USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 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 Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.963 X(o=-0.96,f=-0.5) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0416 (180deg=-0.359) USER MOD Single : A 25 CYS SG : rot 180:sc=-0.000639 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 27 CYS SG : rot -166:sc= -1.19 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.195 (180deg=-0.784) USER MOD Single : A 32 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.5!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.614 USER MOD Single : A 44 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0309 (180deg=-0.212) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= -0.599 (180deg=-0.794) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -6.52! C(o=-6.5!,f=-11!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.029) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.97 K(o=-2,f=-4.9!) 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= -0.431 X(o=-0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 1.599 -20.091 -23.011 1.00 0.00 N ATOM 198 CA VAL A 10 1.007 -18.793 -23.310 1.00 0.00 C ATOM 199 C VAL A 10 1.017 -17.889 -22.082 1.00 0.00 C ATOM 200 O VAL A 10 1.056 -18.350 -20.941 1.00 0.00 O ATOM 201 CB VAL A 10 -0.440 -18.938 -23.815 1.00 0.00 C ATOM 202 CG1 VAL A 10 -0.457 -19.402 -25.263 1.00 0.00 C ATOM 203 CG2 VAL A 10 -1.219 -19.899 -22.929 1.00 0.00 C ATOM 0 HA VAL A 10 1.614 -18.342 -24.095 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.923 -17.962 -23.766 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.488 -19.499 -25.602 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.063 -18.673 -25.885 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.043 -20.368 -25.342 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.240 -19.990 -23.300 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.739 -20.878 -22.944 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.237 -19.519 -21.908 1.00 0.00 H new ATOM 213 N PRO A 11 0.981 -16.569 -22.319 1.00 0.00 N ATOM 214 CA PRO A 11 0.984 -15.571 -21.244 1.00 0.00 C ATOM 215 C PRO A 11 -0.321 -15.565 -20.456 1.00 0.00 C ATOM 216 O PRO A 11 -1.400 -15.741 -21.022 1.00 0.00 O ATOM 217 CB PRO A 11 1.164 -14.247 -21.990 1.00 0.00 C ATOM 218 CG PRO A 11 0.630 -14.506 -23.357 1.00 0.00 C ATOM 219 CD PRO A 11 0.934 -15.949 -23.654 1.00 0.00 C ATOM 0 HA PRO A 11 1.761 -15.769 -20.506 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.621 -13.439 -21.499 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.213 -13.951 -22.024 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.443 -14.316 -23.399 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.099 -13.850 -24.090 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.165 -16.401 -24.280 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.881 -16.060 -24.182 1.00 0.00 H new ATOM 227 N ARG A 12 -0.215 -15.361 -19.147 1.00 0.00 N ATOM 228 CA ARG A 12 -1.388 -15.333 -18.281 1.00 0.00 C ATOM 229 C ARG A 12 -1.138 -14.458 -17.056 1.00 0.00 C ATOM 230 O ARG A 12 -0.053 -13.902 -16.888 1.00 0.00 O ATOM 231 CB ARG A 12 -1.758 -16.751 -17.841 1.00 0.00 C ATOM 232 CG ARG A 12 -2.760 -17.431 -18.759 1.00 0.00 C ATOM 233 CD ARG A 12 -2.984 -18.882 -18.361 1.00 0.00 C ATOM 234 NE ARG A 12 -1.784 -19.693 -18.551 1.00 0.00 N ATOM 235 CZ ARG A 12 -1.754 -21.010 -18.383 1.00 0.00 C ATOM 236 NH1 ARG A 12 -2.852 -21.662 -18.024 1.00 0.00 N ATOM 237 NH2 ARG A 12 -0.624 -21.678 -18.574 1.00 0.00 N ATOM 0 H ARG A 12 0.671 -15.213 -18.663 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.217 -14.908 -18.847 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.852 -17.356 -17.794 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.169 -16.714 -16.832 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.708 -16.893 -18.727 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.402 -17.386 -19.788 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.291 -18.928 -17.316 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.800 -19.298 -18.952 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.922 -19.222 -18.828 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.723 -21.152 -17.876 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.826 -22.674 -17.896 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.222 -21.180 -18.850 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.601 -22.690 -18.445 1.00 0.00 H new ATOM 251 N GLY A 13 -2.150 -14.340 -16.202 1.00 0.00 N ATOM 252 CA GLY A 13 -2.021 -13.531 -15.005 1.00 0.00 C ATOM 253 C GLY A 13 -2.816 -12.243 -15.086 1.00 0.00 C ATOM 254 O GLY A 13 -3.593 -12.043 -16.020 1.00 0.00 O ATOM 0 H GLY A 13 -3.058 -14.791 -16.318 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.356 -14.108 -14.143 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.969 -13.295 -14.841 1.00 0.00 H new ATOM 258 N SER A 14 -2.623 -11.367 -14.105 1.00 0.00 N ATOM 259 CA SER A 14 -3.333 -10.094 -14.066 1.00 0.00 C ATOM 260 C SER A 14 -3.072 -9.288 -15.335 1.00 0.00 C ATOM 261 O SER A 14 -2.035 -8.639 -15.469 1.00 0.00 O ATOM 262 CB SER A 14 -2.908 -9.286 -12.838 1.00 0.00 C ATOM 263 OG SER A 14 -3.515 -9.790 -11.661 1.00 0.00 O ATOM 0 H SER A 14 -1.981 -11.516 -13.327 1.00 0.00 H new ATOM 0 HA SER A 14 -4.401 -10.303 -14.002 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.823 -9.319 -12.734 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.183 -8.240 -12.974 1.00 0.00 H new ATOM 0 HG SER A 14 -3.226 -9.258 -10.890 1.00 0.00 H new ATOM 269 N HIS A 15 -4.022 -9.335 -16.264 1.00 0.00 N ATOM 270 CA HIS A 15 -3.896 -8.609 -17.523 1.00 0.00 C ATOM 271 C HIS A 15 -5.239 -8.535 -18.244 1.00 0.00 C ATOM 272 O HIS A 15 -6.246 -9.045 -17.754 1.00 0.00 O ATOM 273 CB HIS A 15 -2.857 -9.280 -18.422 1.00 0.00 C ATOM 274 CG HIS A 15 -1.492 -8.673 -18.316 1.00 0.00 C ATOM 275 ND1 HIS A 15 -0.335 -9.423 -18.282 1.00 0.00 N ATOM 276 CD2 HIS A 15 -1.102 -7.379 -18.240 1.00 0.00 C ATOM 277 CE1 HIS A 15 0.707 -8.616 -18.187 1.00 0.00 C ATOM 278 NE2 HIS A 15 0.268 -7.371 -18.160 1.00 0.00 N ATOM 0 H HIS A 15 -4.887 -9.868 -16.169 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.568 -7.594 -17.297 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.796 -10.338 -18.166 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.192 -9.221 -19.457 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.749 -6.514 -18.242 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.742 -8.923 -18.140 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.853 -6.538 -18.091 1.00 0.00 H new ATOM 286 N MET A 16 -5.244 -7.898 -19.410 1.00 0.00 N ATOM 287 CA MET A 16 -6.463 -7.759 -20.199 1.00 0.00 C ATOM 288 C MET A 16 -6.503 -8.788 -21.324 1.00 0.00 C ATOM 289 O MET A 16 -5.653 -9.675 -21.397 1.00 0.00 O ATOM 290 CB MET A 16 -6.562 -6.347 -20.779 1.00 0.00 C ATOM 291 CG MET A 16 -6.556 -5.253 -19.723 1.00 0.00 C ATOM 292 SD MET A 16 -4.895 -4.670 -19.336 1.00 0.00 S ATOM 293 CE MET A 16 -4.983 -4.557 -17.551 1.00 0.00 C ATOM 0 H MET A 16 -4.419 -7.470 -19.829 1.00 0.00 H new ATOM 0 HA MET A 16 -7.314 -7.934 -19.541 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.729 -6.185 -21.463 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.477 -6.268 -21.367 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.159 -4.414 -20.071 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.026 -5.628 -18.814 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.027 -4.208 -17.161 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.768 -3.855 -17.269 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.208 -5.539 -17.135 1.00 0.00 H new ATOM 303 N SER A 17 -7.497 -8.663 -22.198 1.00 0.00 N ATOM 304 CA SER A 17 -7.650 -9.585 -23.318 1.00 0.00 C ATOM 305 C SER A 17 -7.101 -8.974 -24.603 1.00 0.00 C ATOM 306 O SER A 17 -7.374 -7.817 -24.920 1.00 0.00 O ATOM 307 CB SER A 17 -9.123 -9.955 -23.503 1.00 0.00 C ATOM 308 OG SER A 17 -9.730 -10.268 -22.262 1.00 0.00 O ATOM 0 H SER A 17 -8.208 -7.933 -22.152 1.00 0.00 H new ATOM 0 HA SER A 17 -7.082 -10.488 -23.095 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.653 -9.126 -23.972 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.205 -10.808 -24.177 1.00 0.00 H new ATOM 0 HG SER A 17 -10.671 -10.499 -22.407 1.00 0.00 H new ATOM 314 N VAL A 18 -6.325 -9.762 -25.341 1.00 0.00 N ATOM 315 CA VAL A 18 -5.738 -9.301 -26.593 1.00 0.00 C ATOM 316 C VAL A 18 -6.698 -9.505 -27.759 1.00 0.00 C ATOM 317 O VAL A 18 -6.610 -8.819 -28.777 1.00 0.00 O ATOM 318 CB VAL A 18 -4.417 -10.033 -26.897 1.00 0.00 C ATOM 319 CG1 VAL A 18 -3.542 -9.196 -27.817 1.00 0.00 C ATOM 320 CG2 VAL A 18 -3.683 -10.364 -25.606 1.00 0.00 C ATOM 0 H VAL A 18 -6.089 -10.723 -25.093 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.537 -8.236 -26.474 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.649 -10.968 -27.407 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.613 -9.729 -28.