USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 56 MET CE :methyl -170:sc= -2.57! (180deg=-0.102) USER MOD Set 1.2: A 69 TYR OH : rot 56:sc= -2.83! USER MOD Set 2.1: A 43 GLN : amide:sc= 0.0439 K(o=0.019,f=0.9) USER MOD Set 2.2: A 48 THR OG1 : rot -30:sc= -0.0245 USER MOD Single : A 15 THR OG1 : rot 68:sc= 1.45 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.5!) USER MOD Single : A 20 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.13) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= -0.803 (180deg=-0.926) USER MOD Single : A 25 GLN : amide:sc= -3.77! K(o=-3.8!,f=-0.66) USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= -0.105 (180deg=-0.781) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0616 USER MOD Single : A 40 HIS : no HD1:sc= -3.55! C(o=-3.6!,f=-4.3!) USER MOD Single : A 44 SER OG : rot 150:sc= -0.91 USER MOD Single : A 47 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-0.86) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -96:sc= 0.053 USER MOD Single : A 57 ASN : amide:sc= -6.61! C(o=-6.6!,f=-9.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -18.3! C(o=-18!,f=-15!) USER MOD Single : A 61 ASN : amide:sc= -2.64! K(o=-2.6!,f=-0.6) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.0371 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0607 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.386 (180deg=-1.52!) USER MOD Single : A 73 TYR OH : rot -61:sc= -3.23! USER MOD Single : A 77 TYR OH : rot -165:sc= -3.06 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.8) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.75 K(o=-3.8,f=-4.6!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 58:sc= 0.671 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 -0.503 -1.064 -3.468 1.00 0.00 N ATOM 174 CA VAL A 13 -0.215 -2.367 -4.078 1.00 0.00 C ATOM 175 C VAL A 13 0.428 -2.234 -5.436 1.00 0.00 C ATOM 176 O VAL A 13 -0.119 -1.632 -6.339 1.00 0.00 O ATOM 177 CB VAL A 13 -1.547 -3.108 -4.236 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.448 -2.323 -5.198 1.00 0.00 C ATOM 179 CG2 VAL A 13 -1.282 -4.504 -4.805 1.00 0.00 C ATOM 0 HA VAL A 13 0.483 -2.905 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.039 -3.198 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.398 -2.845 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.629 -1.326 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.958 -2.239 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.227 -5.036 -4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.796 -4.415 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.634 -5.057 -4.125 1.00 0.00 H new ATOM 189 N ASP A 14 1.592 -2.806 -5.556 1.00 0.00 N ATOM 190 CA ASP A 14 2.295 -2.740 -6.841 1.00 0.00 C ATOM 191 C ASP A 14 1.825 -3.912 -7.656 1.00 0.00 C ATOM 192 O ASP A 14 1.609 -4.981 -7.114 1.00 0.00 O ATOM 193 CB ASP A 14 3.810 -2.863 -6.594 1.00 0.00 C ATOM 194 CG ASP A 14 4.313 -1.604 -5.884 1.00 0.00 C ATOM 195 OD1 ASP A 14 3.848 -0.544 -6.270 1.00 0.00 O ATOM 196 OD2 ASP A 14 5.133 -1.773 -4.999 1.00 0.00 O ATOM 0 H ASP A 14 2.077 -3.313 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 14 2.096 -1.800 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.020 -3.744 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.334 -2.994 -7.540 1.00 0.00 H new ATOM 201 N THR A 15 1.660 -3.720 -8.928 1.00 0.00 N ATOM 202 CA THR A 15 1.193 -4.844 -9.748 1.00 0.00 C ATOM 203 C THR A 15 1.798 -4.818 -11.143 1.00 0.00 C ATOM 204 O THR A 15 1.271 -4.209 -12.049 1.00 0.00 O ATOM 205 CB THR A 15 -0.339 -4.737 -9.827 1.00 0.00 C ATOM 206 OG1 THR A 15 -0.611 -3.668 -10.711 1.00 0.00 O ATOM 207 CG2 THR A 15 -0.907 -4.266 -8.470 1.00 0.00 C ATOM 0 H THR A 15 1.827 -2.844 -9.424 1.00 0.00 H new ATOM 0 HA THR A 15 1.503 -5.786 -9.295 1.00 0.00 H new ATOM 0 HB THR A 15 -0.761 -5.698 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.340 -3.917 -11.619 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.993 -4.193 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.638 -4.983 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.492 -3.289 -8.221 1.00 0.00 H new ATOM 215 N ALA A 16 2.917 -5.476 -11.271 1.00 0.00 N ATOM 216 CA ALA A 16 3.604 -5.528 -12.587 1.00 0.00 C ATOM 217 C ALA A 16 3.667 -6.968 -13.071 1.00 0.00 C ATOM 218 O ALA A 16 4.622 -7.676 -12.817 1.00 0.00 O ATOM 219 CB ALA A 16 5.033 -4.994 -12.408 1.00 0.00 C ATOM 0 H ALA A 16 3.384 -5.980 -10.518 1.00 0.00 H new ATOM 0 HA ALA A 16 3.061 -4.926 -13.316 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.555 -5.024 -13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.995 -3.966 -12.047 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.565 -5.613 -11.685 1.00 0.00 H new ATOM 225 N ILE A 17 2.635 -7.372 -13.762 1.00 0.00 N ATOM 226 CA ILE A 17 2.580 -8.748 -14.282 1.00 0.00 C ATOM 227 C ILE A 17 2.019 -8.751 -15.696 1.00 0.00 C ATOM 228 O ILE A 17 2.684 -8.386 -16.644 1.00 0.00 O ATOM 229 CB ILE A 17 1.621 -9.540 -13.399 1.00 0.00 C ATOM 230 CG1 ILE A 17 0.347 -8.712 -13.134 1.00 0.00 C ATOM 231 CG2 ILE A 17 2.315 -9.868 -12.060 1.00 0.00 C ATOM 232 CD1 ILE A 17 0.491 -7.877 -11.852 1.00 0.00 C ATOM 0 H ILE A 17 1.825 -6.794 -13.985 1.00 0.00 H new ATOM 0 HA ILE A 17 3.581 -9.179 -14.285 1.00 0.00 H new ATOM 0 HB ILE A 17 1.344 -10.465 -13.904 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.154 -8.054 -13.981 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.512 -9.377 -13.045 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.633 -10.434 -11.426 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.210 -10.460 -12.250 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.593 -8.941 -11.558 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.421 -7.302 -11.688 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.660 -8.540 -11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.336 -7.196 -11.954 1.00 0.00 H new ATOM 244 N TYR A 18 0.796 -9.173 -15.790 1.00 0.00 N ATOM 245 CA TYR A 18 0.110 -9.231 -17.098 1.00 0.00 C ATOM 246 C TYR A 18 0.235 -7.901 -17.842 1.00 0.00 C ATOM 247 O TYR A 18 -0.279 -7.757 -18.931 1.00 0.00 O ATOM 248 CB TYR A 18 -1.366 -9.521 -16.843 1.00 0.00 C ATOM 249 CG TYR A 18 -1.511 -10.648 -15.807 1.00 0.00 C ATOM 250 CD1 TYR A 18 -0.472 -11.529 -15.554 1.00 0.00 C ATOM 251 CD2 TYR A 18 -2.690 -10.794 -15.107 1.00 0.00 C ATOM 252 CE1 TYR A 18 -0.618 -12.532 -14.618 1.00 0.00 C ATOM 253 CE2 TYR A 18 -2.833 -11.797 -14.171 