 -7.442 -21.173 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.544 -7.249 -21.123 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.663 -6.857 -18.770 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.359 -5.573 -19.738 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.116 -5.683 -18.935 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.870 -5.373 -20.167 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.588 -6.994 -20.017 1.00 0.00 H new ATOM 303 N SER A 17 -6.027 -9.535 -22.146 1.00 0.00 N ATOM 304 CA SER A 17 -6.329 -10.296 -23.353 1.00 0.00 C ATOM 305 C SER A 17 -5.907 -9.525 -24.600 1.00 0.00 C ATOM 306 O SER A 17 -6.247 -8.354 -24.765 1.00 0.00 O ATOM 307 CB SER A 17 -7.824 -10.616 -23.419 1.00 0.00 C ATOM 308 OG SER A 17 -8.604 -9.464 -23.151 1.00 0.00 O ATOM 0 H SER A 17 -6.638 -8.734 -21.988 1.00 0.00 H new ATOM 0 HA SER A 17 -5.766 -11.229 -23.315 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.072 -11.006 -24.406 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.064 -11.397 -22.698 1.00 0.00 H new ATOM 0 HG SER A 17 -9.555 -9.694 -23.201 1.00 0.00 H new ATOM 314 N VAL A 18 -5.163 -10.192 -25.477 1.00 0.00 N ATOM 315 CA VAL A 18 -4.694 -9.572 -26.710 1.00 0.00 C ATOM 316 C VAL A 18 -5.732 -9.702 -27.819 1.00 0.00 C ATOM 317 O VAL A 18 -5.764 -8.898 -28.751 1.00 0.00 O ATOM 318 CB VAL A 18 -3.369 -10.199 -27.185 1.00 0.00 C ATOM 319 CG1 VAL A 18 -2.598 -9.220 -28.058 1.00 0.00 C ATOM 320 CG2 VAL A 18 -2.532 -10.639 -25.994 1.00 0.00 C ATOM 0 H VAL A 18 -4.872 -11.162 -25.356 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.530 -8.517 -26.492 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.597 -11.080 -27.784 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.665 -9.680 -28.384 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.198 -8.959 -28.930 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.378 -8.318 -27.486 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.600 -11.080 -26.347 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.310 -9.776 -25.366 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.085 -11.377 -25.413 1.00 0.00 H new ATOM 330 N ASP A 19 -6.579 -10.720 -27.713 1.00 0.00 N ATOM 331 CA ASP A 19 -7.620 -10.955 -28.707 1.00 0.00 C ATOM 332 C ASP A 19 -8.699 -9.879 -28.628 1.00 0.00 C ATOM 333 O ASP A 19 -9.572 -9.797 -29.493 1.00 0.00 O ATOM 334 CB ASP A 19 -8.244 -12.337 -28.505 1.00 0.00 C ATOM 335 CG ASP A 19 -9.068 -12.779 -29.699 1.00 0.00 C ATOM 336 OD1 ASP A 19 -8.561 -12.689 -30.837 1.00 0.00 O ATOM 337 OD2 ASP A 19 -10.220 -13.216 -29.495 1.00 0.00 O ATOM 0 H ASP A 19 -6.565 -11.396 -26.949 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.162 -10.913 -29.695 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.455 -13.066 -28.322 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.876 -12.321 -27.617 1.00 0.00 H new ATOM 342 N ASP A 20 -8.634 -9.058 -27.586 1.00 0.00 N ATOM 343 CA ASP A 20 -9.605 -7.987 -27.395 1.00 0.00 C ATOM 344 C ASP A 20 -9.044 -6.653 -27.876 1.00 0.00 C ATOM 345 O ASP A 20 -9.476 -5.590 -27.429 1.00 0.00 O ATOM 346 CB ASP A 20 -10.001 -7.886 -25.921 1.00 0.00 C ATOM 347 CG ASP A 20 -11.044 -8.915 -25.530 1.00 0.00 C ATOM 348 OD1 ASP A 20 -11.247 -9.875 -26.301 1.00 0.00 O ATOM 349 OD2 ASP A 20 -11.657 -8.758 -24.453 1.00 0.00 O ATOM 0 H ASP A 20 -7.919 -9.113 -26.861 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.490 -8.223 -27.986 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.115 -8.017 -25.300 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.387 -6.887 -25.719 1.00 0.00 H new ATOM 354 N ILE A 21 -8.080 -6.716 -28.788 1.00 0.00 N ATOM 355 CA ILE A 21 -7.461 -5.513 -29.330 1.00 0.00 C ATOM 356 C ILE A 21 -8.056 -5.151 -30.687 1.00 0.00 C ATOM 357 O ILE A 21 -8.362 -6.029 -31.495 1.00 0.00 O ATOM 358 CB ILE A 21 -5.938 -5.682 -29.478 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.293 -5.914 -28.111 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.333 -4.460 -30.155 1.00 0.00 C ATOM 361 CD1 ILE A 21 -3.825 -6.273 -28.188 1.00 0.00 C ATOM 0 H ILE A 21 -7.711 -7.588 -29.167 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.662 -4.709 -28.622 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.743 -6.554 -30.103 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.407 -5.014 -27.507 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.828 -6.713 -27.597 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.256 -4.594 -30.253 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.774 -4.336 -31.144 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.535 -3.574 -29.554 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.434 -6.423 -27.182 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.704 -7.190 -28.765 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.278 -5.465 -28.673 1.00 0.00 H new ATOM 373 N ILE A 22 -8.216 -3.855 -30.930 1.00 0.00 N ATOM 374 CA ILE A 22 -8.771 -3.378 -32.190 1.00 0.00 C ATOM 375 C ILE A 22 -7.673 -3.145 -33.222 1.00 0.00 C ATOM 376 O ILE A 22 -6.506 -3.457 -32.982 1.00 0.00 O ATOM 377 CB ILE A 22 -9.564 -2.072 -31.997 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.622 -0.930 -31.611 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.642 -2.258 -30.940 1.00 0.00 C ATOM 380 CD1 ILE A 22 -9.327 0.393 -31.409 1.00 0.00 C ATOM 0 H ILE A 22 -7.969 -3.117 -30.271 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.446 -4.154 -32.551 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.048 -1.815 -32.939 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.098 -1.197 -30.693 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.866 -0.815 -32.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.194 -1.326 -30.815 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.327 -3.046 -31.253 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.179 -2.535 -29.993 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.598 1.156 -31.137 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.829 0.683 -32.332 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.063 0.295 -30.611 1.00 0.00 H new ATOM 392 N ILE A 23 -8.054 -2.592 -34.369 1.00 0.00 N ATOM 393 CA ILE A 23 -7.100 -2.314 -35.436 1.00 0.00 C ATOM 394 C ILE A 23 -6.738 -0.833 -35.478 1.00 0.00 C ATOM 395 O ILE A 23 -7.508 0.018 -35.033 1.00 0.00 O ATOM 396 CB ILE A 23 -7.655 -2.735 -36.810 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.321 -4.109 -36.717 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.542 -2.749 -37.848 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.378 -5.210 -36.285 1.00 0.00 C ATOM 0 H ILE A 23 -9.016 -2.328 -34.583 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.205 -2.898 -35.220 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.406 -2.009 -37.120 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.150 -4.055 -36.012 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.745 -4.365 -37.688 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.949 -3.048 -38.814 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.108 -1.752 -37.930 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.770 -3.456 -37.545 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.919 -6.156 -36.241 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.561 -5.292 -37.002 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.974 -4.977 -35.300 1.00 0.00 H new ATOM 411 N LYS A 24 -5.562 -0.533 -36.017 1.00 0.00 N ATOM 412 CA LYS A 24 -5.097 0.846 -36.121 1.00 0.00 C ATOM 413 C LYS A 24 -4.994 1.490 -34.742 1.00 0.00 C ATOM 414 O LYS A 24 -5.141 2.705 -34.602 1.00 0.00 O ATOM 415 CB LYS A 24 -6.043 1.659 -37.007 1.00 0.00 C ATOM 416 CG LYS A 24 -6.163 1.122 -38.422 1.00 0.00 C ATOM 417 CD LYS A 24 -7.553 1.356 -38.991 1.00 0.00 C ATOM 418 CE LYS A 24 -7.761 2.813 -39.373 1.00 0.00 C ATOM 419 NZ LYS A 24 -8.733 2.961 -40.491 1.00 0.00 N ATOM 0 H LYS A 24 -4.913 -1.226 -36.389 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.105 0.836 -36.573 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.032 1.676 -36.549 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.693 2.690 -37.047 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.422 1.604 -39.059 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.942 0.055 -38.427 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.700 0.725 -39.867 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.302 1.061 -38.257 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.118 3.368 -38.506 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.806 3.252 -39.