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.069 -9.014 -28.754 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.316 -8.244 -27.337 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.752 -10.881 -25.839 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.462 -9.443 -25.067 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.309 -11.006 -24.986 1.00 0.00 H new ATOM 330 N ASP A 19 -7.616 -10.453 -27.603 1.00 0.00 N ATOM 331 CA ASP A 19 -8.596 -10.748 -28.642 1.00 0.00 C ATOM 332 C ASP A 19 -9.598 -9.606 -28.783 1.00 0.00 C ATOM 333 O ASP A 19 -10.394 -9.578 -29.722 1.00 0.00 O ATOM 334 CB ASP A 19 -9.330 -12.052 -28.327 1.00 0.00 C ATOM 335 CG ASP A 19 -9.889 -12.717 -29.569 1.00 0.00 C ATOM 336 OD1 ASP A 19 -9.114 -12.939 -30.523 1.00 0.00 O ATOM 337 OD2 ASP A 19 -11.101 -13.016 -29.587 1.00 0.00 O ATOM 0 H ASP A 19 -7.702 -11.030 -26.767 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.064 -10.860 -29.587 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.646 -12.739 -27.827 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.143 -11.848 -27.630 1.00 0.00 H new ATOM 342 N ASP A 20 -9.554 -8.668 -27.844 1.00 0.00 N ATOM 343 CA ASP A 20 -10.459 -7.524 -27.863 1.00 0.00 C ATOM 344 C ASP A 20 -9.769 -6.296 -28.450 1.00 0.00 C ATOM 345 O ASP A 20 -10.158 -5.162 -28.171 1.00 0.00 O ATOM 346 CB ASP A 20 -10.958 -7.217 -26.450 1.00 0.00 C ATOM 347 CG ASP A 20 -12.169 -6.306 -26.449 1.00 0.00 C ATOM 348 OD1 ASP A 20 -12.630 -5.930 -27.547 1.00 0.00 O ATOM 349 OD2 ASP A 20 -12.656 -5.969 -25.350 1.00 0.00 O ATOM 0 H ASP A 20 -8.902 -8.677 -27.060 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.311 -7.777 -28.494 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.209 -8.150 -25.946 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.156 -6.751 -25.878 1.00 0.00 H new ATOM 354 N ILE A 21 -8.745 -6.531 -29.263 1.00 0.00 N ATOM 355 CA ILE A 21 -8.002 -5.444 -29.889 1.00 0.00 C ATOM 356 C ILE A 21 -8.505 -5.178 -31.303 1.00 0.00 C ATOM 357 O ILE A 21 -8.842 -6.106 -32.038 1.00 0.00 O ATOM 358 CB ILE A 21 -6.493 -5.751 -29.942 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.925 -5.872 -28.526 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.760 -4.670 -30.721 1.00 0.00 C ATOM 361 CD1 ILE A 21 -4.452 -6.211 -28.493 1.00 0.00 C ATOM 0 H ILE A 21 -8.411 -7.464 -29.504 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.163 -4.557 -29.276 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.349 -6.702 -30.454 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.085 -4.932 -27.997 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.478 -6.640 -27.986 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.695 -4.901 -30.750 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.149 -4.627 -31.738 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.909 -3.706 -30.234 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.118 -6.281 -27.458 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.287 -7.166 -28.993 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.888 -5.431 -29.005 1.00 0.00 H new ATOM 373 N ILE A 22 -8.552 -3.904 -31.678 1.00 0.00 N ATOM 374 CA ILE A 22 -9.011 -3.515 -33.006 1.00 0.00 C ATOM 375 C ILE A 22 -7.835 -3.191 -33.921 1.00 0.00 C ATOM 376 O ILE A 22 -6.676 -3.371 -33.547 1.00 0.00 O ATOM 377 CB ILE A 22 -9.949 -2.296 -32.942 1.00 0.00 C ATOM 378 CG1 ILE A 22 -9.176 -1.052 -32.498 1.00 0.00 C ATOM 379 CG2 ILE A 22 -11.111 -2.569 -31.998 1.00 0.00 C ATOM 380 CD1 ILE A 22 -10.030 0.193 -32.416 1.00 0.00 C ATOM 0 H ILE A 22 -8.278 -3.124 -31.081 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.560 -4.365 -33.412 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.351 -2.114 -33.939 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.729 -1.241 -31.522 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.357 -0.875 -33.195 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.765 -1.697 -31.964 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.674 -3.431 -32.354 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.727 -2.774 -30.999 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.416 1.035 -32.095 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.456 0.407 -33.396 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.834 0.036 -31.697 1.00 0.00 H new ATOM 392 N ILE A 23 -8.142 -2.711 -35.121 1.00 0.00 N ATOM 393 CA ILE A 23 -7.110 -2.358 -36.089 1.00 0.00 C ATOM 394 C ILE A 23 -6.759 -0.877 -36.002 1.00 0.00 C ATOM 395 O ILE A 23 -7.567 -0.060 -35.560 1.00 0.00 O ATOM 396 CB ILE A 23 -7.552 -2.686 -37.527 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.220 -4.062 -37.578 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.361 -2.635 -38.472 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.327 -5.185 -37.097 1.00 0.00 C ATOM 0 H ILE A 23 -9.096 -2.557 -35.447 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.230 -2.952 -35.844 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.278 -1.938 -37.847 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.124 -4.041 -36.969 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.530 -4.269 -38.602 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.690 -2.869 -39.485 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.925 -1.636 -38.454 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.614 -3.363 -38.156 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.865 -6.131 -37.161 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.434 -5.233 -37.721 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.037 -5.002 -36.062 1.00 0.00 H new ATOM 411 N LYS A 24 -5.548 -0.536 -36.430 1.00 0.00 N ATOM 412 CA LYS A 24 -5.088 0.848 -36.404 1.00 0.00 C ATOM 413 C LYS A 24 -5.063 1.387 -34.978 1.00 0.00 C ATOM 414 O LYS A 24 -5.319 2.569 -34.746 1.00 0.00 O ATOM 415 CB LYS A 24 -5.992 1.723 -37.276 1.00 0.00 C ATOM 416 CG LYS A 24 -6.122 1.227 -38.706 1.00 0.00 C ATOM 417 CD LYS A 24 -4.765 1.084 -39.373 1.00 0.00 C ATOM 418 CE LYS A 24 -4.900 0.874 -40.873 1.00 0.00 C ATOM 419 NZ LYS A 24 -5.452 2.079 -41.554 1.00 0.00 N ATOM 0 H LYS A 24 -4.867 -1.199 -36.799 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.073 0.875 -36.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.983 1.770 -36.825 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.599 2.739 -37.287 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.635 0.265 -38.713 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.738 1.921 -39.278 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.169 1.976 -39.182 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.229 0.242 -38.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.924 0.633 -41.295 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.550 0.020 -41.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.250 2.025 -42.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.481 2.121 -41.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.011 2.934 -41.159 1.00 0.00 H new ATOM 433 N CYS A 25 -4.753 0.514 -34.026 1.00 0.00 N ATOM 434 CA CYS A 25 -4.695 0.903 -32.621 1.00 0.00 C ATOM 435 C CYS A 25 -3.267 1.250 -32.212 1.00 0.00 C ATOM 436 O CYS A 25 -2.306 0.781 -32.821 1.00 0.00 O ATOM 437 CB CYS A 25 -5.232 -0.222 -31.736 1.00 0.00 C ATOM 438 SG CYS A 25 -5.759 0.318 -30.093 1.00 0.00 S ATOM 0 H CYS A 25 -4.538 -0.468 -34.201 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.317 1.788 -32.489 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.076 -0.694 -32.239 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.460 -0.983 -31.626 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.199 -0.704 -29.421 1.00 0.00 H new ATOM 444 N GLN A 26 -3.137 2.076 -31.179 1.00 0.00 N ATOM 445 CA GLN A 26 -1.826 2.488 -30.691 1.00 0.00 C ATOM 446 C GLN A 26 -1.331 1.545 -29.599 1.00 0.00 C ATOM 447 O GLN A 26 -2.010 1.333 -28.594 1.00 0.00 O ATOM 448 CB GLN A 26 -1.884 3.920 -30.157 1.00 0.00 C ATOM 449 CG GLN A 26 -2.825 4.091 -28.975 1.00 0.00 C ATOM 450 CD GLN A 26 -3.457 5.468 -28.927 1.00 0.00 C ATOM 451 OE1 GLN A 26 -2.844 6.459 -29.324 1.00 0.00 O ATOM 452 NE2 GLN A 26 -4.689 5.538 -28.438 1.00 0.00 N ATOM 0 H GLN A 26 -3.923 2.473 -30.664 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.126 2.447 -31.526 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.882 4.229 -29.861 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.198 4.586 -30.960 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.610 3.337 -29.028 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.276 3.915 -28.