1.00 0.00 C ATOM 254 CZ TYR A 18 -1.798 -12.673 -13.920 1.00 0.00 C ATOM 255 OH TYR A 18 -1.941 -13.678 -12.985 1.00 0.00 O ATOM 0 H TYR A 18 0.233 -9.486 -14.999 1.00 0.00 H new ATOM 0 HA TYR A 18 0.566 -10.009 -17.710 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.865 -8.621 -16.485 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.855 -9.807 -17.774 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.459 -11.430 -16.093 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.510 -10.116 -15.294 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.199 -13.213 -14.431 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.763 -11.897 -13.631 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.835 -13.630 -12.588 1.00 0.00 H new ATOM 265 N HIS A 19 0.840 -6.934 -17.179 1.00 0.00 N ATOM 266 CA HIS A 19 1.036 -5.568 -17.784 1.00 0.00 C ATOM 267 C HIS A 19 1.332 -5.599 -19.281 1.00 0.00 C ATOM 268 O HIS A 19 1.393 -4.559 -19.902 1.00 0.00 O ATOM 269 CB HIS A 19 2.220 -4.895 -17.075 1.00 0.00 C ATOM 270 CG HIS A 19 2.263 -3.410 -17.458 1.00 0.00 C ATOM 271 ND1 HIS A 19 1.311 -2.772 -17.958 1.00 0.00 N ATOM 272 CD2 HIS A 19 3.297 -2.500 -17.346 1.00 0.00 C ATOM 273 CE1 HIS A 19 1.625 -1.562 -18.175 1.00 0.00 C ATOM 274 NE2 HIS A 19 2.880 -1.291 -17.817 1.00 0.00 N ATOM 0 H HIS A 19 1.210 -7.035 -16.234 1.00 0.00 H new ATOM 0 HA HIS A 19 0.102 -5.022 -17.653 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.120 -5.001 -15.995 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.153 -5.383 -17.358 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.278 -2.713 -16.949 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.951 -0.834 -18.602 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.393 -0.411 -17.879 1.00 0.00 H new ATOM 282 N HIS A 20 1.540 -6.773 -19.821 1.00 0.00 N ATOM 283 CA HIS A 20 1.831 -6.880 -21.276 1.00 0.00 C ATOM 284 C HIS A 20 1.097 -5.793 -22.061 1.00 0.00 C ATOM 285 O HIS A 20 1.708 -4.855 -22.535 1.00 0.00 O ATOM 286 CB HIS A 20 1.307 -8.248 -21.734 1.00 0.00 C ATOM 287 CG HIS A 20 2.092 -9.350 -21.022 1.00 0.00 C ATOM 288 ND1 HIS A 20 1.746 -10.548 -20.961 1.00 0.00 N ATOM 289 CD2 HIS A 20 3.279 -9.273 -20.320 1.00 0.00 C ATOM 290 CE1 HIS A 20 2.577 -11.238 -20.298 1.00 0.00 C ATOM 291 NE2 HIS A 20 3.597 -10.508 -19.845 1.00 0.00 N ATOM 0 H HIS A 20 1.520 -7.659 -19.315 1.00 0.00 H new ATOM 0 HA HIS A 20 2.901 -6.766 -21.451 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.244 -8.338 -21.509 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.413 -8.349 -22.814 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.862 -8.376 -20.172 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.471 -12.298 -20.120 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.402 -10.798 -19.290 1.00 0.00 H new ATOM 299 N LYS A 21 -0.199 -5.934 -22.184 1.00 0.00 N ATOM 300 CA LYS A 21 -0.975 -4.907 -22.932 1.00 0.00 C ATOM 301 C LYS A 21 -1.606 -3.922 -21.954 1.00 0.00 C ATOM 302 O LYS A 21 -1.185 -2.789 -21.839 1.00 0.00 O ATOM 303 CB LYS A 21 -2.096 -5.610 -23.707 1.00 0.00 C ATOM 304 CG LYS A 21 -1.487 -6.654 -24.642 1.00 0.00 C ATOM 305 CD LYS A 21 -2.604 -7.286 -25.476 1.00 0.00 C ATOM 306 CE LYS A 21 -2.002 -8.338 -26.407 1.00 0.00 C ATOM 307 NZ LYS A 21 -0.523 -8.179 -26.487 1.00 0.00 N ATOM 0 H LYS A 21 -0.745 -6.707 -21.803 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.311 -4.372 -23.612 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.789 -6.086 -23.014 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.669 -4.882 -24.281 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.747 -6.190 -25.294 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.968 -7.420 -24.065 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.347 -7.743 -24.823 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.118 -6.520 -26.057 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.247 -9.336 -26.044 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.438 -8.244 -27.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.132 -8.891 -27.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.295 -7.227 -26.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.108 -8.308 -25.542 1.00 0.00 H new ATOM 321 N LEU A 22 -2.617 -4.392 -21.272 1.00 0.00 N ATOM 322 CA LEU A 22 -3.315 -3.535 -20.286 1.00 0.00 C ATOM 323 C LEU A 22 -3.949 -4.403 -19.203 1.00 0.00 C ATOM 324 O LEU A 22 -4.673 -3.921 -18.348 1.00 0.00 O ATOM 325 CB LEU A 22 -4.419 -2.740 -21.013 1.00 0.00 C ATOM 326 CG LEU A 22 -5.574 -3.676 -21.386 1.00 0.00 C ATOM 327 CD1 LEU A 22 -6.663 -2.860 -22.084 1.00 0.00 C ATOM 328 CD2 LEU A 22 -5.064 -4.757 -22.341 1.00 0.00 C ATOM 0 H LEU A 22 -2.987 -5.339 -21.360 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.602 -2.852 -19.824 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.783 -1.936 -20.373 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.013 -2.273 -21.910 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.976 -4.145 -20.488 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.491 -3.515 -22.355 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.021 -2.081 -21.411 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.254 -2.402 -22.984 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.884 -5.424 -22.607 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.669 -4.289 -23.243 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.275 -5.330 -21.854 1.00 0.00 H new ATOM 340 N ARG A 23 -3.647 -5.672 -19.255 1.00 0.00 N ATOM 341 CA ARG A 23 -4.206 -6.602 -18.262 1.00 0.00 C ATOM 342 C ARG A 23 -3.848 -6.179 -16.859 1.00 0.00 C ATOM 343 O ARG A 23 -4.596 -6.419 -15.932 1.00 0.00 O ATOM 344 CB ARG A 23 -3.632 -7.998 -18.539 1.00 0.00 C ATOM 345 CG ARG A 23 -4.513 -8.718 -19.555 1.00 0.00 C ATOM 346 CD ARG A 23 -4.089 -10.188 -19.619 1.00 0.00 C ATOM 347 NE ARG A 23 -4.750 -10.833 -20.784 1.00 0.00 N ATOM 348 CZ ARG A 23 -6.043 -10.994 -20.780 1.00 0.00 C ATOM 349 NH1 ARG A 23 -6.723 -10.619 -19.731 1.00 0.00 N ATOM 350 NH2 ARG A 23 -6.612 -11.533 -21.821 1.00 0.00 N ATOM 0 H ARG A 23 -3.033 -6.096 -19.950 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.293 -6.605 -18.344 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.614 -7.915 -18.919 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.582 -8.572 -17.614 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.562 -8.639 -19.268 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.415 -8.254 -20.536 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.006 -10.263 -19.712 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.367 -10.700 -18.698 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.196 -11.147 -21.580 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.242 -10.207 -18.932 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.736 -10.738 -19.711 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.046 -11.820 -22.620 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.623 -11.668 -21.837 1.00 0.00 H new ATOM 364 N ASP A 24 -2.712 -5.560 -16.704 1.00 0.00 N ATOM 365 CA ASP A 24 -2.339 -5.134 -15.349 1.00 0.00 C ATOM 366 C ASP A 24 -3.204 -3.967 -14.924 1.00 0.00 C ATOM 367 O ASP A 24 -3.469 -3.776 -13.752 1.00 0.00 O ATOM 368 CB ASP A 24 -0.873 -4.696 -15.325 1.00 0.00 C ATOM 369 CG ASP A 24 -0.527 -4.205 -13.926 1.00 0.00 C ATOM 370 OD1 ASP A 24 -0.825 -4.948 -13.004 1.00 0.00 O ATOM 371 OD2 ASP A 24 0.013 -3.112 -13.853 1.00 0.00 O ATOM 0 H ASP A 24 -2.046 -5.339 -17.444 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.484 -5.971 -14.666 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.226 -5.528 -15.603 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.704 -3.904 -16.055 1.00 0.00 H new ATOM 376 N GLN A 25 -3.632 -3.201 -15.893 1.00 0.00 N ATOM 377 CA GLN A 25 -4.485 -2.040 -15.570 1.00 0.00 C ATOM 378 C GLN A 25 -5.766 -2.550 -15.009 1.00 0.00 C ATOM 379 O GLN A 25 -6.431 -1.883 -14.253 1.00 0.00 O ATOM 380 CB GLN A 25 -4.771 -1.250 -16.856 1.00 0.00 C ATOM 381 CG GLN A 25 -3.505 -1.201 -17.710 1.00 0.00 C ATOM 382 CD GLN A 25 -2.442 -0.360 -17.003 1.00 0.00 C ATOM 383 OE1 GLN A 25 -1.323 -0.244 -17.461 1.00 0.00 O ATOM 384 NE2 GLN A 25 -2.748 0.246 -15.890 1.00 0.00 N ATOM 0 H GLN A 25 -3.426 -3.334 -16.883 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.988 -1.389 -14.851 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.581 -1.720 -17.413 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.098 -0.239 -16.611 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.130 -2.210 -17.881 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.730 -0.774 -18.688 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.686 0.153 -15.500 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.050 0.813 -15.409 1.00 0.00 H new ATOM 393 N VAL A 26 -6.106 -3.737 -15.411 1.00 0.00 N ATOM 394 CA VAL A 26 -7.345 -4.331 -14.911 1.00 0.00 C ATOM 395 C VAL A 26 -7.122 -4.765 -13.487 1.00 0.00 C ATOM 396 O VAL A 26 -7.800 -4.339 -12.585 1.00 0.00 O ATOM 397 CB VAL A 26 -7.681 -5.562 -15.761 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.105 -6.019 -15.443 1.00 0.00 C ATOM 399 CG2 VAL A 26 -7.585 -5.195 -17.241 1.00 0.00 C ATOM 0 H VAL A 26 -5.573 -4.312 -16.063 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.161 -3.611 -14.963 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.980 -6.366 -15.538 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.349 -6.894 -16.045 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.178 -6.274 -14.386 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.805 -5.215 -15.671 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.823 -6.068 -17.849 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.290 -4.394 -17.464 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.573 -4.860 -17.468 1.00 0.00 H new ATOM 409 N LEU A 27 -6.155 -5.605 -13.318 1.00 0.00 N ATOM 410 CA LEU A 27 -5.837 -6.099 -11.979 1.00 0.00 C ATOM 411 C LEU A 27 -5.734 -4.943 -10.994 1.00 0.00 C ATOM 412 O LEU A 27 -5.977 -5.106 -9.809 1.00 0.00 O ATOM 413 CB LEU A 27 -4.455 -6.799 -12.087 1.00 0.00 C ATOM 414 CG LEU A 27 -4.528 -8.258 -11.610 1.00 0.00 C ATOM 415 CD1 LEU A 27 -3.894 -9.163 -12.672 1.00 0.00 C ATOM 416 CD2 LEU A 27 -3.732 -8.400 -10.306 1.00 0.00 C ATOM 0 H LEU A 27 -5.567 -5.972 -14.066 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.613 -6.777 -11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.110 -6.769 -13.120 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.722 -6.256 -11.490 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.568 -8.541 -11.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.942 -10.201 -12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.436 -9.056 -13.612 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.853 -8.877 -12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.779 -9.433 -9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.692 -8.124 -10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.158 -7.744 -9.547 1.00 0.00 H new ATOM 428 N LYS A 28 -5.403 -3.788 -11.499 1.00 0.00 N ATOM 429 CA LYS A 28 -5.282 -2.616 -10.595 1.00 0.00 C ATOM 430 C LYS A 28 -6.591 -1.886 -10.528 1.00 0.00 C ATOM 431 O LYS A 28 -7.042 -1.504 -9.466 1.00 0.00 O ATOM 432 CB LYS A 28 -4.203 -1.669 -11.148 1.00 0.00 C ATOM 433 CG LYS A 28 -3.388 -1.106 -9.979 1.00 0.00 C ATOM 434 CD LYS A 28 -4.259 -0.130 -9.182 1.00 0.00 C ATOM 435 CE LYS A 28 -3.372 0.666 -8.223 1.00 0.00 C ATOM 436 NZ LYS A 28 -2.426 1.530 -8.984 1.00 0.00 N ATOM 0 H LYS A 28 -5.214 -3.608 -12.485 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.009 -2.955 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.551 -2.203 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.666 -0.858 -11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.046 -1.916 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.499 -0.598 -10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.782 0.546 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.021 -0.675 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.992 1.281 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.815 -0.017 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.171 2.357 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.568 0.989 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.878 1.848 -9.865 1.00 0.00 H new ATOM 450 N ALA A 29 -7.190 -1.700 -11.657 1.00 0.00 N ATOM 451 CA ALA A 29 -8.476 -0.995 -11.659 1.00 0.00 C ATOM 452 C ALA A 29 -9.494 -1.791 -10.875 1.00 0.00 C ATOM 453 O ALA A 29 -10.459 -1.255 -10.391 1.00 0.00 O ATOM 454 CB ALA A 29 -8.971 -0.857 -13.104 1.00 0.00 C ATOM 0 H ALA A 29 -6.846 -2.003 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.348 -0.012 -11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.927 -0.334 -13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.243 -0.292 -13.686 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.096 -1.847 -13.542 1.00 0.00 H new ATOM 460 N LEU A 30 -9.248 -3.066 -10.743 1.00 0.00 N ATOM 461 CA LEU A 30 -10.194 -3.900 -9.994 1.00 0.00 C ATOM 462 C LEU A 30 -9.913 -3.822 -8.514 1.00 0.00 C ATOM 463 O LEU A 30 -10.793 -3.544 -7.722 1.00 0.00 O ATOM 464 CB LEU A 30 -10.013 -5.346 -10.458 1.00 0.00 C ATOM 465 CG LEU A 30 -10.438 -5.456 -11.920 1.00 0.00 C ATOM 466 CD1 LEU A 30 -9.784 -6.696 -12.524 1.00 0.00 C ATOM 467 CD2 LEU A 30 -11.963 -5.581 -12.002 1.00 0.00 C ATOM 0 H LEU A 30 -8.436 -3.552 -11.123 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.211 -3.552 -10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.972 -5.650 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.610 -6.017 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.126 -4.568 -12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.078 -6.790 -13.570 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.700 -6.604 -12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.107 -7.581 -11.976 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.266 -5.659 -13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.285 -6.472 -11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.425 -4.700 -11.555 1.00 0.00 H new ATOM 479 N TYR A 31 -8.684 -4.039 -8.165 1.00 0.00 N ATOM 480 CA TYR A 31 -8.322 -3.987 -6.738 1.00 0.00 C ATOM 481 C TYR A 31 -8.610 -2.621 -6.105 1.00 0.00 C ATOM 482 O TYR A 31 -9.159 -2.543 -5.021 1.00 0.00 O ATOM 483 CB TYR A 31 -6.820 -4.282 -6.612 1.00 0.00 C ATOM 484 CG TYR A 31 -6.365 -3.941 -5.197 1.00 0.00 C ATOM 485 CD1 TYR A 31 -6.113 -2.635 -4.841 1.00 0.00 C ATOM 486 CD2 TYR A 31 -6.206 -4.934 -4.256 1.00 0.00 C ATOM 487 CE1 TYR A 31 -5.712 -2.324 -3.562 1.00 0.00 C ATOM 488 CE2 TYR A 31 -5.805 -4.625 -2.975 1.00 0.00 C ATOM 489 CZ TYR A 31 -5.553 -3.317 -2.616 1.00 0.00 C ATOM 490 OH TYR A 31 -5.150 -3.004 -1.333 1.00 0.00 O ATOM 0 H TYR A 31 -7.919 -4.249 -8.806 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.927 -4.725 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.623 -5.332 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.259 -3.696 -7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.231 -1.848 -5.572 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.397 -5.962 -4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.520 -1.295 -3.296 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.687 -5.413 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.091 -3.824 -0.799 1.00 0.00 H new ATOM 500 N ASP A 32 -8.249 -1.573 -6.786 1.00 0.00 N ATOM 501 CA ASP A 32 -8.500 -0.214 -6.218 1.00 0.00 C ATOM 502 C ASP A 32 -9.956 0.239 -6.345 1.00 0.00 C ATOM 503 O ASP A 32 -10.450 0.939 -5.487 1.00 0.00 O ATOM 504 CB ASP A 32 -7.605 0.788 -6.955 1.00 0.00 C ATOM 505 CG ASP A 32 -7.442 2.045 -6.098 1.00 0.00 C ATOM 506 OD1 ASP A 32 -8.463 2.509 -5.615 1.00 0.00 O ATOM 507 OD2 ASP A 32 -6.307 2.473 -5.974 1.00 0.00 O ATOM 0 H ASP A 32 -7.797 -1.592 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.275 -0.260 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.631 0.343 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.044 1.045 -7.919 1.00 0.00 H new ATOM 512 N VAL A 33 -10.626 -0.150 -7.390 1.00 0.00 N ATOM 513 CA VAL A 33 -12.040 0.289 -7.517 1.00 0.00 C ATOM 514 C VAL A 33 -12.966 -0.600 -6.707 1.00 0.00 C ATOM 515 O VAL A 33 -14.032 -0.179 -6.303 1.00 0.00 O ATOM 516 CB VAL A 33 -12.459 0.228 -8.988 1.00 0.00 C ATOM 517 CG1 VAL A 33 -13.866 0.803 -9.124 1.00 0.00 C ATOM 518 CG2 VAL A 33 -11.493 1.071 -9.824 1.00 0.00 C ATOM 0 H VAL A 33 -10.269 -0.737 -8.144 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.115 1.308 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.441 -0.805 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.175 0.765 -10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.558 0.218 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.871 1.838 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.788 1.030 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.520 2.105 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.482 0.679 -9.716 1.00 0.00 H new ATOM 528 N LEU A 34 -12.552 -1.812 -6.469 1.00 0.00 N ATOM 529 CA LEU A 34 -13.421 -2.713 -5.686 1.00 0.00 C ATOM 530 C LEU A 34 -13.180 -2.531 -4.194 1.00 0.00 C ATOM 531 O LEU A 34 -14.029 -2.851 -3.390 1.00 0.00 O ATOM 532 CB LEU A 34 -13.113 -4.176 -6.069 1.00 0.00 C ATOM 533 CG LEU A 34 -13.464 -4.410 -7.542 1.00 0.00 C ATOM 534 CD1 LEU A 34 -12.708 -5.645 -8.059 1.00 0.00 C ATOM 535 CD2 LEU A 34 -14.973 -4.661 -7.667 1.00 0.00 C ATOM 0 H LEU A 34 -11.664 -2.207 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.461 -2.473 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.059 -4.392 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.685 -4.855 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.182 -3.534 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.957 -5.812 -9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.635 -5.481 -7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.995 -6.519 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.229 -4.828 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.245 -5.540 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.518 -3.794 -7.294 1.00 0.00 H new ATOM 547 N ALA A 35 -12.023 -2.025 -3.849 1.00 0.00 N ATOM 548 CA ALA A 35 -11.719 -1.820 -2.408 1.00 0.00 C ATOM 549 C ALA A 35 -12.031 -0.389 -1.964 1.00 0.00 C ATOM 550 O ALA A 35 -12.412 -0.160 -0.834 1.00 0.00 O ATOM 551 CB ALA A 35 -10.225 -2.090 -2.189 1.00 0.00 C ATOM 0 H ALA A 35 -11.286 -1.749 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.338 -2.499 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.979 -1.945 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.994 -3.115 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.638 -1.401 -2.797 1.00 0.00 H new ATOM 557 N LYS A 36 -11.860 0.548 -2.858 1.00 0.00 N ATOM 558 CA LYS A 36 -12.144 1.965 -2.487 1.00 0.00 C ATOM 559 C LYS A 36 -13.642 2.268 -2.450 1.00 0.00 C ATOM 560 O LYS A 36 -14.216 2.456 -1.395 1.00 0.00 O ATOM 561 CB LYS A 36 -11.495 2.877 -3.538 1.00 0.00 C ATOM 562 CG LYS A 36 -11.909 4.325 -3.267 1.00 0.00 C ATOM 563 CD LYS A 36 -11.156 5.250 -4.225 1.00 0.00 C ATOM 564 CE LYS A 36 -12.019 5.505 -5.464 1.00 0.00 C ATOM 565 NZ LYS A 36 -12.761 6.791 -5.328 1.00 0.00 N ATOM 0 H LYS A 36 -11.541 0.398 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.741 