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.847 3.969 -40.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.381 2.453 -41.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.652 2.565 -40.207 1.00 0.00 H new ATOM 433 N CYS A 25 -4.741 0.671 -33.728 1.00 0.00 N ATOM 434 CA CYS A 25 -4.618 1.162 -32.360 1.00 0.00 C ATOM 435 C CYS A 25 -3.161 1.453 -32.016 1.00 0.00 C ATOM 436 O CYS A 25 -2.251 0.791 -32.516 1.00 0.00 O ATOM 437 CB CYS A 25 -5.193 0.142 -31.376 1.00 0.00 C ATOM 438 SG CYS A 25 -5.976 0.879 -29.923 1.00 0.00 S ATOM 0 H CYS A 25 -4.617 -0.337 -33.827 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.184 2.090 -32.281 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.925 -0.476 -31.896 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.393 -0.521 -31.047 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.433 -0.063 -29.152 1.00 0.00 H new ATOM 444 N GLN A 26 -2.947 2.448 -31.161 1.00 0.00 N ATOM 445 CA GLN A 26 -1.600 2.828 -30.753 1.00 0.00 C ATOM 446 C GLN A 26 -1.177 2.068 -29.500 1.00 0.00 C ATOM 447 O GLN A 26 -1.838 2.143 -28.464 1.00 0.00 O ATOM 448 CB GLN A 26 -1.527 4.335 -30.500 1.00 0.00 C ATOM 449 CG GLN A 26 -0.221 4.782 -29.863 1.00 0.00 C ATOM 450 CD GLN A 26 0.084 6.244 -30.122 1.00 0.00 C ATOM 451 OE1 GLN A 26 0.117 6.690 -31.270 1.00 0.00 O ATOM 452 NE2 GLN A 26 0.309 7.001 -29.054 1.00 0.00 N ATOM 0 H GLN A 26 -3.689 3.005 -30.738 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.916 2.570 -31.561 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.659 4.861 -31.446 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.355 4.627 -29.855 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.268 4.609 -28.788 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.595 4.171 -30.249 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.272 6.591 -28.121 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.519 7.993 -29.167 1.00 0.00 H new ATOM 461 N CYS A 27 -0.071 1.339 -29.602 1.00 0.00 N ATOM 462 CA CYS A 27 0.440 0.564 -28.477 1.00 0.00 C ATOM 463 C CYS A 27 1.895 0.920 -28.188 1.00 0.00 C ATOM 464 O CYS A 27 2.691 1.115 -29.106 1.00 0.00 O ATOM 465 CB CYS A 27 0.316 -0.933 -28.763 1.00 0.00 C ATOM 466 SG CYS A 27 -0.148 -1.924 -27.324 1.00 0.00 S ATOM 0 H CYS A 27 0.489 1.268 -30.452 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.157 0.809 -27.598 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.426 -1.082 -29.548 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.267 -1.298 -29.150 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.636 -3.062 -27.720 1.00 0.00 H new ATOM 472 N TRP A 28 2.233 1.006 -26.907 1.00 0.00 N ATOM 473 CA TRP A 28 3.592 1.341 -26.496 1.00 0.00 C ATOM 474 C TRP A 28 4.444 0.085 -26.356 1.00 0.00 C ATOM 475 O TRP A 28 4.018 -0.902 -25.756 1.00 0.00 O ATOM 476 CB TRP A 28 3.573 2.110 -25.174 1.00 0.00 C ATOM 477 CG TRP A 28 3.431 3.591 -25.350 1.00 0.00 C ATOM 478 CD1 TRP A 28 2.266 4.299 -25.430 1.00 0.00 C ATOM 479 CD2 TRP A 28 4.492 4.546 -25.470 1.00 0.00 C ATOM 480 NE1 TRP A 28 2.538 5.636 -25.592 1.00 0.00 N ATOM 481 CE2 TRP A 28 3.896 5.814 -25.619 1.00 0.00 C ATOM 482 CE3 TRP A 28 5.886 4.453 -25.463 1.00 0.00 C ATOM 483 CZ2 TRP A 28 4.648 6.977 -25.761 1.00 0.00 C ATOM 484 CZ3 TRP A 28 6.631 5.609 -25.605 1.00 0.00 C ATOM 485 CH2 TRP A 28 6.011 6.857 -25.751 1.00 0.00 C ATOM 0 H TRP A 28 1.585 0.849 -26.135 1.00 0.00 H new ATOM 0 HA TRP A 28 4.033 1.972 -27.268 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.750 1.744 -24.561 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.494 1.903 -24.628 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.276 3.871 -25.374 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.842 6.376 -25.678 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.373 3.496 -25.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.172 7.940 -25.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.709 5.549 -25.603 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.621 7.742 -25.858 1.00 0.00 H new ATOM 496 N VAL A 29 5.651 0.127 -26.912 1.00 0.00 N ATOM 497 CA VAL A 29 6.563 -1.008 -26.848 1.00 0.00 C ATOM 498 C VAL A 29 7.609 -0.811 -25.756 1.00 0.00 C ATOM 499 O VAL A 29 8.472 0.059 -25.860 1.00 0.00 O ATOM 500 CB VAL A 29 7.278 -1.231 -28.193 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.218 -2.424 -28.108 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.263 -1.420 -29.311 1.00 0.00 C ATOM 0 H VAL A 29 6.020 0.936 -27.412 1.00 0.00 H new ATOM 0 HA VAL A 29 5.960 -1.886 -26.616 1.00 0.00 H new ATOM 0 HB VAL A 29 7.873 -0.346 -28.419 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.714 -2.566 -29.068 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.966 -2.243 -27.336 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.648 -3.319 -27.859 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.786 -1.576 -30.255 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.640 -2.287 -29.094 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.636 -0.532 -29.387 1.00 0.00 H new ATOM 512 N GLN A 30 7.524 -1.626 -24.709 1.00 0.00 N ATOM 513 CA GLN A 30 8.463 -1.541 -23.597 1.00 0.00 C ATOM 514 C GLN A 30 9.773 -2.244 -23.936 1.00 0.00 C ATOM 515 O GLN A 30 9.873 -3.469 -23.854 1.00 0.00 O ATOM 516 CB GLN A 30 7.852 -2.156 -22.337 1.00 0.00 C ATOM 517 CG GLN A 30 7.053 -1.167 -21.504 1.00 0.00 C ATOM 518 CD GLN A 30 6.279 -1.837 -20.385 1.00 0.00 C ATOM 519 OE1 GLN A 30 6.521 -3.000 -20.058 1.00 0.00 O ATOM 520 NE2 GLN A 30 5.342 -1.107 -19.793 1.00 0.00 N ATOM 0 H GLN A 30 6.815 -2.352 -24.608 1.00 0.00 H new ATOM 0 HA GLN A 30 8.674 -0.488 -23.413 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.204 -2.984 -22.624 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.650 -2.574 -21.723 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.730 -0.426 -21.079 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.358 -0.631 -22.151 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.175 -0.148 -20.096 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.788 -1.505 -19.035 1.00 0.00 H new ATOM 529 N LYS A 31 10.777 -1.462 -24.318 1.00 0.00 N ATOM 530 CA LYS A 31 12.083 -2.009 -24.669 1.00 0.00 C ATOM 531 C LYS A 31 12.880 -2.361 -23.417 1.00 0.00 C ATOM 532 O LYS A 31 12.539 -1.938 -22.313 1.00 0.00 O ATOM 533 CB LYS A 31 12.866 -1.006 -25.519 1.00 0.00 C ATOM 534 CG LYS A 31 13.647 -1.650 -26.652 1.00 0.00 C ATOM 535 CD LYS A 31 12.724 -2.311 -27.661 1.00 0.00 C ATOM 536 CE LYS A 31 13.396 -2.460 -29.018 1.00 0.00 C ATOM 537 NZ LYS A 31 12.779 -3.548 -29.826 1.00 0.00 N ATOM 0 H LYS A 31 10.712 -0.447 -24.393 1.00 0.00 H new ATOM 0 HA LYS A 31 11.925 -2.920 -25.246 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.172 -0.276 -25.936 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.557 -0.459 -24.877 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.253 -0.895 -27.152 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.334 -2.392 -26.245 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.424 -3.292 -27.293 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.815 -1.719 -27.