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.160 4.691 -28.120 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.164 6.439 -28.380 1.00 0.00 H new ATOM 461 N CYS A 27 -0.145 0.983 -29.803 1.00 0.00 N ATOM 462 CA CYS A 27 0.441 0.061 -28.837 1.00 0.00 C ATOM 463 C CYS A 27 1.843 0.511 -28.437 1.00 0.00 C ATOM 464 O CYS A 27 2.723 0.657 -29.285 1.00 0.00 O ATOM 465 CB CYS A 27 0.492 -1.354 -29.415 1.00 0.00 C ATOM 466 SG CYS A 27 -1.002 -2.328 -29.115 1.00 0.00 S ATOM 0 H CYS A 27 0.430 1.150 -30.629 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.188 0.059 -27.947 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.661 -1.290 -30.490 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.347 -1.879 -28.988 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.763 -3.580 -29.372 1.00 0.00 H new ATOM 472 N TRP A 28 2.041 0.730 -27.142 1.00 0.00 N ATOM 473 CA TRP A 28 3.336 1.165 -26.631 1.00 0.00 C ATOM 474 C TRP A 28 4.298 -0.011 -26.513 1.00 0.00 C ATOM 475 O TRP A 28 3.958 -1.050 -25.946 1.00 0.00 O ATOM 476 CB TRP A 28 3.168 1.841 -25.269 1.00 0.00 C ATOM 477 CG TRP A 28 2.916 3.315 -25.364 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.705 3.945 -25.315 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.898 4.344 -25.527 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.875 5.303 -25.438 1.00 0.00 N ATOM 481 CE2 TRP A 28 3.211 5.573 -25.568 1.00 0.00 C ATOM 482 CE3 TRP A 28 5.291 4.347 -25.640 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.872 6.790 -25.718 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.945 5.555 -25.790 1.00 0.00 C ATOM 485 CH2 TRP A 28 5.236 6.763 -25.827 1.00 0.00 C ATOM 0 H TRP A 28 1.322 0.614 -26.427 1.00 0.00 H new ATOM 0 HA TRP A 28 3.755 1.883 -27.337 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.340 1.372 -24.738 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.065 1.671 -24.674 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.753 3.448 -25.197 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.128 5.997 -25.433 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.847 3.421 -25.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.327 7.722 -25.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.021 5.568 -25.880 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.776 7.691 -25.944 1.00 0.00 H new ATOM 496 N VAL A 29 5.501 0.157 -27.053 1.00 0.00 N ATOM 497 CA VAL A 29 6.513 -0.891 -27.007 1.00 0.00 C ATOM 498 C VAL A 29 7.525 -0.630 -25.896 1.00 0.00 C ATOM 499 O VAL A 29 8.304 0.320 -25.965 1.00 0.00 O ATOM 500 CB VAL A 29 7.260 -1.009 -28.349 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.173 -2.226 -28.346 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.272 -1.076 -29.503 1.00 0.00 C ATOM 0 H VAL A 29 5.798 1.010 -27.528 1.00 0.00 H new ATOM 0 HA VAL A 29 5.991 -1.827 -26.806 1.00 0.00 H new ATOM 0 HB VAL A 29 7.878 -0.121 -28.481 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.693 -2.293 -29.302 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.903 -2.131 -27.542 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.578 -3.126 -28.192 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.816 -1.159 -30.444 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.626 -1.946 -29.379 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.664 -0.171 -29.514 1.00 0.00 H new ATOM 512 N GLN A 30 7.506 -1.480 -24.875 1.00 0.00 N ATOM 513 CA GLN A 30 8.423 -1.340 -23.749 1.00 0.00 C ATOM 514 C GLN A 30 9.752 -2.028 -24.041 1.00 0.00 C ATOM 515 O GLN A 30 9.867 -3.250 -23.939 1.00 0.00 O ATOM 516 CB GLN A 30 7.799 -1.926 -22.481 1.00 0.00 C ATOM 517 CG GLN A 30 8.713 -1.863 -21.268 1.00 0.00 C ATOM 518 CD GLN A 30 8.006 -2.249 -19.984 1.00 0.00 C ATOM 519 OE1 GLN A 30 7.182 -1.496 -19.465 1.00 0.00 O ATOM 520 NE2 GLN A 30 8.326 -3.428 -19.463 1.00 0.00 N ATOM 0 H GLN A 30 6.867 -2.272 -24.804 1.00 0.00 H new ATOM 0 HA GLN A 30 8.611 -0.277 -23.595 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.877 -1.390 -22.259 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.527 -2.965 -22.667 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.563 -2.527 -21.424 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.111 -0.853 -21.170 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.015 -4.021 -19.927 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.883 -3.741 -18.599 1.00 0.00 H new ATOM 529 N LYS A 31 10.755 -1.236 -24.404 1.00 0.00 N ATOM 530 CA LYS A 31 12.078 -1.767 -24.711 1.00 0.00 C ATOM 531 C LYS A 31 12.843 -2.092 -23.432 1.00 0.00 C ATOM 532 O LYS A 31 12.465 -1.660 -22.344 1.00 0.00 O ATOM 533 CB LYS A 31 12.871 -0.764 -25.552 1.00 0.00 C ATOM 534 CG LYS A 31 13.692 -1.410 -26.654 1.00 0.00 C ATOM 535 CD LYS A 31 12.804 -2.063 -27.700 1.00 0.00 C ATOM 536 CE LYS A 31 12.580 -1.146 -28.893 1.00 0.00 C ATOM 537 NZ LYS A 31 13.855 -0.819 -29.589 1.00 0.00 N ATOM 0 H LYS A 31 10.677 -0.223 -24.493 1.00 0.00 H new ATOM 0 HA LYS A 31 11.950 -2.687 -25.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.179 -0.049 -25.997 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.536 -0.200 -24.898 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.322 -0.658 -27.128 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.358 -2.157 -26.223 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.260 -2.994 -28.036 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.844 -2.322 -27.253 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.896 -1.623 -29.594 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.102 -0.225 -28.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.665 -0.641 -30.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.277 0.030 -29.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.515 -1.617 -29.497 1.00 0.00 H new ATOM 551 N ASN A 32 13.923 -2.855 -23.571 1.00 0.00 N ATOM 552 CA ASN A 32 14.742 -3.236 -22.426 1.00 0.00 C ATOM 553 C ASN A 32 15.129 -2.012 -21.602 1.00 0.00 C ATOM 554 O ASN A 32 14.767 -1.899 -20.431 1.00 0.00 O ATOM 555 CB ASN A 32 16.001 -3.969 -22.895 1.00 0.00 C ATOM 556 CG ASN A 32 16.730 -4.652 -21.755 1.00 0.00 C ATOM 557 OD1 ASN A 32 16.516 -4.332 -20.585 1.00 0.00 O ATOM 558 ND2 ASN A 32 17.598 -5.600 -22.091 1.00 0.00 N ATOM 0 H ASN A 32 14.251 -3.221 -24.465 1.00 0.00 H new ATOM 0 HA ASN A 32 14.154 -3.904 -21.796 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.728 -4.712 -23.645 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.672 -3.260 -23.379 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.118 -6.095 -21.367 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.744 -5.833 -23.073 1.00 0.00 H new ATOM 565 N ASP A 33 15.866 -1.098 -22.223 1.00 0.00 N ATOM 566 CA ASP A 33 16.302 0.120 -21.548 1.00 0.00 C ATOM 567 C ASP A 33 15.843 1.358 -22.312 1.00 0.00 C ATOM 568 O ASP A 33 16.396 2.444 -22.140 1.00 0.00 O ATOM 569 CB ASP A 33 17.824 0.130 -21.401 1.00 0.00 C ATOM 570 CG ASP A 33 18.283 0.905 -20.181 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.913 0.511 -19.056 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.010 1.906 -20.352 1.00 0.00 O ATOM 0 H ASP A 33 16.174 -1.177 -23.192 1.00 0.00 H new ATOM 0 HA ASP A 33 15.850 0.139 -20.556 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.186 -0.896 -21.334 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.270 0.567 -22.294 1.00 0.00 H new ATOM 577 N GLU A 34 14.831 1.185 -23.156 1.00 0.00 N ATOM 578 CA GLU A 34 14.300 2.289 -23.948 1.00 0.00 C ATOM 579 C GLU A 34 12.778 2.219 -24.027 1.00 0.00 C ATOM 580 O GLU A 34 12.159 1.310 -23.475 1.00 0.00 O ATOM 581 CB GLU A 34 14.896 2.268 -25.357 1.00 0.00 C ATOM 582 CG GLU A 34 16.323 2.786 -25.422 1.00 0.00 C ATOM 583 CD GLU A 34 16.990 2.493 -26.752 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.865 1.351 -27.241 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.638 3.407 -27.304 1.00 0.00 O ATOM 0 H GLU A 34 14.363 0.292 -23.309 1.00 0.00 H new ATOM 0 HA GLU A 34 14.579 3.221 -23.457 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.871 1.247 -25.738 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.270 2.869 -26.016 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.323 3.862 -25.249 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.906 2.334 -24.620 1.00 0.00 H new ATOM 592 N GLU A 35 12.182 3.187 -24.716 1.00 0.00 N ATOM 593 CA GLU A 35 10.733 3.236 -24.866 1.00 0.00 C ATOM 594 C GLU A 35 10.346 3.662 -26.279 1.00 0.00 C ATOM 595 O GLU A 35 10.819 4.680 -26.784 1.00 0.00 O ATOM 596 CB GLU A 35 10.125 4.202 -23.846 1.00 0.00 C ATOM 597 CG GLU A 35 8.700 3.853 -23.451 1.00 0.00 C ATOM 598 CD GLU A 35 8.302 4.450 -22.116 1.00 0.00 C ATOM 599 OE1 GLU A 35 8.931 4.095 -21.097 1.00 0.00 O ATOM 600 OE2 GLU A 35 7.361 5.271 -22.089 1.00 0.00 O ATOM 0 H GLU A 35 12.680 3.947 -25.179 1.00 0.00 H new ATOM 0 HA GLU A 35 10.341 2.235 -24.687 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.749 4.213 -22.