2.138 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.410 2.782 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.806 2.578 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.985 4.440 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.687 4.592 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.922 6.193 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.207 4.798 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.389 5.534 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.724 4.684 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.341 6.948 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.376 6.750 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.084 7.573 -5.222 1.00 0.00 H new ATOM 579 N GLU A 37 -14.244 2.306 -3.601 1.00 0.00 N ATOM 580 CA GLU A 37 -15.703 2.598 -3.664 1.00 0.00 C ATOM 581 C GLU A 37 -16.509 1.747 -2.684 1.00 0.00 C ATOM 582 O GLU A 37 -17.021 2.248 -1.701 1.00 0.00 O ATOM 583 CB GLU A 37 -16.189 2.302 -5.092 1.00 0.00 C ATOM 584 CG GLU A 37 -16.160 3.597 -5.909 1.00 0.00 C ATOM 585 CD GLU A 37 -16.566 3.299 -7.353 1.00 0.00 C ATOM 586 OE1 GLU A 37 -17.390 2.414 -7.514 1.00 0.00 O ATOM 587 OE2 GLU A 37 -16.028 3.973 -8.215 1.00 0.00 O ATOM 0 H GLU A 37 -13.792 2.148 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.853 3.643 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.553 1.549 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.200 1.895 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.839 4.330 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.161 4.033 -5.884 1.00 0.00 H new ATOM 594 N SER A 38 -16.602 0.477 -2.971 1.00 0.00 N ATOM 595 CA SER A 38 -17.373 -0.437 -2.078 1.00 0.00 C ATOM 596 C SER A 38 -16.440 -1.347 -1.281 1.00 0.00 C ATOM 597 O SER A 38 -15.892 -2.281 -1.810 1.00 0.00 O ATOM 598 CB SER A 38 -18.268 -1.299 -2.975 1.00 0.00 C ATOM 599 OG SER A 38 -17.789 -1.040 -4.288 1.00 0.00 O ATOM 0 H SER A 38 -16.178 0.032 -3.785 1.00 0.00 H new ATOM 0 HA SER A 38 -17.956 0.149 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 38 -18.187 -2.356 -2.722 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.318 -1.026 -2.872 1.00 0.00 H new ATOM 0 HG SER A 38 -18.311 -1.559 -4.935 1.00 0.00 H new ATOM 605 N GLU A 39 -16.286 -1.050 -0.015 1.00 0.00 N ATOM 606 CA GLU A 39 -15.389 -1.887 0.837 1.00 0.00 C ATOM 607 C GLU A 39 -16.147 -2.956 1.654 1.00 0.00 C ATOM 608 O GLU A 39 -15.538 -3.881 2.155 1.00 0.00 O ATOM 609 CB GLU A 39 -14.661 -0.947 1.820 1.00 0.00 C ATOM 610 CG GLU A 39 -15.149 0.488 1.599 1.00 0.00 C ATOM 611 CD GLU A 39 -14.423 1.427 2.567 1.00 0.00 C ATOM 612 OE1 GLU A 39 -13.282 1.738 2.266 1.00 0.00 O ATOM 613 OE2 GLU A 39 -15.051 1.781 3.552 1.00 0.00 O ATOM 0 H GLU A 39 -16.739 -0.270 0.462 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.702 -2.416 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.854 -1.255 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.583 -1.005 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.961 0.793 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.226 0.546 1.757 1.00 0.00 H new ATOM 620 N HIS A 40 -17.450 -2.819 1.774 1.00 0.00 N ATOM 621 CA HIS A 40 -18.222 -3.838 2.569 1.00 0.00 C ATOM 622 C HIS A 40 -18.847 -4.971 1.713 1.00 0.00 C ATOM 623 O HIS A 40 -18.721 -6.135 2.043 1.00 0.00 O ATOM 624 CB HIS A 40 -19.353 -3.111 3.325 1.00 0.00 C ATOM 625 CG HIS A 40 -19.265 -1.599 3.067 1.00 0.00 C ATOM 626 ND1 HIS A 40 -20.098 -0.934 2.413 1.00 0.00 N ATOM 627 CD2 HIS A 40 -18.311 -0.688 3.479 1.00 0.00 C ATOM 628 CE1 HIS A 40 -19.778 0.291 2.363 1.00 0.00 C ATOM 629 NE2 HIS A 40 -18.646 0.549 3.018 1.00 0.00 N ATOM 0 H HIS A 40 -18.003 -2.065 1.367 1.00 0.00 H new ATOM 0 HA HIS A 40 -17.510 -4.315 3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -20.322 -3.489 2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -19.276 -3.312 4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -17.439 -0.920 4.072 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -20.358 1.042 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -18.160 1.437 3.141 1.00 0.00 H new ATOM 637 N PRO A 41 -19.512 -4.605 0.630 1.00 0.00 N ATOM 638 CA PRO A 41 -20.152 -5.590 -0.257 1.00 0.00 C ATOM 639 C PRO A 41 -19.198 -6.669 -0.831 1.00 0.00 C ATOM 640 O PRO A 41 -19.552 -7.831 -0.879 1.00 0.00 O ATOM 641 CB PRO A 41 -20.742 -4.755 -1.409 1.00 0.00 C ATOM 642 CG PRO A 41 -20.569 -3.256 -1.030 1.00 0.00 C ATOM 643 CD PRO A 41 -19.681 -3.202 0.223 1.00 0.00 C ATOM 0 HA PRO A 41 -20.888 -6.159 0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -20.230 -4.976 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -21.795 -4.995 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -20.111 -2.703 -1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -21.537 -2.794 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -18.720 -2.735 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -20.149 -2.615 1.013 1.00 0.00 H new ATOM 651 N PRO A 42 -18.012 -6.275 -1.258 1.00 0.00 N ATOM 652 CA PRO A 42 -17.058 -7.231 -1.817 1.00 0.00 C ATOM 653 C PRO A 42 -16.778 -8.387 -0.877 1.00 0.00 C ATOM 654 O PRO A 42 -16.831 -8.249 0.329 1.00 0.00 O ATOM 655 CB PRO A 42 -15.776 -6.429 -2.045 1.00 0.00 C ATOM 656 CG PRO A 42 -16.132 -4.932 -1.822 1.00 0.00 C ATOM 657 CD PRO A 42 -17.544 -4.890 -1.208 1.00 0.00 C ATOM 0 HA PRO A 42 -17.454 -7.676 -2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.994 -6.747 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.395 -6.589 -3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.409 -4.459 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -16.105 -4.385 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.520 -4.517 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.202 -4.229 -1.772 1.00 0.00 H new ATOM 665 N GLN A 43 -16.484 -9.511 -1.458 1.00 0.00 N ATOM 666 CA GLN A 43 -16.191 -10.713 -0.634 1.00 0.00 C ATOM 667 C GLN A 43 -14.688 -10.893 -0.424 1.00 0.00 C ATOM 668 O GLN A 43 -14.254 -11.366 0.607 1.00 0.00 O ATOM 669 CB GLN A 43 -16.726 -11.937 -1.386 1.00 0.00 C ATOM 670 CG GLN A 43 -16.742 -11.627 -2.882 1.00 0.00 C ATOM 671 CD GLN A 43 -16.715 -12.938 -3.672 1.00 0.00 C ATOM 672 OE1 GLN A 43 -15.975 -13.085 -4.625 1.00 0.00 O ATOM 673 NE2 GLN A 43 -17.505 -13.913 -3.312 1.00 0.00 N ATOM 0 H GLN A 43 -16.433 -9.651 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.662 -10.597 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.099 -12.806 -1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.730 -12.183 -1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -17.634 -11.054 -3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.882 -11.012 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -18.128 -13.796 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.499 -14.792 -3.830 1.00 0.00 H new ATOM 682 N SER A 44 -13.926 -10.501 -1.407 1.00 0.00 N ATOM 683 CA SER A 44 -12.458 -10.632 -1.312 1.00 0.00 C ATOM 684 C SER A 44 -11.840 -9.979 -2.512 1.00 0.00 C ATOM 685 O SER A 44 -11.499 -10.636 -3.464 1.00 0.00 O ATOM 686 CB SER A 44 -12.109 -12.119 -1.312 1.00 0.00 C ATOM 687 OG SER A 44 -10.703 -12.147 -1.113 1.00 0.00 O ATOM 0 H SER A 44 -14.267 -10.093 -2.277 1.00 0.00 H new ATOM 0 HA SER A 44 -12.086 -10.159 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.634 -12.651 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.388 -12.593 -2.253 1.00 0.00 H new ATOM 0 HG SER A 44 -10.456 -12.967 -0.637 1.00 0.00 H new ATOM 693 N ILE A 45 -11.709 -8.681 -2.437 1.00 0.00 N ATOM 694 CA ILE A 45 -11.116 -7.924 -3.563 1.00 0.00 C ATOM 695 C ILE A 45 -10.038 -8.705 -4.265 1.00 0.00 C ATOM 696 O ILE A 45 -9.971 -8.723 -5.476 1.00 0.00 O ATOM 697 CB ILE A 45 -10.488 -6.656 -3.028 1.00 0.00 C ATOM 698 CG1 ILE A 45 -11.479 -5.892 -2.146 1.00 0.00 C ATOM 699 CG2 ILE A 45 -10.098 -5.802 -4.240 1.00 0.00 C ATOM 700 CD1 ILE A 45 -12.892 -6.058 -2.700 1.00 0.00 C ATOM 0 H ILE A 45 -11.991 -8.115 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.917 -7.714 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.617 -6.891 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.433 -6.265 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.212 -4.836 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.639 -4.874 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.388 -6.351 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.989 -5.573 -4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.596 -5.513 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.933 -5.664 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.157 -7.115 -2.710 1.00 0.00 H new ATOM 712 N LEU A 46 -9.210 -9.335 -3.509 1.00 0.00 N ATOM 713 CA LEU A 46 -8.137 -10.112 -4.141 1.00 0.00 C ATOM 714 C LEU A 46 -8.734 -11.284 -4.897 1.00 0.00 C ATOM 715 O LEU A 46 -8.413 -11.520 -6.041 1.00 0.00 O ATOM 716 CB LEU A 46 -7.202 -10.640 -3.039 1.00 0.00 C ATOM 717 CG LEU A 46 -5.755 -10.588 -3.538 1.00 0.00 C ATOM 718 CD1 LEU A 46 -5.633 -11.414 -4.818 1.00 0.00 C ATOM 719 CD2 LEU A 46 -5.377 -9.137 -3.836 1.00 0.00 C ATOM 0 H LEU A 46 -9.228 -9.347 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.582 -9.483 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.310 -10.039 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.472 -11.663 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.089 -10.992 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.604 -11.380 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.911 -12.448 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.297 -11.005 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.347 -9.095 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.042 -8.738 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.472 -8.542 -2.927 1.00 0.00 H new ATOM 731 N HIS A 47 -9.620 -11.972 -4.245 1.00 0.00 N ATOM 732 CA HIS A 47 -10.269 -13.142 -4.882 1.00 0.00 C ATOM 733 C HIS A 47 -11.381 -12.725 -5.844 1.00 0.00 C ATOM 734 O HIS A 47 -11.891 -13.541 -6.587 1.00 0.00 O ATOM 735 CB HIS A 47 -10.872 -13.994 -3.758 1.00 0.00 C ATOM 736 CG HIS A 47 -10.399 -15.440 -3.901 1.00 0.00 C ATOM 737 ND1 HIS A 47 -9.981 -15.954 -4.958 1.00 0.00 N ATOM 738 CD2 HIS A 47 -10.322 -16.437 -2.950 1.00 0.00 C ATOM 739 CE1 HIS A 47 -9.646 -17.165 -4.785 1.00 0.00 C ATOM 740 NE2 HIS A 47 -9.829 -17.566 -3.526 1.00 0.00 N ATOM 0 H HIS A 47 -9.925 -11.773 -3.292 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.528 -13.693 -5.461 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.574 -13.597 -2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.960 -13.951 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.608 -16.337 -1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.257 -17.799 -5.568 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.647 -18.478 -3.106 1.00 0.00 H new ATOM 748 N THR A 48 -11.733 -11.470 -5.820 1.00 0.00 N ATOM 749 CA THR A 48 -12.806 -10.998 -6.730 1.00 0.00 C ATOM 750 C THR A 48 -12.202 -10.437 -7.997 1.00 0.00 C ATOM 751 O THR A 48 -12.613 -10.772 -9.091 1.00 0.00 O ATOM 752 CB THR A 48 -13.595 -9.889 -6.027 1.00 0.00 C ATOM 753 OG1 THR A 48 -14.439 -10.551 -5.109 1.00 0.00 O ATOM 754 CG2 THR A 48 -14.556 -9.200 -7.010 1.00 0.00 C ATOM 0 H THR A 48 -11.326 -10.758 -5.214 1.00 0.00 H new ATOM 0 HA THR A 48 -13.459 -11.833 -6.982 1.00 0.00 H new ATOM 0 HB THR A 48 -12.907 -9.165 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.669 -11.438 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.107 -8.416 -6.491 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.986 -8.762 -7.829 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.257 -9.934 -7.408 1.00 0.00 H new ATOM 762 N ALA A 49 -11.230 -9.588 -7.830 1.00 0.00 N ATOM 763 CA ALA A 49 -10.585 -8.996 -9.012 1.00 0.00 C ATOM 764 C ALA A 49 -9.891 -10.077 -9.824 1.00 0.00 C ATOM 765 O ALA A 49 -9.749 -9.955 -11.024 1.00 0.00 O ATOM 766 CB ALA A 49 -9.546 -7.965 -8.539 1.00 0.00 C ATOM 0 H ALA A 49 -10.862 -9.285 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.337 -8.515 -9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.058 -7.517 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.043 -7.187 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.799 -8.460 -7.918 1.00 0.00 H new ATOM 772 N LYS A 50 -9.460 -11.126 -9.157 1.00 0.00 N ATOM 773 CA LYS A 50 -8.774 -12.215 -9.907 1.00 0.00 C ATOM 774 C LYS A 50 -9.767 -13.030 -10.713 1.00 0.00 C ATOM 775 O LYS A 50 -9.549 -13.311 -11.874 1.00 0.00 O ATOM 776 CB LYS A 50 -8.102 -13.164 -8.912 1.00 0.00 C ATOM 777 CG LYS A 50 -6.769 -13.635 -9.490 1.00 0.00 C ATOM 778 CD LYS A 50 -7.027 -14.348 -10.818 1.00 0.00 C ATOM 779 CE LYS A 50 -5.838 -15.253 -11.142 1.00 0.00 C ATOM 780 NZ LYS A 50 -5.999 -15.859 -12.493 1.00 0.00 N ATOM 0 H LYS A 50 -9.553 -11.268 -8.151 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.046 -11.756 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.941 -12.658 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.748 -14.019 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.103 -12.785 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.272 -14.308 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.942 -14.937 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.171 -13.618 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.913 -14.677 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.756 -16.039 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.184 -16.471 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.871 -16.425 -12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.055 -15.105 -13.207 1.00 0.00 H new ATOM 794 N ALA A 51 -10.842 -13.395 -10.082 1.00 0.00 N ATOM 795 CA ALA A 51 -11.857 -14.194 -10.791 1.00 0.00 C ATOM 796 C ALA A 51 -12.575 -13.379 -11.868 1.00 0.00 C ATOM 797 O ALA A 51 -13.239 -13.936 -12.721 1.00 0.00 O ATOM 798 CB ALA A 51 -12.893 -14.681 -9.765 1.00 0.00 C ATOM 0 H ALA A 51 -11.057 -13.173 -9.110 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.356 -15.029 -11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.654 -15.275 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.398 -15.292 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.362 -13.822 -9.286 1.00 0.00 H new ATOM 804 N ILE A 52 -12.432 -12.080 -11.815 1.00 0.00 N ATOM 805 CA ILE A 52 -13.106 -11.229 -12.836 1.00 0.00 C ATOM 806 C ILE A 52 -12.177 -10.886 -13.998 1.00 0.00 C ATOM 807 O ILE A 52 -12.471 -11.175 -15.139 1.00 0.00 O ATOM 808 CB ILE A 52 -13.534 -9.929 -12.160 1.00 0.00 C ATOM 809 CG1 ILE A 52 -14.715 -10.191 -11.242 1.00 0.00 C ATOM 810 CG2 ILE A 52 -13.971 -8.931 -13.247 1.00 0.00 C ATOM 811 CD1 ILE A 52 -14.981 -8.940 -10.407 1.00 0.00 C ATOM 0 H ILE A 52 -11.884 -11.578 -11.117 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.957 -11.780 -13.236 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.702 -9.529 -11.580 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.598 -10.448 -11.828 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.506 -11.040 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.280 -7.996 -12.780 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.137 -8.741 -13.923 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.806 -9.349 -13.810 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -15.828 -9.118 -9.744 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.098 -8.705 -9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -15.207 -8.103 -11.068 1.00 0.00 H new ATOM 823 N GLU A 53 -11.082 -10.262 -13.682 1.00 0.00 N ATOM 824 CA GLU A 53 -10.114 -9.884 -14.749 1.00 0.00 C ATOM 825 C GLU A 53 -9.911 -11.004 -15.761 1.00 0.00 C ATOM 826 O GLU A 53 -9.503 -10.759 -16.879 1.00 0.00 O ATOM 827 CB GLU A 53 -8.757 -9.591 -14.084 1.00 0.00 C ATOM 828 CG GLU A 53 -7.663 -9.574 -15.159 1.00 0.00 C ATOM 829 CD GLU A 53 -7.236 -11.012 -15.488 1.00 0.00 C ATOM 830 OE1 GLU A 53 -7.584 -11.877 -14.702 1.00 0.00 O ATOM 831 OE2 GLU A 53 -6.587 -11.162 -16.510 1.00 0.00 O ATOM 0 H GLU A 53 -10.813 -9.997 -12.735 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.511 -9.016 -15.275 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.791 -8.632 -13.567 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.535 -10.350 -13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.031 -9.079 -16.058 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.805 -9.001 -14.809 1.00 0.00 H new ATOM 838 N SER A 54 -10.203 -12.206 -15.362 1.00 0.00 N ATOM 839 CA SER A 54 -10.023 -13.343 -16.301 1.00 0.00 C ATOM 840 C SER A 54 -11.298 -13.702 -17.066 1.00 0.00 C ATOM 841 O SER A 54 -11.222 -14.248 -18.149 1.00 0.00 O ATOM 842 CB SER A 54 -9.605 -14.568 -15.475 1.00 0.00 C ATOM 843 OG SER A 54 -10.681 -14.756 -14.565 1.00 0.00 O ATOM 0 H SER A 54 -10.555 -12.450 -14.436 1.00 0.00 H new ATOM 0 HA SER A 54 -9.274 -13.050 -17.036 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.460 -15.444 -16.107 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.665 -14.394 -14.951 1.00 0.00 H new ATOM 0 HG SER A 54 -10.465 -14.328 -13.710 1.00 0.00 H new ATOM 849 N GLU A 55 -12.442 -13.387 -16.508 1.00 0.00 N ATOM 850 CA GLU A 55 -13.712 -13.729 -17.221 1.00 0.00 C ATOM 851 C GLU A 55 -14.302 -12.594 -18.057 1.00 0.00 C ATOM 852 O GLU A 55 -15.007 -12.860 -19.000 1.00 0.00 O ATOM 853 CB GLU A 55 -14.750 -14.149 -16.172 1.00 0.00 C ATOM 854 CG GLU A 55 -15.871 -14.947 -16.855 1.00 0.00 C ATOM 855 CD GLU A 55 -16.361 -16.041 -15.904 1.00 0.00 C ATOM 856 OE1 GLU A 55 -15.699 -17.066 -15.873 1.00 0.00 O ATOM 857 OE2 GLU A 55 -17.368 -15.791 -15.263 1.00 0.00 O ATOM 0 H GLU A 55 -12.551 -12.918 -15.609 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.468 -14.527 -17.922 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.277 -14.754 -15.398 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.163 -13.268 -15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.695 -14.285 -17.122 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.506 -15.390 -17.781 1.00 0.00 H new ATOM 864 N MET A 56 -14.030 -11.364 -17.727 1.00 0.00 N ATOM 865 CA MET A 56 -14.618 -10.283 -18.554 1.00 0.00 C ATOM 866 C MET A 56 -13.737 -9.997 -19.756 1.00 0.00 C ATOM 867 O MET A 56 -14.114 -9.268 -20.651 1.00 0.00 O ATOM 868 CB MET A 56 -14.746 -9.026 -17.699 1.00 0.00 C ATOM 869 CG MET A 56 -13.387 -8.386 -17.558 1.00 0.00 C ATOM 870 SD MET A 56 -12.965 -7.087 -18.728 1.00 0.00 S ATOM 871 CE MET A 56 -11.548 -6.473 -17.815 1.00 0.00 C ATOM 0 H MET A 56 -13.445 -11.068 -16.946 1.00 0.00 H new ATOM 0 HA MET A 56 -15.599 -10.594 -18.912 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.445 -8.328 -18.159 1.00 0.00 H new ATOM 0 HB3 MET A 56 -15.147 -9.278 -16.717 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.311 -7.973 -16.552 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.634 -9.170 -17.638 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.209 -5.536 -18.256 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.830 -6.304 -16.776 1.00 0.00 H new ATOM 0 HE3 MET A 56 -10.742 -7.206 -17.858 1.00 0.00 H new ATOM 881 N ASN A 57 -12.570 -10.581 -19.750 1.00 0.00 N ATOM 882 CA ASN A 57 -11.632 -10.366 -20.883 1.00 0.00 C ATOM 883 C ASN A 57 -11.736 -11.504 -21.898 1.00 0.00 C ATOM 884 O ASN A 57 -11.167 -11.435 -22.969 1.00 0.00 O ATOM 885 CB ASN A 57 -10.201 -10.334 -20.327 1.00 0.00 C ATOM 886 CG ASN A 57 -9.688 -11.767 -20.185 