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.326 -1.519 -29.563 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.456 -2.669 -28.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.265 -3.618 -30.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.868 -4.451 -29.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.773 -3.336 -29.982 1.00 0.00 H new ATOM 551 N ASN A 32 13.943 -3.138 -23.597 1.00 0.00 N ATOM 552 CA ASN A 32 14.789 -3.546 -22.481 1.00 0.00 C ATOM 553 C ASN A 32 15.217 -2.338 -21.653 1.00 0.00 C ATOM 554 O ASN A 32 14.864 -2.221 -20.479 1.00 0.00 O ATOM 555 CB ASN A 32 16.023 -4.290 -22.995 1.00 0.00 C ATOM 556 CG ASN A 32 15.671 -5.611 -23.651 1.00 0.00 C ATOM 557 OD1 ASN A 32 15.018 -6.462 -23.046 1.00 0.00 O ATOM 558 ND2 ASN A 32 16.103 -5.788 -24.894 1.00 0.00 N ATOM 0 H ASN A 32 14.239 -3.498 -24.504 1.00 0.00 H new ATOM 0 HA ASN A 32 14.210 -4.214 -21.843 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.551 -3.661 -23.712 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.707 -4.470 -22.165 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.897 -6.657 -25.387 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.641 -5.055 -25.356 1.00 0.00 H new ATOM 565 N ASP A 33 15.980 -1.444 -22.272 1.00 0.00 N ATOM 566 CA ASP A 33 16.455 -0.244 -21.593 1.00 0.00 C ATOM 567 C ASP A 33 15.989 1.013 -22.321 1.00 0.00 C ATOM 568 O ASP A 33 16.535 2.097 -22.119 1.00 0.00 O ATOM 569 CB ASP A 33 17.982 -0.256 -21.498 1.00 0.00 C ATOM 570 CG ASP A 33 18.505 0.706 -20.450 1.00 0.00 C ATOM 571 OD1 ASP A 33 18.018 0.654 -19.302 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.400 1.512 -20.779 1.00 0.00 O ATOM 0 H ASP A 33 16.283 -1.527 -23.242 1.00 0.00 H new ATOM 0 HA ASP A 33 16.036 -0.236 -20.587 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.320 -1.265 -21.262 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.405 0.003 -22.468 1.00 0.00 H new ATOM 577 N GLU A 34 14.976 0.859 -23.169 1.00 0.00 N ATOM 578 CA GLU A 34 14.438 1.981 -23.928 1.00 0.00 C ATOM 579 C GLU A 34 12.916 1.906 -24.007 1.00 0.00 C ATOM 580 O GLU A 34 12.301 0.992 -23.457 1.00 0.00 O ATOM 581 CB GLU A 34 15.032 2.004 -25.338 1.00 0.00 C ATOM 582 CG GLU A 34 16.451 2.547 -25.392 1.00 0.00 C ATOM 583 CD GLU A 34 16.500 4.060 -25.304 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.291 4.721 -26.343 1.00 0.00 O ATOM 585 OE2 GLU A 34 16.747 4.583 -24.197 1.00 0.00 O ATOM 0 H GLU A 34 14.512 -0.032 -23.347 1.00 0.00 H new ATOM 0 HA GLU A 34 14.713 2.900 -23.411 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.023 0.992 -25.743 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.395 2.611 -25.982 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.031 2.120 -24.574 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.924 2.225 -26.320 1.00 0.00 H new ATOM 592 N GLU A 35 12.316 2.872 -24.694 1.00 0.00 N ATOM 593 CA GLU A 35 10.866 2.916 -24.843 1.00 0.00 C ATOM 594 C GLU A 35 10.477 3.342 -26.256 1.00 0.00 C ATOM 595 O GLU A 35 10.803 4.446 -26.694 1.00 0.00 O ATOM 596 CB GLU A 35 10.255 3.877 -23.822 1.00 0.00 C ATOM 597 CG GLU A 35 9.755 3.189 -22.562 1.00 0.00 C ATOM 598 CD GLU A 35 8.538 2.320 -22.816 1.00 0.00 C ATOM 599 OE1 GLU A 35 8.220 2.074 -23.998 1.00 0.00 O ATOM 600 OE2 GLU A 35 7.905 1.886 -21.831 1.00 0.00 O ATOM 0 H GLU A 35 12.811 3.635 -25.156 1.00 0.00 H new ATOM 0 HA GLU A 35 10.477 1.913 -24.665 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.000 4.624 -23.547 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.426 4.410 -24.288 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.554 2.576 -22.146 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.509 3.943 -21.814 1.00 0.00 H new ATOM 607 N ARG A 36 9.779 2.460 -26.963 1.00 0.00 N ATOM 608 CA ARG A 36 9.347 2.743 -28.326 1.00 0.00 C ATOM 609 C ARG A 36 7.825 2.720 -28.430 1.00 0.00 C ATOM 610 O ARG A 36 7.132 2.373 -27.473 1.00 0.00 O ATOM 611 CB ARG A 36 9.951 1.727 -29.297 1.00 0.00 C ATOM 612 CG ARG A 36 11.460 1.592 -29.176 1.00 0.00 C ATOM 613 CD ARG A 36 12.174 2.839 -29.674 1.00 0.00 C ATOM 614 NE ARG A 36 13.549 2.560 -30.076 1.00 0.00 N ATOM 615 CZ ARG A 36 14.261 3.358 -30.864 1.00 0.00 C ATOM 616 NH1 ARG A 36 13.730 4.479 -31.331 1.00 0.00 N ATOM 617 NH2 ARG A 36 15.508 3.035 -31.185 1.00 0.00 N ATOM 0 H ARG A 36 9.500 1.543 -26.614 1.00 0.00 H new ATOM 0 HA ARG A 36 9.697 3.741 -28.591 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.492 0.754 -29.123 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.701 2.019 -30.317 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.728 1.410 -28.135 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.796 0.727 -29.748 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.627 3.256 -30.519 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.172 3.595 -28.889 1.00 0.00 H new ATOM 0 HE ARG A 36 13.987 1.705 -29.733 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.773 4.731 -31.085 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.279 5.090 -31.936 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.920 2.174 -30.827 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.054 3.648 -31.790 1.00 0.00 H new ATOM 631 N LEU A 37 7.311 3.090 -29.598 1.00 0.00 N ATOM 632 CA LEU A 37 5.871 3.112 -29.828 1.00 0.00 C ATOM 633 C LEU A 37 5.535 2.601 -31.225 1.00 0.00 C ATOM 634 O LEU A 37 6.140 3.017 -32.212 1.00 0.00 O ATOM 635 CB LEU A 37 5.327 4.530 -29.647 1.00 0.00 C ATOM 636 CG LEU A 37 3.813 4.652 -29.473 1.00 0.00 C ATOM 637 CD1 LEU A 37 3.453 5.986 -28.839 1.00 0.00 C ATOM 638 CD2 LEU A 37 3.108 4.488 -30.812 1.00 0.00 C ATOM 0 H LEU A 37 7.870 3.379 -30.401 1.00 0.00 H new ATOM 0 HA LEU A 37 5.401 2.453 -29.097 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.809 4.974 -28.776 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.622 5.124 -30.512 1.00 0.00 H new ATOM 0 HG LEU A 37 3.478 3.856 -28.808 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.371 6.054 -28.723 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.928 6.064 -27.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.801 6.798 -29.477 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.031 4.578 -30.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.449 5.262 -31.500 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.339 3.507 -31.227 1.00 0.00 H new ATOM 650 N ALA A 38 4.563 1.697 -31.300 1.00 0.00 N ATOM 651 CA ALA A 38 4.143 1.132 -32.577 1.00 0.00 C ATOM 652 C ALA A 38 2.627 0.981 -32.638 1.00 0.00 C ATOM 653 O ALA A 38 1.961 0.896 -31.607 1.00 0.00 O ATOM 654 CB ALA A 38 4.819 -0.212 -32.807 1.00 0.00 C ATOM 0 H ALA A 38 4.052 1.341 -30.492 1.00 0.00 H new ATOM 0 HA ALA A 38 4.446 1.819 -33.368 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.496 -0.622 -33.764 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.901 -0.078 -32.816 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.545 -0.899 -32.007 1.00 0.00 H new ATOM 660 N GLU A 39 2.089 0.949 -33.853 1.00 0.00 N ATOM 661 CA GLU A 39 0.650 0.810 -34.047 1.00 0.00 C ATOM 662 C GLU A 39 0.302 -0.584 -34.560 1.00 0.00 C ATOM 663 O GLU A 39 1.171 -1.317 -35.033 1.00 0.00 O ATOM 664 CB GLU A 39 0.141 1.868 -35.028 1.00 0.00 C ATOM 665 CG GLU A 39 -1.196 2.473 -34.632 1.00 0.00 C ATOM 666 CD GLU A 39 -1.577 3.660 -35.495 1.00 0.00 C ATOM 667 OE1 GLU A 39 -0.962 3.838 -36.567 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.493 4.411 -35.097 1.00 0.00 O ATOM 0 H GLU A 39 2.627 1.017 -34.717 1.00 0.00 H new ATOM 0 HA GLU A 39 0.164 0.955 -33.082 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.881 2.664 -35.