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.142 5.211 -24.259 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.016 4.208 -24.222 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.595 2.769 -23.406 1.00 0.00 H new ATOM 607 N ARG A 36 9.482 2.874 -26.912 1.00 0.00 N ATOM 608 CA ARG A 36 9.033 3.168 -28.268 1.00 0.00 C ATOM 609 C ARG A 36 7.522 2.991 -28.390 1.00 0.00 C ATOM 610 O ARG A 36 6.866 2.506 -27.467 1.00 0.00 O ATOM 611 CB ARG A 36 9.746 2.260 -29.272 1.00 0.00 C ATOM 612 CG ARG A 36 9.950 2.902 -30.635 1.00 0.00 C ATOM 613 CD ARG A 36 11.163 2.324 -31.346 1.00 0.00 C ATOM 614 NE ARG A 36 12.409 2.653 -30.659 1.00 0.00 N ATOM 615 CZ ARG A 36 12.999 3.841 -30.733 1.00 0.00 C ATOM 616 NH1 ARG A 36 12.458 4.808 -31.461 1.00 0.00 N ATOM 617 NH2 ARG A 36 14.131 4.063 -30.078 1.00 0.00 N ATOM 0 H ARG A 36 9.080 2.028 -26.508 1.00 0.00 H new ATOM 0 HA ARG A 36 9.279 4.207 -28.489 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.716 1.974 -28.865 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.169 1.343 -29.394 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.061 2.750 -31.247 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.075 3.978 -30.517 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.061 1.241 -31.413 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.200 2.705 -32.367 1.00 0.00 H new ATOM 0 HE ARG A 36 12.851 1.930 -30.091 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.587 4.640 -31.965 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.912 5.720 -31.517 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.549 3.321 -29.517 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.583 4.976 -30.136 1.00 0.00 H new ATOM 631 N LEU A 37 6.975 3.388 -29.534 1.00 0.00 N ATOM 632 CA LEU A 37 5.542 3.274 -29.777 1.00 0.00 C ATOM 633 C LEU A 37 5.266 2.812 -31.204 1.00 0.00 C ATOM 634 O LEU A 37 5.918 3.258 -32.148 1.00 0.00 O ATOM 635 CB LEU A 37 4.853 4.616 -29.521 1.00 0.00 C ATOM 636 CG LEU A 37 3.404 4.728 -29.997 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.498 3.832 -29.167 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.932 6.173 -29.933 1.00 0.00 C ATOM 0 H LEU A 37 7.503 3.792 -30.308 1.00 0.00 H new ATOM 0 HA LEU A 37 5.140 2.529 -29.090 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.879 4.817 -28.450 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.435 5.399 -30.006 1.00 0.00 H new ATOM 0 HG LEU A 37 3.356 4.397 -31.034 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.471 3.925 -29.521 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.823 2.796 -29.264 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.550 4.132 -28.120 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.899 6.234 -30.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.995 6.531 -28.906 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.563 6.791 -30.572 1.00 0.00 H new ATOM 650 N ALA A 38 4.295 1.918 -31.355 1.00 0.00 N ATOM 651 CA ALA A 38 3.930 1.399 -32.667 1.00 0.00 C ATOM 652 C ALA A 38 2.418 1.257 -32.801 1.00 0.00 C ATOM 653 O ALA A 38 1.685 1.380 -31.820 1.00 0.00 O ATOM 654 CB ALA A 38 4.612 0.061 -32.913 1.00 0.00 C ATOM 0 H ALA A 38 3.746 1.538 -30.584 1.00 0.00 H new ATOM 0 HA ALA A 38 4.269 2.111 -33.419 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.331 -0.315 -33.897 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.693 0.190 -32.870 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.301 -0.652 -32.149 1.00 0.00 H new ATOM 660 N GLU A 39 1.958 0.999 -34.021 1.00 0.00 N ATOM 661 CA GLU A 39 0.532 0.843 -34.281 1.00 0.00 C ATOM 662 C GLU A 39 0.222 -0.564 -34.786 1.00 0.00 C ATOM 663 O GLU A 39 1.120 -1.300 -35.196 1.00 0.00 O ATOM 664 CB GLU A 39 0.061 1.878 -35.305 1.00 0.00 C ATOM 665 CG GLU A 39 -1.374 2.332 -35.096 1.00 0.00 C ATOM 666 CD GLU A 39 -1.747 3.510 -35.974 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.482 3.450 -37.193 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.305 4.493 -35.442 1.00 0.00 O ATOM 0 H GLU A 39 2.551 0.894 -34.844 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.001 1.001 -33.343 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.718 2.746 -35.260 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.158 1.457 -36.306 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.048 1.501 -35.304 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.516 2.604 -34.050 1.00 0.00 H new ATOM 675 N ILE A 40 -1.055 -0.931 -34.751 1.00 0.00 N ATOM 676 CA ILE A 40 -1.483 -2.248 -35.205 1.00 0.00 C ATOM 677 C ILE A 40 -2.058 -2.183 -36.616 1.00 0.00 C ATOM 678 O ILE A 40 -2.979 -1.413 -36.889 1.00 0.00 O ATOM 679 CB ILE A 40 -2.539 -2.852 -34.260 1.00 0.00 C ATOM 680 CG1 ILE A 40 -2.079 -2.737 -32.806 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.805 -4.306 -34.624 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.829 -3.533 -32.502 1.00 0.00 C ATOM 0 H ILE A 40 -1.811 -0.335 -34.413 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.599 -2.885 -35.205 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.468 -2.293 -34.372 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.897 -1.688 -32.573 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.883 -3.074 -32.152 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.553 -4.719 -33.948 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.171 -4.363 -35.649 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.881 -4.878 -34.536 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.562 -3.404 -31.453 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.012 -4.589 -32.703 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.011 -3.181 -33.131 1.00 0.00 H new ATOM 694 N LEU A 41 -1.508 -2.998 -37.510 1.00 0.00 N ATOM 695 CA LEU A 41 -1.967 -3.036 -38.894 1.00 0.00 C ATOM 696 C LEU A 41 -2.845 -4.258 -39.144 1.00 0.00 C ATOM 697 O LEU A 41 -4.047 -4.133 -39.380 1.00 0.00 O ATOM 698 CB LEU A 41 -0.771 -3.050 -39.848 1.00 0.00 C ATOM 699 CG LEU A 41 0.344 -2.050 -39.541 1.00 0.00 C ATOM 700 CD1 LEU A 41 1.636 -2.463 -40.229 1.00 0.00 C ATOM 701 CD2 LEU A 41 -0.065 -0.647 -39.966 1.00 0.00 C ATOM 0 H LEU A 41 -0.744 -3.641 -37.301 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.561 -2.141 -39.078 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.343 -4.052 -39.847 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.135 -2.859 -40.858 1.00 0.00 H new ATOM 0 HG LEU A 41 0.515 -2.046 -38.465 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.418 -1.739 -39.999 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.938 -3.449 -39.875 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.479 -2.497 -41.307 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.741 0.051 -39.740 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.265 -0.635 -41.037 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.964 -0.351 -39.426 1.00 0.00 H new ATOM 713 N SER A 42 -2.237 -5.439 -39.087 1.00 0.00 N ATOM 714 CA SER A 42 -2.963 -6.684 -39.309 1.00 0.00 C ATOM 715 C SER A 42 -2.878 -7.588 -38.083 1.00 0.00 C ATOM 716 O SER A 42 -2.086 -7.343 -37.172 1.00 0.00 O ATOM 717 CB SER A 42 -2.407 -7.412 -40.534 1.00 0.00 C ATOM 718 OG SER A 42 -1.001 -7.263 -40.621 1.00 0.00 O ATOM 0 H SER A 42 -1.244 -5.560 -38.889 1.00 0.00 H new ATOM 0 HA SER A 42 -4.010 -6.439 -39.486 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.661 -8.471 -40.478 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.874 -7.019 -41.437 1.00 0.00 H new ATOM 0 HG SER A 42 -0.670 -7.739 -41.411 1.00 0.00 H new ATOM 724 N ILE A 43 -3.698 -8.633 -38.068 1.00 0.00 N ATOM 725 CA ILE A 43 -3.715 -9.574 -36.956 1.00 0.00 C ATOM 726 C ILE A 43 -3.868 -11.008 -37.451 1.00 0.00 C ATOM 727 O ILE A 43 -4.694 -11.291 -38.318 1.00 0.00 O ATOM 728 CB ILE A 43 -4.855 -9.260 -35.969 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.787 -7.797 -35.527 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.784 -10.187 -34.765 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.879 -7.408 -34.555 1.00 0.00 C ATOM 0 H ILE A 43 -4.359 -8.849 -38.814 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.760 -9.469 -36.441 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.808 -9.424 -36.473 