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.049 1.420 -36.017 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.972 1.711 -34.706 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.155 2.785 -33.589 1.00 0.00 H new ATOM 675 N ILE A 40 -0.973 -0.943 -34.462 1.00 0.00 N ATOM 676 CA ILE A 40 -1.436 -2.248 -34.916 1.00 0.00 C ATOM 677 C ILE A 40 -2.085 -2.153 -36.293 1.00 0.00 C ATOM 678 O ILE A 40 -2.985 -1.341 -36.513 1.00 0.00 O ATOM 679 CB ILE A 40 -2.444 -2.864 -33.927 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.907 -2.775 -32.497 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.737 -4.309 -34.300 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.646 -3.579 -32.274 1.00 0.00 C ATOM 0 H ILE A 40 -1.704 -0.348 -34.072 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.558 -2.891 -34.974 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.375 -2.300 -33.981 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.710 -1.730 -32.256 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.676 -3.122 -31.807 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.451 -4.730 -33.592 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.157 -4.347 -35.305 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.813 -4.887 -34.271 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.323 -3.469 -31.239 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.843 -4.630 -32.483 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.138 -3.218 -32.939 1.00 0.00 H new ATOM 694 N LEU A 41 -1.624 -2.989 -37.217 1.00 0.00 N ATOM 695 CA LEU A 41 -2.161 -3.001 -38.573 1.00 0.00 C ATOM 696 C LEU A 41 -3.013 -4.244 -38.811 1.00 0.00 C ATOM 697 O LEU A 41 -4.237 -4.159 -38.914 1.00 0.00 O ATOM 698 CB LEU A 41 -1.023 -2.948 -39.594 1.00 0.00 C ATOM 699 CG LEU A 41 -0.297 -1.608 -39.720 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.790 -1.687 -40.781 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.283 -0.496 -40.046 1.00 0.00 C ATOM 0 H LEU A 41 -0.880 -3.667 -37.052 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.792 -2.121 -38.694 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.291 -3.712 -39.332 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.426 -3.214 -40.571 1.00 0.00 H new ATOM 0 HG LEU A 41 0.174 -1.380 -38.764 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.296 -0.724 -40.856 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.512 -2.456 -40.505 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.342 -1.938 -41.743 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.749 0.450 -40.132 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.783 -0.718 -40.989 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.025 -0.423 -39.251 1.00 0.00 H new ATOM 713 N SER A 42 -2.359 -5.397 -38.894 1.00 0.00 N ATOM 714 CA SER A 42 -3.056 -6.658 -39.120 1.00 0.00 C ATOM 715 C SER A 42 -2.845 -7.613 -37.949 1.00 0.00 C ATOM 716 O SER A 42 -2.054 -7.340 -37.046 1.00 0.00 O ATOM 717 CB SER A 42 -2.572 -7.307 -40.417 1.00 0.00 C ATOM 718 OG SER A 42 -3.261 -6.782 -41.539 1.00 0.00 O ATOM 0 H SER A 42 -1.346 -5.485 -38.808 1.00 0.00 H new ATOM 0 HA SER A 42 -4.122 -6.446 -39.205 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.501 -7.140 -40.533 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.723 -8.385 -40.366 1.00 0.00 H new ATOM 0 HG SER A 42 -2.932 -7.212 -42.356 1.00 0.00 H new ATOM 724 N ILE A 43 -3.557 -8.735 -37.973 1.00 0.00 N ATOM 725 CA ILE A 43 -3.447 -9.732 -36.916 1.00 0.00 C ATOM 726 C ILE A 43 -3.477 -11.145 -37.488 1.00 0.00 C ATOM 727 O ILE A 43 -4.237 -11.436 -38.410 1.00 0.00 O ATOM 728 CB ILE A 43 -4.580 -9.584 -35.883 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.727 -8.120 -35.461 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.310 -10.465 -34.672 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.865 -7.882 -34.493 1.00 0.00 C ATOM 0 H ILE A 43 -4.216 -8.976 -38.713 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.491 -9.563 -36.421 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.515 -9.906 -36.342 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.796 -7.787 -35.003 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.882 -7.508 -36.349 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.119 -10.350 -33.951 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.250 -11.507 -34.986 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.368 -10.170 -34.210 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.910 -6.823 -34.237 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.805 -8.184 -34.955 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.701 -8.467 -33.588 1.00 0.00 H new ATOM 743 N ASN A 44 -2.646 -12.020 -36.931 1.00 0.00 N ATOM 744 CA ASN A 44 -2.578 -13.405 -37.385 1.00 0.00 C ATOM 745 C ASN A 44 -3.018 -14.361 -36.280 1.00 0.00 C ATOM 746 O ASN A 44 -2.526 -14.295 -35.153 1.00 0.00 O ATOM 747 CB ASN A 44 -1.156 -13.747 -37.835 1.00 0.00 C ATOM 748 CG ASN A 44 -1.074 -14.033 -39.322 1.00 0.00 C ATOM 749 OD1 ASN A 44 -1.700 -13.350 -40.133 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.299 -15.048 -39.687 1.00 0.00 N ATOM 0 H ASN A 44 -2.011 -11.795 -36.165 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.256 -13.518 -38.231 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.491 -12.919 -37.590 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.801 -14.616 -37.280 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.204 -15.288 -40.674 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.202 -15.587 -38.981 1.00 0.00 H new ATOM 757 N THR A 45 -3.947 -15.252 -36.612 1.00 0.00 N ATOM 758 CA THR A 45 -4.454 -16.222 -35.649 1.00 0.00 C ATOM 759 C THR A 45 -4.081 -17.644 -36.053 1.00 0.00 C ATOM 760 O THR A 45 -4.902 -18.558 -35.974 1.00 0.00 O ATOM 761 CB THR A 45 -5.985 -16.126 -35.508 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.592 -16.033 -36.801 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.375 -14.918 -34.670 1.00 0.00 C ATOM 0 H THR A 45 -4.364 -15.322 -37.540 1.00 0.00 H new ATOM 0 HA THR A 45 -3.992 -15.986 -34.690 1.00 0.00 H new ATOM 0 HB THR A 45 -6.339 -17.027 -35.006 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.565 -15.974 -36.702 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.461 -14.870 -34.584 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.936 -15.007 -33.676 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.009 -14.010 -35.148 1.00 0.00 H new ATOM 771 N ARG A 46 -2.837 -17.825 -36.486 1.00 0.00 N ATOM 772 CA ARG A 46 -2.356 -19.136 -36.903 1.00 0.00 C ATOM 773 C ARG A 46 -1.532 -19.790 -35.797 1.00 0.00 C ATOM 774 O ARG A 46 -0.952 -20.858 -35.989 1.00 0.00 O ATOM 775 CB ARG A 46 -1.515 -19.014 -38.175 1.00 0.00 C ATOM 776 CG ARG A 46 -1.402 -20.312 -38.957 1.00 0.00 C ATOM 777 CD ARG A 46 -0.082 -20.396 -39.708 1.00 0.00 C ATOM 778 NE ARG A 46 -0.212 -21.135 -40.961 1.00 0.00 N ATOM 779 CZ ARG A 46 0.753 -21.214 -41.871 1.00 0.00 C ATOM 780 NH1 ARG A 46 1.912 -20.604 -41.667 1.00 0.00 N ATOM 781 NH2 ARG A 46 0.559 -21.906 -42.986 1.00 0.00 N ATOM 0 H ARG A 46 -2.144 -17.080 -36.557 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.223 -19.765 -37.107 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.952 -18.250 -38.817 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.515 -18.672 -37.908 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.488 -21.158 -38.275 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.229 -20.386 -39.663 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.281 -19.390 -39.917 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.664 -20.880 -39.077 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.091 -21.617 -41.148 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.065 -20.072 -40.810 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.651 -20.666 -42.367 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.331 -22.378 -43.145 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.300 -21.966 -43.684 1.00 0.00 H new ATOM 795 N LYS A 47 -1.485 -19.140 -34.639 1.00 0.00 N ATOM 796 CA LYS A 47 -0.734 -19.657 -33.501 1.00 0.00 C ATOM 797 C LYS A 47 -1.363 -19.210 -32.185 1.00 0.00 C ATOM 798 O LYS A 47 -2.344 -18.467 -32.176 1.00 0.00 O ATOM 799 CB LYS A 47 0.721 -19.186 -33.568 1.00 0.00 C ATOM 800 CG LYS A 47 1.632 -20.134 -34.329 1.00 0.00 C ATOM 801 CD LYS A 47 1.859 -21.425 -33.561 1.00 0.00 C ATOM 802 CE LYS A 47 2.376 -22.531 -34.469 1.00 0.00 C ATOM 803 NZ LYS A 47 2.355 -23.858 -33.795 1.00 0.00 N ATOM 0 H LYS A 47 -1.958 -18.254 -34.464 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.760 -20.746 -33.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.755 -18.205 -34.041 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.102 -19.065 -32.554 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.193 -20.360 -35.301 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.589 -19.648 -34.517 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.573 -21.250 -32.756 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.926 -21.742 -33.096 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.768 -22.573 -35.372 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.394 -22.298 -34.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.715 -24.584 -34.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.956 -23.826 -32.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.380 -24.092 -33.520 1.00 0.00 H new ATOM 817 N ALA A 48 -0.792 -19.668 -31.076 1.00 0.00 N ATOM 818 CA ALA A 48 -1.295 -19.312 -29.755 1.00 0.00 C ATOM 819 C ALA A 48 -0.149 -19.057 -28.781 1.00 0.00 C ATOM 820 O ALA A 48 0.639 -19.949 -28.466 1.00 0.00 O ATOM 821 CB ALA A 48 -2.206 -20.409 -29.225 1.00 0.00 C ATOM 0 H ALA A 48 0.019 -20.286 -31.066 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.869 -18.390 -29.848 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.575 -20.130 -28.238 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.049 -20.541 -29.903 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.648 -21.343 -29.154 1.00 0.00 H new ATOM 827 N PRO A 49 -0.053 -17.812 -28.293 1.00 0.00 N ATOM 828 CA PRO A 49 -0.985 -16.742 -28.662 1.00 0.00 C ATOM 829 C PRO A 49 -0.810 -16.294 -30.109 1.00 0.00 C ATOM 830 O PRO A 49 0.166 -16.637 -30.777 1.00 0.00 O ATOM 831 CB PRO A 49 -0.620 -15.607 -27.703 1.00 0.00 C ATOM 832 CG PRO A 49 0.804 -15.857 -27.344 1.00 0.00 C ATOM 833 CD PRO A 49 0.975 -17.351 -27.344 1.00 0.00 C ATOM 0 HA PRO A 49 -2.024 -17.063 -28.588 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.744 -14.633 -28.177 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.258 -15.615 -26.819 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.476 -15.387 -28.062 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.039 -15.437 -26.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.976 -17.641 -27.664 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.823 -17.773 -26.351 1.00 0.00 H new ATOM 841 N PRO A 50 -1.777 -15.509 -30.607 1.00 0.00 N ATOM 842 CA PRO A 50 -1.751 -14.997 -31.980 1.00 0.00 C ATOM 843 C PRO A 50 -0.661 -13.952 -32.189 1.00 0.00 C ATOM 844 O PRO A 50 0.056 -13.592 -31.254 1.00 0.00 O ATOM 845 CB PRO A 50 -3.136 -14.365 -32.149 1.00 0.00 C ATOM 846 CG PRO A 50 -3.562 -14.011 -30.766 1.00 0.00 C ATOM 847 CD PRO A 50 -2.970 -15.062 -29.868 1.00 0.00 C ATOM 0 HA PRO A 50 -1.534 -15.783 -32.703 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.093 -13.483 -32.788 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.835 -15.061 -32.613 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.207 -13.018 -30.491 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.649 -13.995 -30.685 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.709 -14.655 -28.891 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.667 -15.882 -29.696 1.00 0.00 H new ATOM 855 N LYS A 51 -0.540 -13.466 -33.420 1.00 0.00 N ATOM 856 CA LYS A 51 0.462 -12.461 -33.751 1.00 0.00 C ATOM 857 C LYS A 51 -0.198 -11.165 -34.211 1.00 0.00 C ATOM 858 O LYS A 51 -1.347 -11.165 -34.654 1.00 0.00 O ATOM 859 CB LYS A 51 1.398 -12.984 -34.843 1.00 0.00 C ATOM 860 CG LYS A 51 2.725 -13.499 -34.312 1.00 0.00 C ATOM 861 CD LYS A 51 2.923 -14.970 -34.637 1.00 0.00 C ATOM 862 CE LYS A 51 1.895 -15.840 -33.929 1.00 0.00 C ATOM 863 NZ LYS A 51 2.528 -16.747 -32.932 1.00 0.00 N ATOM 0 H LYS A 51 -1.124 -13.753 -34.205 1.00 0.00 H new ATOM 0 HA LYS A 51 1.042 -12.254 -32.852 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.897 -13.786 -35.385 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.588 -12.185 -35.560 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.540 -12.918 -34.742 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.766 -13.355 -33.232 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.848 -15.119 -35.714 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.926 -15.277 -34.342 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.164 -15.204 -33.429 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.352 -16.432 -34.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.833 -16.998 -32.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.857 -17.611 -33.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.337 -16.266 -32.490 1.00 0.00 H new ATOM 877 N PHE A 52 0.535 -10.062 -34.105 1.00 0.00 N ATOM 878 CA PHE A 52 0.021 -8.759 -34.510 1.00 0.00 C ATOM 879 C PHE A 52 1.071 -7.980 -35.296 1.00 0.00 C ATOM 880 O PHE A 52 2.256 -8.004 -34.962 1.00 0.00 O ATOM 881 CB PHE A 52 -0.416 -7.955 -33.284 1.00 0.00 C ATOM 882 CG PHE A 52 -1.557 -8.579 -32.533 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.358 -9.710 -31.757 1.00 0.00 C ATOM 884 CD2 PHE A 52 -2.830 -8.036 -32.604 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.407 -10.286 -31.065 1.00 0.00 C ATOM 886 CE2 PHE A 52 -3.882 -8.607 -31.914 1.00 0.00 C ATOM 887 CZ PHE A 52 -3.670 -9.735 -31.144 1.00 0.00 C ATOM 0 H PHE A 52 1.488 -10.044 -33.742 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.843 -8.922 -35.155 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.434 -7.844 -32.611 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.705 -6.953 -33.601 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.372 -10.146 -31.692 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.002 -7.156 -33.206 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.238 -11.167 -30.463 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.869 -8.172 -31.976 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.491 -10.184 -30.605 1.00 0.00 H new ATOM 897 N TYR A 53 0.628 -7.290 -36.341 1.00 0.00 N ATOM 898 CA TYR A 53 1.529 -6.506 -37.177 1.00 0.00 C ATOM 899 C TYR A 53 1.771 -5.127 -36.572 1.00 0.00 C ATOM 900 O TYR A 53 0.829 -4.393 -36.273 1.00 0.00 O ATOM 901 CB TYR A 53 0.955 -6.363 -38.588 1.00 0.00 C ATOM 902 CG TYR A 53 1.922 -6.766 -39.679 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.065 -6.018 -39.932 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.692 -7.894 -40.455 1.00 0.00 C ATOM 905 CE1 TYR A 53 3.950 -6.382 -40.928 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.573 -8.267 -41.453 1.00 0.00 C ATOM 907 CZ TYR A 53 3.700 -7.507 -41.685 1.00 0.00 C ATOM 908 OH TYR A 53 4.580 -7.873 -42.677 1.00 0.00 O ATOM 0 H TYR A 53 -0.350 -7.258 -36.629 1.00 0.00 H new ATOM 0 HA TYR A 53 2.482 -7.031 -37.232 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.055 -6.973 -38.669 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.654 -5.327 -38.745 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.265 -5.137 -39.340 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.810 -8.490 -40.276 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.833 -5.789 -41.113 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.380 -9.148 -42.047 1.00 0.00 H new ATOM 0 HH TYR A 53 4.258 -8.689 -43.115 1.00 0.00 H new ATOM 918 N VAL A 54 3.042 -4.780 -36.395 1.00 0.00 N ATOM 919 CA VAL A 54 3.411 -3.488 -35.828 1.00 0.00 C ATOM 920 C VAL A 54 3.746 -2.483 -36.923 1.00 0.00 C ATOM 921 O VAL A 54 4.307 -2.841 -37.959 1.00 0.00 O ATOM 922 CB VAL A 54 4.616 -3.616 -34.877 1.00 0.00 C ATOM 923 CG1 VAL A 54 4.218 -4.354 -33.608 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.771 -4.319 -35.573 1.00 0.00 C ATOM 0 H VAL A 54 3.834 -5.376 -36.636 1.00 0.00 H new ATOM 0 HA VAL A 54 2.549 -3.132 -35.264 1.00 0.00 H new ATOM 0 HB VAL A 54 4.945 -2.615 -34.598 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.082 -4.435 -32.948 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.425 -3.805 -33.101 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.862 -5.352 -33.864 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.614 -4.401 -34.887 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.457 -5.316 -35.882 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.071 -3.745 -36.450 1.00 0.00 H new ATOM 934 N HIS A 55 3.398 -1.221 -36.688 1.00 0.00 N ATOM 935 CA HIS A 55 3.664 -0.162 -37.654 1.00 0.00 C ATOM 936 C HIS A 55 4.469 0.967 -37.017 1.00 0.00 C ATOM 937 O HIS A 55 4.120 1.462 -35.945 1.00 0.00 O ATOM 938 CB HIS A 55 2.351 0.386 -38.215 1.00 0.00 C ATOM 939 CG HIS A 55 2.522 1.628 -39.034 1.00 0.00 C ATOM 940 ND1 HIS A 55 1.596 2.650 -39.055 1.00 0.00 N ATOM 941 CD2 HIS A 55 3.521 2.012 -39.863 1.00 0.00 C ATOM 942 CE1 HIS A 55 2.016 3.606 -39.863 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.183 3.244 -40.366 1.00 0.00 N ATOM 0 H HIS A 55 2.931 -0.908 -35.837 1.00 0.00 H new ATOM 0 HA HIS A 55 4.250 -0.587 -38.469 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.879 -0.382 -38.828 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.672 0.596 -37.389 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.417 1.453 -40.087 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.494 4.527 -40.077 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.742 3.791 -41.021 1.00 0.00 H new ATOM 951 N TYR A 56 5.547 1.367 -37.682 1.00 0.00 N ATOM 952 CA TYR A 56 6.403 2.434 -37.178 1.00 0.00 C ATOM 953 C TYR A 56 6.095 3.755 -37.877 1.00 0.00 C ATOM 954 O TYR A 56 5.947 3.805 -39.098 1.00 0.00 O ATOM 955 CB TYR A 56 7.876 2.071 -37.375 1.00 0.00 C ATOM 956 CG TYR A 56 8.717 2.258 -36.133 1.00 0.00 C ATOM 957 CD1 TYR A 56 8.365 1.652 -34.934 1.00 0.00 C ATOM 958 CD2 TYR A 56 9.863 3.043 -36.158 1.00 0.00 C ATOM 959 CE1 TYR A 56 9.130 1.821 -33.796 1.00 0.00 C ATOM 960 CE2 TYR A 56 10.635 3.216 -35.026 1.00 0.00 C ATOM 961 CZ TYR A 56 10.264 2.603 -33.847 1.00 0.00 C ATOM 962 OH TYR A 56 11.030 2.775 -32.717 1.00 0.00 O ATOM 0 H TYR A 56 5.849 0.968 -38.571 1.00 0.00 H new ATOM 0 HA TYR A 56 6.204 2.552 -36.113 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.945 1.032 -37.698 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.288 2.682 -38.178 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.478 1.038 -34.890 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.155 3.526 -37.079 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.841 1.343 -32.872 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.524 3.828 -35.063 1.00 0.00 H new ATOM 0 HH TYR A 56 11.794 3.353 -32.924 1.00 0.00 H new ATOM 972 N VAL A 57 6.002 4.824 -37.093 1.00 0.00 N ATOM 973 CA VAL A 57 5.714 6.147 -37.635 1.00 0.00 C ATOM 974 C VAL A 57 6.730 6.536 -38.703 1.00 0.00 C ATOM 975 O VAL A 57 6.440 7.342 -39.586 1.00 0.00 O ATOM 976 CB VAL A 57 5.711 7.218 -36.529 1.00 0.00 C ATOM 977 CG1 VAL A 57 4.510 7.039 -35.614 1.00 0.00 C ATOM 978 CG2 VAL A 57 7.008 7.167 -35.736 1.00 0.00 C ATOM 0 H VAL A 57 6.122 4.800 -36.080 1.00 0.00 H new ATOM 0 HA VAL A 57 4.722 6.097 -38.083 1.00 0.00 H new ATOM 0 HB VAL A 57 5.636 8.199 -36.998 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.526 7.805 -34.839 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.593 7.130 -36.196 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.549 6.053 -35.150 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.989 7.931 -34.958 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.115 6.184 -35.277 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.850 7.350 -36.404 1.00 0.00 H new ATOM 988 N ASN A 58 7.923 5.957 -38.615 1.00 0.00 N ATOM 989 CA ASN A 58 8.984 6.244 -39.575 1.00 0.00 C ATOM 990 C ASN A 58 8.560 5.854 -40.987 1.00 0.00 C ATOM 991 O ASN A 58 7.392 5.551 -41.235 1.00 0.00 O ATOM 992 CB ASN A 58 10.263 5.498 -39.190 1.00 0.00 C ATOM 993 CG ASN A 58 11.510 6.325 -39.434 1.00 0.00 C ATOM 994 OD1 ASN A 58 11.609 7.468 -38.986 1.00 0.00 O ATOM 995 ND2 ASN A 58 12.471 5.750 -40.148 1.00 0.00 N ATOM 0 H ASN A 58 8.180 5.287 -37.890 1.00 0.00 H new ATOM 0 HA ASN A 58 9.177 7.317 -39.556 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.215 5.220 -38.137 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.327 4.572 -39.762 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.334 6.258 -40.345 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.347 4.801 -40.500 1.00 0.00 H new ATOM 1002 N TYR A 59 9.516 5.864 -41.910 1.00 0.00 N ATOM 1003 CA TYR A 59 9.241 5.513 -43.298 1.00 0.00 C ATOM 1004 C TYR A 59 8.522 4.170 -43.389 1.00 0.00 C ATOM 1005 O TYR A 59 7.747 3.930 -44.314 1.00 0.00 O ATOM 1006 CB TYR A 59 10.543 5.462 -44.100 1.00 0.00 C ATOM 1007 CG TYR A 59 11.110 6.826 -44.421 1.00 0.00 C ATOM 1008 CD1 TYR A 59 10.323 7.803 -45.019 1.00 0.00 C ATOM 1009 CD2 TYR A 59 12.432 7.138 -44.128 1.00 0.00 C ATOM 1010 CE1 TYR A 59 10.837 9.051 -45.316 1.00 0.00 C ATOM 1011 CE2 TYR A 59 12.953 8.384 -44.419 1.00 0.00 C ATOM 1012 CZ TYR A 59 12.152 9.337 -45.013 1.00 0.00 C ATOM 1013 OH TYR A 59 12.668 10.578 -45.306 1.00 0.00 O ATOM 0 H TYR A 59 10.488 6.111 -41.722 1.00 0.00 H new ATOM 0 HA TYR A 59 8.592 6.281 -43.719 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.284 4.893 -43.538 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.366 4.923 -45.031 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.292 7.583 -45.256 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.063 6.394 -43.665 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.213 9.798 -45.783 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.982 8.611 -44.183 1.00 0.00 H new ATOM 0 HH TYR A 59 13.607 10.616 -45.028 1.00 0.00 H new ATOM 1023 N ASN A 60 8.786 3.299 -42.421 1.00 0.00 N ATOM 1024 CA ASN A 60 8.164 1.980 -42.390 1.00 0.00 C ATOM 1025 C ASN A 60 8.586 1.152 -43.600 1.00 0.00 C ATOM 1026 O ASN A 60 7.847 0.279 -44.057 1.00 0.00 O ATOM 1027 CB ASN A 60 6.640 2.112 -42.354 1.00 0.00 C ATOM 1028 CG ASN A 60 5.957 0.819 -41.951 1.00 0.00 C ATOM 1029 OD1 ASN A 60 5.041 0.352 -42.627 1.00 0.00 O ATOM 1030 ND2 ASN A 60 6.402 0.235 -40.845 1.00 0.00 N ATOM 0 H ASN A 60 9.426 3.482 -41.648 1.00 0.00 H new ATOM 0 HA ASN A 60 8.498 1.469 -41.487 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.363 2.900 -41.654 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.281 2.418 -43.337 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.982 -0.637 -40.524 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.164 0.659 -40.316 1.00 0.00 H new ATOM 1037 N LYS A 61 9.778 1.430 -44.114 1.00 0.00 N ATOM 1038 CA LYS A 61 10.301 0.711 -45.270 1.00 0.00 C ATOM 1039 C LYS A 61 10.496 -0.767 -44.949 1.00 0.00 C ATOM 1040 O LYS A 61 9.759 -1.621 -45.441 1.00 0.00 O ATOM 1041 CB LYS A 61 11.628 1.325 -45.721 1.00 0.00 C ATOM 1042 CG LYS A 61 12.202 0.682 -46.972 1.00 0.00 C ATOM 1043 CD LYS A 61 13.436 1.419 -47.462 1.00 0.00 C ATOM 1044 CE LYS A 61 13.065 2.624 -48.313 1.00 0.00 C ATOM 1045 NZ LYS A 61 12.805 2.245 -49.729 1.00 0.00 N ATOM 0 H LYS A 61 10.402 2.149 -43.748 1.00 0.00 H new ATOM 0 HA LYS A 61 9.575 0.796 -46.078 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.482 2.390 -45.904 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.353 1.237 -44.912 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.457 -0.357 -46.764 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.446 0.674 -47.757 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.030 1.745 -46.608 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.060 0.740 -48.043 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.179 3.103 -47.897 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.871 3.357 -48.