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.817 -7.610 -35.065 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.850 -7.157 -36.407 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.596 -9.952 -34.077 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.876 -11.221 -35.096 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.829 -10.052 -34.258 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.769 -6.358 -34.285 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.852 -7.563 -35.020 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.804 -8.023 -33.658 1.00 0.00 H new ATOM 743 N ASN A 44 -3.067 -11.910 -36.894 1.00 0.00 N ATOM 744 CA ASN A 44 -3.114 -13.316 -37.278 1.00 0.00 C ATOM 745 C ASN A 44 -3.347 -14.206 -36.061 1.00 0.00 C ATOM 746 O ASN A 44 -2.671 -14.071 -35.040 1.00 0.00 O ATOM 747 CB ASN A 44 -1.813 -13.719 -37.976 1.00 0.00 C ATOM 748 CG ASN A 44 -1.742 -13.213 -39.404 1.00 0.00 C ATOM 749 OD1 ASN A 44 -2.760 -12.861 -40.001 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.537 -13.174 -39.959 1.00 0.00 N ATOM 0 H ASN A 44 -2.377 -11.692 -36.175 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.947 -13.450 -37.968 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.966 -13.328 -37.413 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.724 -14.805 -37.974 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.427 -12.843 -40.917 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.279 -13.475 -39.427 1.00 0.00 H new ATOM 757 N THR A 45 -4.309 -15.116 -36.175 1.00 0.00 N ATOM 758 CA THR A 45 -4.633 -16.027 -35.085 1.00 0.00 C ATOM 759 C THR A 45 -4.290 -17.467 -35.452 1.00 0.00 C ATOM 760 O THR A 45 -5.056 -18.388 -35.169 1.00 0.00 O ATOM 761 CB THR A 45 -6.125 -15.947 -34.710 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.934 -16.121 -35.878 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.447 -14.611 -34.057 1.00 0.00 C ATOM 0 H THR A 45 -4.878 -15.242 -37.012 1.00 0.00 H new ATOM 0 HA THR A 45 -4.034 -15.720 -34.228 1.00 0.00 H new ATOM 0 HB THR A 45 -6.342 -16.743 -33.998 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.881 -16.071 -35.631 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.506 -14.577 -33.801 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.851 -14.495 -33.152 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.215 -13.802 -34.750 1.00 0.00 H new ATOM 771 N ARG A 46 -3.135 -17.653 -36.082 1.00 0.00 N ATOM 772 CA ARG A 46 -2.691 -18.981 -36.487 1.00 0.00 C ATOM 773 C ARG A 46 -1.948 -19.677 -35.351 1.00 0.00 C ATOM 774 O ARG A 46 -1.885 -20.905 -35.296 1.00 0.00 O ATOM 775 CB ARG A 46 -1.788 -18.886 -37.718 1.00 0.00 C ATOM 776 CG ARG A 46 -1.586 -20.214 -38.429 1.00 0.00 C ATOM 777 CD ARG A 46 -2.727 -20.511 -39.389 1.00 0.00 C ATOM 778 NE ARG A 46 -2.277 -21.262 -40.558 1.00 0.00 N ATOM 779 CZ ARG A 46 -1.606 -20.719 -41.568 1.00 0.00 C ATOM 780 NH1 ARG A 46 -1.308 -19.427 -41.550 1.00 0.00 N ATOM 781 NH2 ARG A 46 -1.231 -21.468 -42.597 1.00 0.00 N ATOM 0 H ARG A 46 -2.490 -16.901 -36.323 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.573 -19.571 -36.736 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.217 -18.170 -38.419 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.817 -18.494 -37.416 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.644 -20.195 -38.977 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.511 -21.014 -37.693 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.500 -21.078 -38.869 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.182 -19.575 -39.713 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.490 -22.259 -40.601 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.594 -18.849 -40.760 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.793 -19.012 -42.326 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.458 -22.462 -42.614 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.716 -21.049 -43.372 1.00 0.00 H new ATOM 795 N LYS A 47 -1.387 -18.883 -34.444 1.00 0.00 N ATOM 796 CA LYS A 47 -0.649 -19.421 -33.308 1.00 0.00 C ATOM 797 C LYS A 47 -1.267 -18.962 -31.991 1.00 0.00 C ATOM 798 O LYS A 47 -2.235 -18.202 -31.981 1.00 0.00 O ATOM 799 CB LYS A 47 0.817 -18.987 -33.374 1.00 0.00 C ATOM 800 CG LYS A 47 1.749 -20.068 -33.895 1.00 0.00 C ATOM 801 CD LYS A 47 3.186 -19.579 -33.965 1.00 0.00 C ATOM 802 CE LYS A 47 3.369 -18.541 -35.061 1.00 0.00 C ATOM 803 NZ LYS A 47 3.184 -19.129 -36.417 1.00 0.00 N ATOM 0 H LYS A 47 -1.430 -17.864 -34.474 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.702 -20.509 -33.355 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.899 -18.109 -34.015 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.143 -18.687 -32.378 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.692 -20.942 -33.246 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.423 -20.385 -34.886 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.473 -19.150 -33.005 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.850 -20.424 -34.148 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.655 -17.730 -34.916 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.366 -18.106 -34.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.558 -18.474 -37.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.693 -20.034 -36.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.171 -19.290 -36.591 1.00 0.00 H new ATOM 817 N ALA A 48 -0.700 -19.428 -30.883 1.00 0.00 N ATOM 818 CA ALA A 48 -1.194 -19.062 -29.561 1.00 0.00 C ATOM 819 C ALA A 48 -0.042 -18.760 -28.609 1.00 0.00 C ATOM 820 O ALA A 48 0.781 -19.622 -28.298 1.00 0.00 O ATOM 821 CB ALA A 48 -2.069 -20.172 -28.998 1.00 0.00 C ATOM 0 H ALA A 48 0.101 -20.059 -30.874 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.794 -18.158 -29.662 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.431 -19.885 -28.011 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.918 -20.338 -29.661 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.486 -21.090 -28.918 1.00 0.00 H new ATOM 827 N PRO A 49 0.022 -17.507 -28.134 1.00 0.00 N ATOM 828 CA PRO A 49 -0.951 -16.472 -28.497 1.00 0.00 C ATOM 829 C PRO A 49 -0.814 -16.033 -29.951 1.00 0.00 C ATOM 830 O PRO A 49 0.161 -16.350 -30.632 1.00 0.00 O ATOM 831 CB PRO A 49 -0.608 -15.316 -27.555 1.00 0.00 C ATOM 832 CG PRO A 49 0.829 -15.516 -27.217 1.00 0.00 C ATOM 833 CD PRO A 49 1.049 -17.004 -27.207 1.00 0.00 C ATOM 0 HA PRO A 49 -1.977 -16.826 -28.402 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.771 -14.352 -28.036 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.231 -15.336 -26.661 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.473 -15.031 -27.950 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.066 -15.080 -26.247 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.054 -17.264 -27.541 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.927 -17.421 -26.208 1.00 0.00 H new ATOM 841 N PRO A 50 -1.814 -15.284 -30.440 1.00 0.00 N ATOM 842 CA PRO A 50 -1.827 -14.784 -31.818 1.00 0.00 C ATOM 843 C PRO A 50 -0.774 -13.707 -32.054 1.00 0.00 C ATOM 844 O PRO A 50 -0.278 -13.091 -31.111 1.00 0.00 O ATOM 845 CB PRO A 50 -3.234 -14.199 -31.970 1.00 0.00 C ATOM 846 CG PRO A 50 -3.648 -13.845 -30.583 1.00 0.00 C ATOM 847 CD PRO A 50 -3.008 -14.868 -29.686 1.00 0.00 C ATOM 0 HA PRO A 50 -1.597 -15.569 -32.538 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.231 -13.323 -32.618 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.918 -14.922 -32.415 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.320 -12.838 -30.323 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.733 -13.863 -30.483 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.744 -14.444 -28.717 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.675 -15.708 -29.495 1.00 0.00 H new ATOM 855 N LYS A 51 -0.436 -13.484 -33.320 1.00 0.00 N ATOM 856 CA LYS A 51 0.557 -12.479 -33.681 1.00 0.00 C ATOM 857 C LYS A 51 -0.116 -11.196 -34.159 1.00 0.00 C ATOM 858 O LYS A 51 -1.307 -11.187 -34.471 1.00 0.00 O ATOM 859 CB LYS A 51 1.484 -13.019 -34.773 1.00 0.00 C ATOM 860 CG LYS A 51 2.853 -13.429 -34.260 1.00 0.00 C ATOM 861 CD LYS A 51 2.938 -14.929 -34.033 1.00 0.00 C ATOM 862 CE LYS A 51 2.021 -15.374 -32.904 1.00 0.00 C ATOM 863 NZ LYS A 51 2.547 -16.578 -32.203 1.00 0.00 N ATOM 0 H LYS A 51 -0.835 -13.986 -34.113 1.00 0.00 H new ATOM 0 HA LYS A 51 1.146 -12.250 -32.793 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.011 -13.879 -35.247 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.607 -12.257 -35.543 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.617 -13.125 -34.976 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.064 -12.906 -33.327 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.669 -15.453 -34.950 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.966 -15.205 -33.799 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.904 -14.560 -32.189 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.031 -15.591 -33.