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.556 3.094 -50.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.659 1.811 -50.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.019 1.565 -49.768 1.00 0.00 H new ATOM 1059 N ARG A 62 11.492 -1.061 -44.119 1.00 0.00 N ATOM 1060 CA ARG A 62 11.783 -2.436 -43.732 1.00 0.00 C ATOM 1061 C ARG A 62 11.338 -2.703 -42.297 1.00 0.00 C ATOM 1062 O ARG A 62 11.099 -3.848 -41.912 1.00 0.00 O ATOM 1063 CB ARG A 62 13.279 -2.724 -43.876 1.00 0.00 C ATOM 1064 CG ARG A 62 14.166 -1.667 -43.237 1.00 0.00 C ATOM 1065 CD ARG A 62 15.532 -2.231 -42.877 1.00 0.00 C ATOM 1066 NE ARG A 62 15.544 -2.826 -41.544 1.00 0.00 N ATOM 1067 CZ ARG A 62 16.510 -3.627 -41.106 1.00 0.00 C ATOM 1068 NH1 ARG A 62 17.535 -3.926 -41.891 1.00 0.00 N ATOM 1069 NH2 ARG A 62 16.450 -4.130 -39.879 1.00 0.00 N ATOM 0 H ARG A 62 12.111 -0.365 -43.702 1.00 0.00 H new ATOM 0 HA ARG A 62 11.227 -3.099 -44.396 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.499 -3.692 -43.426 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.525 -2.802 -44.935 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.286 -0.828 -43.923 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.683 -1.279 -42.340 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.819 -2.983 -43.612 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.277 -1.437 -42.926 1.00 0.00 H new ATOM 0 HE ARG A 62 14.769 -2.616 -40.915 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.584 -3.541 -42.834 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.275 -4.541 -41.552 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.662 -3.902 -39.272 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.191 -4.745 -39.543 1.00 0.00 H new ATOM 1083 N LEU A 63 11.231 -1.638 -41.509 1.00 0.00 N ATOM 1084 CA LEU A 63 10.815 -1.756 -40.116 1.00 0.00 C ATOM 1085 C LEU A 63 9.438 -2.402 -40.011 1.00 0.00 C ATOM 1086 O LEU A 63 9.122 -3.058 -39.018 1.00 0.00 O ATOM 1087 CB LEU A 63 10.798 -0.379 -39.450 1.00 0.00 C ATOM 1088 CG LEU A 63 11.376 -0.310 -38.036 1.00 0.00 C ATOM 1089 CD1 LEU A 63 10.585 -1.201 -37.091 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.846 -0.707 -38.041 1.00 0.00 C ATOM 0 H LEU A 63 11.427 -0.684 -41.811 1.00 0.00 H new ATOM 0 HA LEU A 63 11.534 -2.393 -39.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.352 0.315 -40.082 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.767 -0.026 -39.417 1.00 0.00 H new ATOM 0 HG LEU A 63 11.298 0.718 -37.683 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.011 -1.139 -36.090 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.546 -0.872 -37.064 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.630 -2.232 -37.441 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.241 -0.652 -37.027 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.946 -1.726 -38.415 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.404 -0.027 -38.685 1.00 0.00 H new ATOM 1102 N ASP A 64 8.622 -2.214 -41.043 1.00 0.00 N ATOM 1103 CA ASP A 64 7.278 -2.781 -41.069 1.00 0.00 C ATOM 1104 C ASP A 64 7.327 -4.299 -40.927 1.00 0.00 C ATOM 1105 O ASP A 64 7.564 -5.015 -41.900 1.00 0.00 O ATOM 1106 CB ASP A 64 6.566 -2.399 -42.367 1.00 0.00 C ATOM 1107 CG ASP A 64 5.056 -2.428 -42.229 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.556 -2.150 -41.118 1.00 0.00 O ATOM 1109 OD2 ASP A 64 4.375 -2.727 -43.231 1.00 0.00 O ATOM 0 H ASP A 64 8.868 -1.673 -41.872 1.00 0.00 H new ATOM 0 HA ASP A 64 6.721 -2.373 -40.226 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.881 -1.401 -42.671 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.869 -3.084 -43.159 1.00 0.00 H new ATOM 1114 N GLU A 65 7.100 -4.782 -39.710 1.00 0.00 N ATOM 1115 CA GLU A 65 7.120 -6.216 -39.442 1.00 0.00 C ATOM 1116 C GLU A 65 6.007 -6.604 -38.473 1.00 0.00 C ATOM 1117 O GLU A 65 5.235 -5.755 -38.026 1.00 0.00 O ATOM 1118 CB GLU A 65 8.477 -6.631 -38.869 1.00 0.00 C ATOM 1119 CG GLU A 65 8.815 -5.954 -37.551 1.00 0.00 C ATOM 1120 CD GLU A 65 10.308 -5.798 -37.342 1.00 0.00 C ATOM 1121 OE1 GLU A 65 10.891 -4.853 -37.914 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.894 -6.619 -36.606 1.00 0.00 O ATOM 0 H GLU A 65 6.900 -4.203 -38.895 1.00 0.00 H new ATOM 0 HA GLU A 65 6.956 -6.738 -40.385 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.486 -7.711 -38.725 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.255 -6.400 -39.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.343 -4.972 -37.520 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.396 -6.536 -36.730 1.00 0.00 H new ATOM 1129 N TRP A 66 5.930 -7.891 -38.155 1.00 0.00 N ATOM 1130 CA TRP A 66 4.910 -8.392 -37.241 1.00 0.00 C ATOM 1131 C TRP A 66 5.547 -9.104 -36.052 1.00 0.00 C ATOM 1132 O TRP A 66 6.505 -9.861 -36.212 1.00 0.00 O ATOM 1133 CB TRP A 66 3.962 -9.344 -37.973 1.00 0.00 C ATOM 1134 CG TRP A 66 4.674 -10.372 -38.798 1.00 0.00 C ATOM 1135 CD1 TRP A 66 5.255 -10.184 -40.020 1.00 0.00 C ATOM 1136 CD2 TRP A 66 4.878 -11.749 -38.462 1.00 0.00 C ATOM 1137 NE1 TRP A 66 5.808 -11.361 -40.463 1.00 0.00 N ATOM 1138 CE2 TRP A 66 5.591 -12.336 -39.526 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.529 -12.543 -37.366 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 5.959 -13.679 -39.523 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 4.895 -13.875 -37.365 1.00 0.00 C ATOM 1142 CH2 TRP A 66 5.605 -14.432 -38.437 1.00 0.00 C ATOM 0 H TRP A 66 6.561 -8.606 -38.516 1.00 0.00 H new ATOM 0 HA TRP A 66 4.341 -7.540 -36.869 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.330 -9.849 -37.242 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.302 -8.764 -38.618 1.00 0.00 H new ATOM 0 HD1 TRP A 66 5.276 -9.248 -40.558 1.00 0.00 H new ATOM 0 HE1 TRP A 66 6.301 -11.488 -41.347 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.983 -12.123 -36.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.505 -14.111 -40.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.629 -14.498 -36.524 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.878 -15.476 -38.405 1.00 0.00 H new ATOM 1153 N ILE A 67 5.010 -8.856 -34.863 1.00 0.00 N ATOM 1154 CA ILE A 67 5.527 -9.476 -33.648 1.00 0.00 C ATOM 1155 C ILE A 67 4.397 -10.052 -32.802 1.00 0.00 C ATOM 1156 O ILE A 67 3.226 -9.976 -33.174 1.00 0.00 O ATOM 1157 CB ILE A 67 6.327 -8.470 -32.800 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.535 -7.172 -32.626 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.677 -8.190 -33.443 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.948 -6.371 -31.411 1.00 0.00 C ATOM 0 H ILE A 67 4.218 -8.231 -34.714 1.00 0.00 H new ATOM 0 HA ILE A 67 6.190 -10.282 -33.962 1.00 0.00 H new ATOM 0 HB ILE A 67 6.498 -8.904 -31.815 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.661 -6.557 -33.517 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.474 -7.410 -32.551 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.230 -7.477 -32.832 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.243 -9.118 -33.520 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.526 -7.774 -34.439 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.345 -5.465 -31.351 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.796 -6.969 -30.512 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.001 -6.102 -31.493 1.00 0.00 H new ATOM 1172 N THR A 68 4.756 -10.629 -31.659 1.00 0.00 N ATOM 1173 CA THR A 68 3.774 -11.218 -30.758 1.00 0.00 C ATOM 1174 C THR A 68 3.480 -10.292 -29.584 1.00 0.00 C ATOM 1175 O THR A 68 3.974 -9.166 -29.528 1.00 0.00 O ATOM 1176 CB THR A 68 4.252 -12.579 -30.218 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.436 -12.405 -29.432 1.00 0.00 O ATOM 1178 CG2 THR A 68 4.531 -13.546 -31.358 1.00 0.00 C ATOM 0 H THR A 68 5.721 -10.701 -31.336 1.00 0.00 H new ATOM 0 HA THR A 68 2.862 -11.366 -31.337 1.00 0.00 H new ATOM 0 HB THR A 68 3.461 -12.996 -29.595 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.733 -13.274 -29.091 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.867 -14.500 -30.952 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.620 -13.699 -31.937 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.306 -13.133 -32.004 1.00 0.00 H new ATOM 1186 N THR A 69 2.671 -10.774 -28.644 1.00 0.00 N ATOM 1187 CA THR A 69 2.311 -9.989 -27.470 1.00 0.00 C ATOM 1188 C THR A 69 3.454 -9.950 -26.463 1.00 0.00 C ATOM 1189 O THR A 69 3.486 -9.094 -25.579 1.00 0.00 O ATOM 1190 CB THR A 69 1.054 -10.554 -26.781 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.745 -9.781 -25.616 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.259 -12.010 -26.391 1.00 0.00 C ATOM 0 H THR A 69 2.253 -11.704 -28.674 1.00 0.00 H new ATOM 0 HA THR A 69 2.103 -8.977 -27.818 1.00 0.00 H new ATOM 0 HB THR A 69 0.224 -10.497 -27.485 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.196 -8.912 -25.671 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.358 -12.387 -25.906 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.465 -12.600 -27.284 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.101 -12.087 -25.703 1.00 0.00 H new ATOM 1200 N ASP A 70 4.391 -10.881 -26.602 1.00 0.00 N ATOM 1201 CA ASP A 70 5.538 -10.952 -25.705 1.00 0.00 C ATOM 1202 C ASP A 70 6.241 -9.601 -25.614 1.00 0.00 C ATOM 1203 O ASP A 70 6.837 -9.268 -24.590 1.00 0.00 O ATOM 1204 CB ASP A 70 6.522 -12.021 -26.183 1.00 0.00 C ATOM 1205 CG ASP A 70 7.372 -12.571 -25.055 1.00 0.00 C ATOM 1206 OD1 ASP A 70 8.174 -11.801 -24.485 1.00 0.00 O ATOM 1207 OD2 ASP A 70 7.236 -13.772 -24.741 1.00 0.00 O ATOM 0 H ASP A 70 4.379 -11.597 -27.328 1.00 0.00 H new ATOM 0 HA ASP A 70 5.175 -11.221 -24.713 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.969 -12.837 -26.649 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.171 -11.597 -26.949 1.00 0.00 H new ATOM 1212 N ARG A 71 6.169 -8.828 -26.693 1.00 0.00 N ATOM 1213 CA ARG A 71 6.800 -7.515 -26.736 1.00 0.00 C ATOM 1214 C ARG A 71 5.756 -6.406 -26.633 1.00 0.00 C ATOM 1215 O ARG A 71 6.061 -5.290 -26.211 1.00 0.00 O ATOM 1216 CB ARG A 71 7.605 -7.354 -28.026 1.00 0.00 C ATOM 1217 CG ARG A 71 8.709 -8.386 -28.188 1.00 0.00 C ATOM 1218 CD ARG A 71 9.049 -8.613 -29.653 1.00 0.00 C ATOM 1219 NE ARG A 71 9.389 -7.367 -30.335 1.00 0.00 N ATOM 1220 CZ ARG A 71 10.089 -7.313 -31.463 1.00 0.00 C ATOM 1221 NH1 ARG A 71 10.520 -8.430 -32.033 1.00 0.00 N ATOM 1222 NH2 ARG A 71 10.358 -6.141 -32.023 1.00 0.00 N ATOM 0 H ARG A 71 5.680 -9.089 -27.549 1.00 0.00 H new ATOM 0 HA ARG A 71 7.474 -7.436 -25.883 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.928 -7.422 -28.878 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.045 -6.357 -28.048 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.599 -8.055 -27.654 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.398 -9.328 -27.735 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.886 -9.307 -29.728 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.201 -9.081 -30.154 1.00 0.00 H new ATOM 0 HE ARG A 71 9.072 -6.490 -29.923 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.314 -9.333 -31.606 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.057 -8.386 -32.899 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.027 -5.280 -31.588 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.896 -6.101 -32.889 1.00 0.00 H new ATOM 1236 N ILE A 72 4.525 -6.722 -27.022 1.00 0.00 N ATOM 1237 CA ILE A 72 3.437 -5.753 -26.973 1.00 0.00 C ATOM 1238 C ILE A 72 2.566 -5.966 -25.740 1.00 0.00 C ATOM 1239 O ILE A 72 1.936 -7.012 -25.586 1.00 0.00 O ATOM 1240 CB ILE A 72 2.554 -5.834 -28.232 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.393 -5.584 -29.487 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.412 -4.833 -28.144 1.00 0.00 C ATOM 1243 CD1 ILE A 72 2.738 -6.076 -30.759 1.00 0.00 C ATOM 0 H ILE A 72 4.256 -7.641 -27.374 1.00 0.00 H new ATOM 0 HA ILE A 72 3.896 -4.766 -26.924 1.00 0.00 H new ATOM 0 HB ILE A 72 2.129 -6.836 -28.295 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.587 -4.515 -29.578 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.359 -6.075 -29.372 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.797 -4.903 -29.041 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.802 -5.053 -27.268 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.818 -3.825 -28.059 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.388 -5.866 -31.608 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.569 -7.150 -30.689 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.784 -5.567 -30.898 1.00 0.00 H new ATOM 1255 N ASN A 73 2.535 -4.967 -24.864 1.00 0.00 N ATOM 1256 CA ASN A 73 1.740 -5.044 -23.644 1.00 0.00 C ATOM 1257 C ASN A 73 0.446 -4.248 -23.787 1.00 0.00 C ATOM 1258 O ASN A 73 0.430 -3.170 -24.382 1.00 0.00 O ATOM 1259 CB ASN A 73 2.544 -4.522 -22.452 1.00 0.00 C ATOM 1260 CG ASN A 73 2.129 -5.171 -21.146 1.00 0.00 C ATOM 1261 OD1 ASN A 73 1.401 -6.164 -21.137 1.00 0.00 O ATOM 1262 ND2 ASN A 73 2.590 -4.610 -20.034 1.00 0.00 N ATOM 0 H ASN A 73 3.051 -4.095 -24.976 1.00 0.00 H new ATOM 0 HA ASN A 73 1.486 -6.090 -23.471 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.605 -4.705 -22.625 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.415 -3.442 -22.375 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.343 -5.002 -19.125 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.191 -3.788 -20.089 1.00 0.00 H new ATOM 1269 N LEU A 74 -0.637 -4.785 -23.236 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.936 -4.125 -23.300 1.00 0.00 C ATOM 1271 C LEU A 74 -1.890 -2.764 -22.613 1.00 0.00 C ATOM 1272 O LEU A 74 -0.857 -2.364 -22.076 1.00 0.00 O ATOM 1273 CB LEU A 74 -3.008 -5.001 -22.651 1.00 0.00 C ATOM 1274 CG LEU A 74 -3.595 -6.106 -23.529 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -4.291 -5.510 -24.743 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -2.508 -7.080 -23.960 1.00 0.00 C ATOM 0 H LEU A 74 -0.641 -5.676 -22.740 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.187 -3.973 -24.350 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.582 -5.461 -21.760 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.823 -4.357 -22.319 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.334 -6.654 -22.944 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.703 -6.312 -25.356 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.097 -4.854 -24.415 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.573 -4.937 -25.329 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.945 -7.860 -24.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.745 -6.546 -24.527 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.055 -7.533 -23.078 1.00 0.00 H new