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.827 -16.940 -31.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.779 -17.313 -32.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.404 -16.323 -31.671 1.00 0.00 H new ATOM 877 N PHE A 52 0.655 -10.115 -34.215 1.00 0.00 N ATOM 878 CA PHE A 52 0.134 -8.826 -34.655 1.00 0.00 C ATOM 879 C PHE A 52 1.200 -8.038 -35.411 1.00 0.00 C ATOM 880 O PHE A 52 2.390 -8.136 -35.110 1.00 0.00 O ATOM 881 CB PHE A 52 -0.362 -8.016 -33.456 1.00 0.00 C ATOM 882 CG PHE A 52 -1.170 -8.823 -32.480 1.00 0.00 C ATOM 883 CD1 PHE A 52 -0.546 -9.549 -31.478 1.00 0.00 C ATOM 884 CD2 PHE A 52 -2.552 -8.855 -32.564 1.00 0.00 C ATOM 885 CE1 PHE A 52 -1.287 -10.293 -30.579 1.00 0.00 C ATOM 886 CE2 PHE A 52 -3.299 -9.597 -31.668 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.665 -10.316 -30.674 1.00 0.00 C ATOM 0 H PHE A 52 1.643 -10.106 -33.961 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.702 -9.011 -35.329 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.496 -7.587 -32.938 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.967 -7.183 -33.815 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.531 -9.533 -31.399 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.052 -8.293 -33.339 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.789 -10.856 -29.803 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.376 -9.614 -31.745 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.246 -10.896 -29.972 1.00 0.00 H new ATOM 897 N TYR A 53 0.764 -7.256 -36.392 1.00 0.00 N ATOM 898 CA TYR A 53 1.679 -6.453 -37.193 1.00 0.00 C ATOM 899 C TYR A 53 1.872 -5.070 -36.578 1.00 0.00 C ATOM 900 O TYR A 53 0.909 -4.334 -36.363 1.00 0.00 O ATOM 901 CB TYR A 53 1.155 -6.318 -38.624 1.00 0.00 C ATOM 902 CG TYR A 53 2.238 -6.403 -39.676 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.317 -5.528 -39.663 1.00 0.00 C ATOM 904 CD2 TYR A 53 2.181 -7.357 -40.684 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.308 -5.601 -40.622 1.00 0.00 C ATOM 906 CE2 TYR A 53 3.168 -7.439 -41.647 1.00 0.00 C ATOM 907 CZ TYR A 53 4.229 -6.559 -41.612 1.00 0.00 C ATOM 908 OH TYR A 53 5.214 -6.636 -42.570 1.00 0.00 O ATOM 0 H TYR A 53 -0.218 -7.161 -36.651 1.00 0.00 H new ATOM 0 HA TYR A 53 2.644 -6.960 -37.213 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.419 -7.101 -38.808 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.637 -5.364 -38.724 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.382 -4.777 -38.889 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.351 -8.047 -40.715 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.140 -4.913 -40.597 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.109 -8.188 -42.423 1.00 0.00 H new ATOM 0 HH TYR A 53 5.009 -7.365 -43.192 1.00 0.00 H new ATOM 918 N VAL A 54 3.124 -4.724 -36.296 1.00 0.00 N ATOM 919 CA VAL A 54 3.446 -3.429 -35.707 1.00 0.00 C ATOM 920 C VAL A 54 3.830 -2.417 -36.781 1.00 0.00 C ATOM 921 O VAL A 54 4.411 -2.774 -37.806 1.00 0.00 O ATOM 922 CB VAL A 54 4.597 -3.546 -34.691 1.00 0.00 C ATOM 923 CG1 VAL A 54 4.171 -4.382 -33.494 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.833 -4.137 -35.352 1.00 0.00 C ATOM 0 H VAL A 54 3.932 -5.322 -36.466 1.00 0.00 H new ATOM 0 HA VAL A 54 2.550 -3.084 -35.191 1.00 0.00 H new ATOM 0 HB VAL A 54 4.846 -2.547 -34.335 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.998 -4.453 -32.787 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.317 -3.911 -33.007 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.893 -5.381 -33.829 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.637 -4.212 -34.619 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.600 -5.129 -35.738 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.150 -3.493 -36.173 1.00 0.00 H new ATOM 934 N HIS A 55 3.502 -1.152 -36.538 1.00 0.00 N ATOM 935 CA HIS A 55 3.814 -0.087 -37.484 1.00 0.00 C ATOM 936 C HIS A 55 4.495 1.083 -36.779 1.00 0.00 C ATOM 937 O HIS A 55 4.413 1.218 -35.558 1.00 0.00 O ATOM 938 CB HIS A 55 2.541 0.394 -38.181 1.00 0.00 C ATOM 939 CG HIS A 55 2.760 0.818 -39.601 1.00 0.00 C ATOM 940 ND1 HIS A 55 3.433 0.044 -40.523 1.00 0.00 N ATOM 941 CD2 HIS A 55 2.389 1.943 -40.256 1.00 0.00 C ATOM 942 CE1 HIS A 55 3.468 0.675 -41.683 1.00 0.00 C ATOM 943 NE2 HIS A 55 2.840 1.830 -41.548 1.00 0.00 N ATOM 0 H HIS A 55 3.021 -0.840 -35.695 1.00 0.00 H new ATOM 0 HA HIS A 55 4.499 -0.487 -38.231 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.800 -0.405 -38.159 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.124 1.231 -37.621 1.00 0.00 H new ATOM 0 HD1 HIS A 55 3.840 -0.873 -40.338 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.840 2.775 -39.840 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.931 0.309 -42.588 1.00 0.00 H new ATOM 951 N TYR A 56 5.166 1.926 -37.556 1.00 0.00 N ATOM 952 CA TYR A 56 5.864 3.082 -37.006 1.00 0.00 C ATOM 953 C TYR A 56 5.037 4.352 -37.183 1.00 0.00 C ATOM 954 O TYR A 56 4.370 4.536 -38.202 1.00 0.00 O ATOM 955 CB TYR A 56 7.227 3.250 -37.680 1.00 0.00 C ATOM 956 CG TYR A 56 7.143 3.789 -39.090 1.00 0.00 C ATOM 957 CD1 TYR A 56 6.840 2.954 -40.158 1.00 0.00 C ATOM 958 CD2 TYR A 56 7.367 5.135 -39.354 1.00 0.00 C ATOM 959 CE1 TYR A 56 6.763 3.442 -41.447 1.00 0.00 C ATOM 960 CE2 TYR A 56 7.291 5.633 -40.640 1.00 0.00 C ATOM 961 CZ TYR A 56 6.989 4.782 -41.684 1.00 0.00 C ATOM 962 OH TYR A 56 6.913 5.273 -42.967 1.00 0.00 O ATOM 0 H TYR A 56 5.241 1.830 -38.569 1.00 0.00 H new ATOM 0 HA TYR A 56 6.012 2.911 -35.940 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.840 3.922 -37.079 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.735 2.286 -37.698 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.662 1.904 -39.977 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.605 5.803 -38.539 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.527 2.778 -42.266 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.467 6.682 -40.828 1.00 0.00 H new ATOM 0 HH TYR A 56 7.098 6.235 -42.960 1.00 0.00 H new ATOM 972 N VAL A 57 5.086 5.227 -36.184 1.00 0.00 N ATOM 973 CA VAL A 57 4.344 6.481 -36.228 1.00 0.00 C ATOM 974 C VAL A 57 5.286 7.672 -36.363 1.00 0.00 C ATOM 975 O VAL A 57 4.930 8.694 -36.949 1.00 0.00 O ATOM 976 CB VAL A 57 3.478 6.665 -34.968 1.00 0.00 C ATOM 977 CG1 VAL A 57 4.356 6.868 -33.742 1.00 0.00 C ATOM 978 CG2 VAL A 57 2.520 7.834 -35.146 1.00 0.00 C ATOM 0 H VAL A 57 5.632 5.090 -35.334 1.00 0.00 H new ATOM 0 HA VAL A 57 3.695 6.434 -37.102 1.00 0.00 H new ATOM 0 HB VAL A 57 2.888 5.761 -34.818 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.727 6.996 -32.861 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.998 5.998 -33.606 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.973 7.756 -33.879 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.916 7.950 -34.246 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.089 8.747 -35.321 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.868 7.644 -35.999 1.00 0.00 H new ATOM 988 N ASN A 58 6.489 7.533 -35.818 1.00 0.00 N ATOM 989 CA ASN A 58 7.484 8.598 -35.877 1.00 0.00 C ATOM 990 C ASN A 58 8.747 8.124 -36.590 1.00 0.00 C ATOM 991 O ASN A 58 8.999 8.490 -37.738 1.00 0.00 O ATOM 992 CB ASN A 58 7.831 9.080 -34.467 1.00 0.00 C ATOM 993 CG ASN A 58 9.026 10.013 -34.453 1.00 0.00 C ATOM 994 OD1 ASN A 58 10.110 9.645 -34.001 1.00 0.00 O ATOM 995 ND2 ASN A 58 8.832 11.230 -34.949 1.00 0.00 N ATOM 0 H ASN A 58 6.799 6.693 -35.330 1.00 0.00 H new ATOM 0 HA ASN A 58 7.059 9.427 -36.442 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.969 9.591 -34.038 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.039 8.219 -33.832 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.599 11.902 -34.966 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.916 11.492 -35.313 1.00 0.00 H new ATOM 1002 N TYR A 59 9.537 7.308 -35.902 1.00 0.00 N ATOM 1003 CA TYR A 59 10.774 6.785 -36.467 1.00 0.00 C ATOM 1004 C TYR A 59 11.030 5.357 -35.993 1.00 0.00 C ATOM 1005 O TYR A 59 11.856 5.123 -35.113 1.00 0.00 O ATOM 1006 CB TYR A 59 11.954 7.680 -36.084 1.00 0.00 C ATOM 1007 CG TYR A 59 13.168 7.492 -36.964 1.00 0.00 C ATOM 1008 CD1 TYR A 59 13.222 8.049 -38.236 1.00 0.00 C ATOM 1009 CD2 TYR A 59 14.263 6.758 -36.523 1.00 0.00 C ATOM 1010 CE1 TYR A 59 14.330 7.879 -39.044 1.00 0.00 C ATOM 1011 CE2 TYR A 59 15.375 6.584 -37.324 1.00 0.00 C ATOM 1012 CZ TYR A 59 15.404 7.146 -38.583 1.00 0.00 C ATOM 1013 OH TYR A 59 16.510 6.976 -39.384 1.00 0.00 O ATOM 0 H TYR A 59 9.342 6.994 -34.951 1.00 0.00 H new ATOM 0 HA TYR A 59 10.671 6.775 -37.552 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.639 8.722 -36.132 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.231 7.478 -35.049 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.384 8.625 -38.599 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.244 6.316 -35.538 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.355 8.317 -40.031 1.00 0.00 H new ATOM 0 HE2 TYR A 59 16.217 6.011 -36.966 1.00 0.00 H new ATOM 0 HH TYR A 59 17.177 6.436 -38.910 1.00 0.00 H new ATOM 1023 N ASN A 60 10.314 4.407 -36.586 1.00 0.00 N ATOM 1024 CA ASN A 60 10.462 3.002 -36.225 1.00 0.00 C ATOM 1025 C ASN A 60 10.192 2.101 -37.426 1.00 0.00 C ATOM 1026 O ASN A 60 9.830 0.934 -37.272 1.00 0.00 O ATOM 1027 CB ASN A 60 9.511 2.644 -35.081 1.00 0.00 C ATOM 1028 CG ASN A 60 10.016 1.480 -34.251 1.00 0.00 C ATOM 1029 OD1 ASN A 60 11.170 1.070 -34.375 1.00 0.00 O ATOM 1030 ND2 ASN A 60 9.151 0.941 -33.400 1.00 0.00 N ATOM 0 H ASN A 60 9.626 4.585 -37.318 1.00 0.00 H new ATOM 0 HA ASN A 60 11.489 2.843 -35.897 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.377 3.514 -34.438 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.532 2.397 -35.490 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.433 0.154 -32.816 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.204 1.314 -33.331 1.00 0.00 H new ATOM 1037 N LYS A 61 10.371 2.650 -38.623 1.00 0.00 N ATOM 1038 CA LYS A 61 10.149 1.897 -39.852 1.00 0.00 C ATOM 1039 C LYS A 61 11.001 0.631 -39.876 1.00 0.00 C ATOM 1040 O LYS A 61 10.573 -0.406 -40.382 1.00 0.00 O ATOM 1041 CB LYS A 61 10.471 2.764 -41.071 1.00 0.00 C ATOM 1042 CG LYS A 61 11.822 3.453 -40.987 1.00 0.00 C ATOM 1043 CD LYS A 61 12.185 4.128 -42.299 1.00 0.00 C ATOM 1044 CE LYS A 61 11.251 5.289 -42.606 1.00 0.00 C ATOM 1045 NZ LYS A 61 11.865 6.259 -43.554 1.00 0.00 N ATOM 0 H LYS A 61 10.669 3.615 -38.768 1.00 0.00 H new ATOM 0 HA LYS A 61 9.099 1.608 -39.887 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.445 2.142 -41.966 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.694 3.520 -41.185 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.805 4.194 -40.188 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.589 2.723 -40.728 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.212 4.489 -42.252 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.140 3.400 -43.109 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.322 4.906 -43.029 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.992 5.801 -41.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.197 7.035 -43.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.738 6.644 -43.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.089 5.777 -44.448 1.00 0.00 H new ATOM 1059 N ARG A 62 12.206 0.724 -39.323 1.00 0.00 N ATOM 1060 CA ARG A 62 13.117 -0.413 -39.282 1.00 0.00 C ATOM 1061 C ARG A 62 12.480 -1.593 -38.552 1.00 0.00 C ATOM 1062 O ARG A 62 12.843 -2.748 -38.782 1.00 0.00 O ATOM 1063 CB ARG A 62 14.426 -0.021 -38.593 1.00 0.00 C ATOM 1064 CG ARG A 62 14.300 0.129 -37.086 1.00 0.00 C ATOM 1065 CD ARG A 62 15.207 1.230 -36.558 1.00 0.00 C ATOM 1066 NE ARG A 62 16.562 0.748 -36.304 1.00 0.00 N ATOM 1067 CZ ARG A 62 16.884 -0.031 -35.277 1.00 0.00 C ATOM 1068 NH1 ARG A 62 15.954 -0.415 -34.414 1.00 0.00 N ATOM 1069 NH2 ARG A 62 18.140 -0.429 -35.113 1.00 0.00 N ATOM 0 H ARG A 62 12.574 1.575 -38.897 1.00 0.00 H new ATOM 0 HA ARG A 62 13.330 -0.713 -40.308 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.182 -0.775 -38.813 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.781 0.919 -39.015 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.265 0.353 -36.827 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.552 -0.815 -36.603 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.242 2.047 -37.278 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.788 1.635 -35.637 1.00 0.00 H new ATOM 0 HE ARG A 62 17.301 1.024 -36.950 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.988 -0.112 -34.537 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.205 -1.013 -33.627 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.858 -0.137 -35.776 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.387 -1.027 -34.324 1.00 0.00 H new ATOM 1083 N LEU A 63 11.530 -1.295 -37.673 1.00 0.00 N ATOM 1084 CA LEU A 63 10.843 -2.331 -36.909 1.00 0.00 C ATOM 1085 C LEU A 63 9.412 -2.513 -37.404 1.00 0.00 C ATOM 1086 O LEU A 63 8.552 -3.011 -36.678 1.00 0.00 O ATOM 1087 CB LEU A 63 10.839 -1.976 -35.421 1.00 0.00 C ATOM 1088 CG LEU A 63 11.442 -3.020 -34.481 1.00 0.00 C ATOM 1089 CD1 LEU A 63 10.730 -4.355 -34.637 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.933 -3.175 -34.742 1.00 0.00 C ATOM 0 H LEU A 63 11.218 -0.345 -37.471 1.00 0.00 H new ATOM 0 HA LEU A 63 11.379 -3.269 -37.051 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.383 -1.041 -35.290 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.809 -1.792 -35.115 1.00 0.00 H new ATOM 0 HG LEU A 63 11.307 -2.678 -33.455 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.173 -5.085 -33.960 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.673 -4.234 -34.399 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.832 -4.704 -35.664 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.345 -3.922 -34.064 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.091 -3.494 -35.772 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.432 -2.220 -34.577 1.00 0.00 H new ATOM 1102 N ASP A 64 9.165 -2.108 -38.645 1.00 0.00 N ATOM 1103 CA ASP A 64 7.839 -2.229 -39.239 1.00 0.00 C ATOM 1104 C ASP A 64 7.610 -3.640 -39.774 1.00 0.00 C ATOM 1105 O ASP A 64 7.595 -3.859 -40.985 1.00 0.00 O ATOM 1106 CB ASP A 64 7.665 -1.209 -40.365 1.00 0.00 C ATOM 1107 CG ASP A 64 6.337 -1.357 -41.081 1.00 0.00 C ATOM 1108 OD1 ASP A 64 5.407 -1.945 -40.491 1.00 0.00 O ATOM 1109 OD2 ASP A 64 6.228 -0.884 -42.232 1.00 0.00 O ATOM 0 H ASP A 64 9.866 -1.693 -39.259 1.00 0.00 H new ATOM 0 HA ASP A 64 7.101 -2.030 -38.462 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.743 -0.202 -39.954 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.477 -1.324 -41.084 1.00 0.00 H new ATOM 1114 N GLU A 65 7.433 -4.591 -38.863 1.00 0.00 N ATOM 1115 CA GLU A 65 7.208 -5.981 -39.244 1.00 0.00 C ATOM 1116 C GLU A 65 6.155 -6.627 -38.348 1.00 0.00 C ATOM 1117 O GLU A 65 5.476 -5.946 -37.581 1.00 0.00 O ATOM 1118 CB GLU A 65 8.515 -6.772 -39.167 1.00 0.00 C ATOM 1119 CG GLU A 65 8.980 -7.042 -37.746 1.00 0.00 C ATOM 1120 CD GLU A 65 10.373 -7.641 -37.692 1.00 0.00 C ATOM 1121 OE1 GLU A 65 11.021 -7.730 -38.755 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.813 -8.020 -36.587 1.00 0.00 O ATOM 0 H GLU A 65 7.441 -4.425 -37.857 1.00 0.00 H new ATOM 0 HA GLU A 65 6.844 -5.995 -40.271 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.386 -7.722 -39.685 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.294 -6.224 -39.697 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.967 -6.110 -37.180 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.278 -7.720 -37.260 1.00 0.00 H new ATOM 1129 N TRP A 66 6.027 -7.944 -38.453 1.00 0.00 N ATOM 1130 CA TRP A 66 5.056 -8.683 -37.653 1.00 0.00 C ATOM 1131 C TRP A 66 5.731 -9.354 -36.461 1.00 0.00 C ATOM 1132 O TRP A 66 6.794 -9.961 -36.599 1.00 0.00 O ATOM 1133 CB TRP A 66 4.350 -9.733 -38.512 1.00 0.00 C ATOM 1134 CG TRP A 66 5.205 -10.927 -38.814 1.00 0.00 C ATOM 1135 CD1 TRP A 66 6.330 -10.955 -39.588 1.00 0.00 C ATOM 1136 CD2 TRP A 66 5.003 -12.266 -38.348 1.00 0.00 C ATOM 1137 NE1 TRP A 66 6.839 -12.230 -39.632 1.00 0.00 N ATOM 1138 CE2 TRP A 66 6.044 -13.053 -38.878 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.046 -12.875 -37.533 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 6.151 -14.417 -38.620 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 4.153 -14.229 -37.277 1.00 0.00 C ATOM 1142 CH2 TRP A 66 5.200 -14.988 -37.818 1.00 0.00 C ATOM 0 H TRP A 66 6.582 -8.522 -39.083 1.00 0.00 H new ATOM 0 HA TRP A 66 4.317 -7.975 -37.278 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.446 -10.063 -38.000 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.036 -9.274 -39.449 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.757 -10.100 -40.092 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.674 -12.518 -40.143 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.237 -12.298 -37.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 6.956 -15.004 -39.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 3.418 -14.710 -36.650 1.00 0.00 H new ATOM 0 HH2 TRP A 66 5.257 -16.044 -37.598 1.00 0.00 H new ATOM 1153 N ILE A 67 5.109 -9.240 -35.293 1.00 0.00 N ATOM 1154 CA ILE A 67 5.650 -9.837 -34.078 1.00 0.00 C ATOM 1155 C ILE A 67 4.540 -10.419 -33.211 1.00 0.00 C ATOM 1156 O ILE A 67 3.366 -10.397 -33.585 1.00 0.00 O ATOM 1157 CB ILE A 67 6.446 -8.809 -33.252 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.572 -7.595 -32.930 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.699 -8.382 -34.003 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.945 -6.909 -31.635 1.00 0.00 C ATOM 0 H ILE A 67 4.230 -8.740 -35.162 1.00 0.00 H new ATOM 0 HA ILE A 67 6.321 -10.637 -34.391 1.00 0.00 H new ATOM 0 HB ILE A 67 6.749 -9.274 -32.314 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.646 -6.877 -33.747 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.530 -7.911 -32.877 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.251 -7.655 -33.407 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.328 -9.253 -34.187 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.417 -7.931 -34.954 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.284 -6.058 -31.471 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.843 -7.612 -30.808 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.977 -6.562 -31.691 1.00 0.00 H new ATOM 1172 N THR A 68 4.917 -10.941 -32.047 1.00 0.00 N ATOM 1173 CA THR A 68 3.954 -11.529 -31.125 1.00 0.00 C ATOM 1174 C THR A 68 3.599 -10.557 -30.006 1.00 0.00 C ATOM 1175 O THR A 68 3.993 -9.390 -30.034 1.00 0.00 O ATOM 1176 CB THR A 68 4.494 -12.832 -30.505 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.548 -12.535 -29.582 1.00 0.00 O ATOM 1178 CG2 THR A 68 5.007 -13.773 -31.585 1.00 0.00 C ATOM 0 H THR A 68 5.883 -10.968 -31.721 1.00 0.00 H new ATOM 0 HA THR A 68 3.059 -11.754 -31.705 1.00 0.00 H new ATOM 0 HB THR A 68 3.677 -13.323 -29.976 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.885 -13.368 -29.191 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.383 -14.686 -31.123 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.194 -14.020 -32.268 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.811 -13.288 -32.138 1.00 0.00 H new ATOM 1186 N THR A 69 2.851 -11.043 -29.020 1.00 0.00 N ATOM 1187 CA THR A 69 2.442 -10.216 -27.892 1.00 0.00 C ATOM 1188 C THR A 69 3.541 -10.144 -26.837 1.00 0.00 C ATOM 1189 O THR A 69 3.595 -9.200 -26.048 1.00 0.00 O ATOM 1190 CB THR A 69 1.155 -10.754 -27.240 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.657 -9.808 -26.286 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.411 -12.087 -26.553 1.00 0.00 C ATOM 0 H THR A 69 2.516 -12.006 -28.980 1.00 0.00 H new ATOM 0 HA THR A 69 2.252 -9.217 -28.284 1.00 0.00 H new ATOM 0 HB THR A 69 0.413 -10.905 -28.024 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.162 -10.157 -25.877 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.487 -12.446 -26.100 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.762 -12.813 -27.287 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.168 -11.958 -25.779 1.00 0.00 H new ATOM 1200 N ASP A 70 4.414 -11.144 -26.830 1.00 0.00 N ATOM 1201 CA ASP A 70 5.513 -11.192 -25.872 1.00 0.00 C ATOM 1202 C ASP A 70 6.356 -9.923 -25.948 1.00 0.00 C ATOM 1203 O ASP A 70 7.000 -9.535 -24.974 1.00 0.00 O ATOM 1204 CB ASP A 70 6.390 -12.418 -26.132 1.00 0.00 C ATOM 1205 CG ASP A 70 7.477 -12.584 -25.088 1.00 0.00 C ATOM 1206 OD1 ASP A 70 7.195 -12.347 -23.894 1.00 0.00 O ATOM 1207 OD2 ASP A 70 8.609 -12.951 -25.464 1.00 0.00 O ATOM 0 H ASP A 70 4.383 -11.932 -27.476 1.00 0.00 H new ATOM 0 HA ASP A 70 5.088 -11.264 -24.871 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.765 -13.311 -26.147 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.847 -12.332 -27.118 1.00 0.00 H new ATOM 1212 N ARG A 71 6.348 -9.282 -27.113 1.00 0.00 N ATOM 1213 CA ARG A 71 7.114 -8.059 -27.317 1.00 0.00 C ATOM 1214 C ARG A 71 6.276 -6.830 -26.976 1.00 0.00 C ATOM 1215 O ARG A 71 6.814 -5.768 -26.659 1.00 0.00 O ATOM 1216 CB ARG A 71 7.601 -7.971 -28.764 1.00 0.00 C ATOM 1217 CG ARG A 71 8.558 -9.086 -29.153 1.00 0.00 C ATOM 1218 CD ARG A 71 9.743 -9.160 -28.203 1.00 0.00 C ATOM 1219 NE ARG A 71 10.444 -7.883 -28.102 1.00 0.00 N ATOM 1220 CZ ARG A 71 11.700 -7.765 -27.685 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.389 -8.841 -27.333 1.00 0.00 N ATOM 1222 NH2 ARG A 71 12.269 -6.568 -27.621 1.00 0.00 N ATOM 0 H ARG A 71 5.819 -9.590 -27.929 1.00 0.00 H new ATOM 0 HA ARG A 71 7.977 -8.086 -26.652 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.739 -7.994 -29.431 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.095 -7.011 -28.915 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.028 -10.039 -29.151 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.915 -8.922 -30.170 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.397 -9.463 -27.215 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.436 -9.928 -28.547 1.00 0.00 H new ATOM 0 HE ARG A 71 9.942 -7.035 -28.366 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.955 -9.763 -27.382 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.353 -8.747 -27.013 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.742 -5.738 -27.892 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.233 -6.478 -27.301 1.00 0.00 H new ATOM 1236 N ILE A 72 4.958 -6.982 -27.042 1.00 0.00 N ATOM 1237 CA ILE A 72 4.046 -5.885 -26.740 1.00 0.00 C ATOM 1238 C ILE A 72 3.491 -6.007 -25.325 1.00 0.00 C ATOM 1239 O ILE A 72 2.794 -6.967 -25.002 1.00 0.00 O ATOM 1240 CB ILE A 72 2.874 -5.837 -27.738 1.00 0.00 C ATOM 1241 CG1 ILE A 72 3.397 -5.662 -29.165 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.918 -4.709 -27.377 1.00 0.00 C ATOM 1243 CD1 ILE A 72 2.383 -6.020 -30.228 1.00 0.00 C ATOM 0 H ILE A 72 4.497 -7.854 -27.302 1.00 0.00 H new ATOM 0 HA ILE A 72 4.621 -4.963 -26.824 1.00 0.00 H new ATOM 0 HB ILE A 72 2.331 -6.780 -27.684 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.708 -4.627 -29.305 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.284 -6.282 -29.297 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.095 -4.687 -28.091 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.524 -4.873 -26.374 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.450 -3.758 -27.407 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.822 -5.872 -31.214 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.090 -7.064 -30.114 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.505 -5.383 -30.123 1.00 0.00 H new ATOM 1255 N ASN A 73 3.803 -5.024 -24.486 1.00 0.00 N ATOM 1256 CA ASN A 73 3.334 -5.020 -23.106 1.00 0.00 C ATOM 1257 C ASN A 73 1.823 -4.815 -23.045 1.00 0.00 C ATOM 1258 O ASN A 73 1.308 -3.781 -23.475 1.00 0.00 O ATOM 1259 CB ASN A 73 4.041 -3.923 -22.308 1.00 0.00 C ATOM 1260 CG ASN A 73 4.257 -4.310 -20.858 1.00 0.00 C ATOM 1261 OD1 ASN A 73 5.388 -4.330 -20.371 1.00 0.00 O ATOM 1262 ND2 ASN A 73 3.170 -4.619 -20.160 1.00 0.00 N ATOM 0 H ASN A 73 4.378 -4.221 -24.738 1.00 0.00 H new ATOM 0 HA ASN A 73 3.569 -5.989 -22.666 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.004 -3.705 -22.770 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.451 -3.008 -22.353 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.253 -4.886 -19.179 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.253 -4.589 -20.605 1.00 0.00 H new ATOM 1269 N LEU A 74 1.118 -5.805 -22.509 1.00 0.00 N ATOM 1270 CA LEU A 74 -0.334 -5.733 -22.391 1.00 0.00 C ATOM 1271 C LEU A 74 -0.742 -4.863 -21.207 1.00 0.00 C ATOM 1272 O LEU A 74 -1.426 -5.322 -20.292 1.00 0.00 O ATOM 1273 CB LEU A 74 -0.922 -7.136 -22.233 1.00 0.00 C ATOM 1274 CG LEU A 74 -2.322 -7.346 -22.812 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -3.278 -6.282 -22.298 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -2.277 -7.335 -24.333 1.00 0.00 C ATOM 0 H LEU A 74 1.528 -6.667 -22.149 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.726 -5.281 -23.302 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.245 -7.847 -22.705 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.950 -7.379 -21.171 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.686 -8.320 -22.486 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.269 -6.448 -22.721 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.334 -6.337 -21.211 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.918 -5.296 -22.593 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.282 -7.486 -24.728 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.891 -6.376 -24.679 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.626 -8.136 -24.684 1.00 0.00 H new