1.00 0.00 C ATOM 887 OD1 ASN A 57 -9.145 -12.338 -21.109 1.00 0.00 O ATOM 888 ND2 ASN A 57 -9.844 -12.383 -19.051 1.00 0.00 N ATOM 0 H ASN A 57 -12.228 -11.195 -19.011 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.883 -9.429 -21.380 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.551 -9.766 -20.993 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.184 -9.831 -19.360 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.511 -13.341 -18.941 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.299 -11.909 -18.271 1.00 0.00 H new ATOM 895 N LYS A 58 -12.458 -12.534 -21.526 1.00 0.00 N ATOM 896 CA LYS A 58 -12.626 -13.705 -22.436 1.00 0.00 C ATOM 897 C LYS A 58 -12.685 -13.294 -23.908 1.00 0.00 C ATOM 898 O LYS A 58 -12.178 -13.993 -24.764 1.00 0.00 O ATOM 899 CB LYS A 58 -13.939 -14.417 -22.072 1.00 0.00 C ATOM 900 CG LYS A 58 -15.104 -13.422 -22.159 1.00 0.00 C ATOM 901 CD LYS A 58 -16.122 -13.923 -23.182 1.00 0.00 C ATOM 902 CE LYS A 58 -16.903 -15.087 -22.578 1.00 0.00 C ATOM 903 NZ LYS A 58 -18.076 -14.582 -21.809 1.00 0.00 N ATOM 0 H LYS A 58 -12.938 -12.612 -20.629 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.763 -14.358 -22.308 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.111 -15.254 -22.749 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.874 -14.830 -21.065 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.577 -13.312 -21.183 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.736 -12.438 -22.448 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.802 -13.118 -23.461 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.615 -14.242 -24.092 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.240 -15.757 -23.369 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.254 -15.668 -21.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.598 -15.385 -21.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.747 -13.961 -21.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.703 -14.047 -22.443 1.00 0.00 H new ATOM 917 N VAL A 59 -13.292 -12.173 -24.180 1.00 0.00 N ATOM 918 CA VAL A 59 -13.379 -11.726 -25.592 1.00 0.00 C ATOM 919 C VAL A 59 -13.567 -10.220 -25.675 1.00 0.00 C ATOM 920 O VAL A 59 -14.557 -9.687 -25.216 1.00 0.00 O ATOM 921 CB VAL A 59 -14.590 -12.411 -26.245 1.00 0.00 C ATOM 922 CG1 VAL A 59 -15.871 -11.922 -25.568 1.00 0.00 C ATOM 923 CG2 VAL A 59 -14.638 -12.043 -27.730 1.00 0.00 C ATOM 0 H VAL A 59 -13.726 -11.556 -23.494 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.454 -11.990 -26.104 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.503 -13.492 -26.135 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.733 -12.405 -26.028 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.839 -12.170 -24.507 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.955 -10.842 -25.686 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.496 -12.527 -28.197 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -14.730 -10.962 -27.834 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -13.722 -12.378 -28.218 1.00 0.00 H new ATOM 933 N ASN A 60 -12.612 -9.555 -26.256 1.00 0.00 N ATOM 934 CA ASN A 60 -12.731 -8.088 -26.373 1.00 0.00 C ATOM 935 C ASN A 60 -12.001 -7.576 -27.607 1.00 0.00 C ATOM 936 O ASN A 60 -11.663 -8.333 -28.495 1.00 0.00 O ATOM 937 CB ASN A 60 -12.111 -7.448 -25.121 1.00 0.00 C ATOM 938 CG ASN A 60 -13.222 -7.130 -24.119 1.00 0.00 C ATOM 939 OD1 ASN A 60 -13.091 -7.364 -22.933 1.00 0.00 O ATOM 940 ND2 ASN A 60 -14.332 -6.600 -24.555 1.00 0.00 N ATOM 0 H ASN A 60 -11.764 -9.963 -26.650 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.785 -7.825 -26.464 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.384 -8.125 -24.673 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.575 -6.538 -25.390 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -15.085 -6.384 -23.902 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.447 -6.402 -25.549 1.00 0.00 H new ATOM 947 N ASN A 61 -11.777 -6.296 -27.635 1.00 0.00 N ATOM 948 CA ASN A 61 -11.073 -5.691 -28.792 1.00 0.00 C ATOM 949 C ASN A 61 -9.567 -5.625 -28.547 1.00 0.00 C ATOM 950 O ASN A 61 -8.819 -5.241 -29.409 1.00 0.00 O ATOM 951 CB ASN A 61 -11.606 -4.271 -28.992 1.00 0.00 C ATOM 952 CG ASN A 61 -12.981 -4.335 -29.663 1.00 0.00 C ATOM 953 OD1 ASN A 61 -13.428 -3.388 -30.278 1.00 0.00 O ATOM 954 ND2 ASN A 61 -13.681 -5.434 -29.575 1.00 0.00 N ATOM 0 H ASN A 61 -12.052 -5.641 -26.903 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.251 -6.305 -29.675 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.681 -3.760 -28.032 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.915 -3.694 -29.607 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.596 -5.493 -30.021 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.312 -6.234 -29.060 1.00 0.00 H new ATOM 961 N CYS A 62 -9.171 -5.962 -27.352 1.00 0.00 N ATOM 962 CA CYS A 62 -7.720 -5.935 -26.998 1.00 0.00 C ATOM 963 C CYS A 62 -6.831 -6.565 -28.086 1.00 0.00 C ATOM 964 O CYS A 62 -5.621 -6.503 -27.999 1.00 0.00 O ATOM 965 CB CYS A 62 -7.533 -6.731 -25.696 1.00 0.00 C ATOM 966 SG CYS A 62 -8.485 -8.260 -25.513 1.00 0.00 S ATOM 0 H CYS A 62 -9.792 -6.257 -26.599 1.00 0.00 H new ATOM 0 HA CYS A 62 -7.420 -4.893 -26.891 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.476 -6.979 -25.601 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.783 -6.076 -24.861 1.00 0.00 H new ATOM 0 HG CYS A 62 -8.211 -8.807 -24.366 1.00 0.00 H new ATOM 972 N ASP A 63 -7.434 -7.159 -29.084 1.00 0.00 N ATOM 973 CA ASP A 63 -6.608 -7.786 -30.161 1.00 0.00 C ATOM 974 C ASP A 63 -6.244 -6.788 -31.265 1.00 0.00 C ATOM 975 O ASP A 63 -5.322 -7.014 -32.023 1.00 0.00 O ATOM 976 CB ASP A 63 -7.422 -8.930 -30.788 1.00 0.00 C ATOM 977 CG ASP A 63 -7.552 -10.073 -29.779 1.00 0.00 C ATOM 978 OD1 ASP A 63 -8.468 -9.987 -28.980 1.00 0.00 O ATOM 979 OD2 ASP A 63 -6.726 -10.968 -29.866 1.00 0.00 O ATOM 0 H ASP A 63 -8.444 -7.237 -29.200 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.681 -8.145 -29.713 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.410 -8.572 -31.078 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.933 -9.285 -31.695 1.00 0.00 H new ATOM 984 N THR A 64 -6.968 -5.709 -31.340 1.00 0.00 N ATOM 985 CA THR A 64 -6.664 -4.702 -32.389 1.00 0.00 C ATOM 986 C THR A 64 -7.034 -3.298 -31.918 1.00 0.00 C ATOM 987 O THR A 64 -6.242 -2.381 -32.019 1.00 0.00 O ATOM 988 CB THR A 64 -7.485 -5.037 -33.635 1.00 0.00 C ATOM 989 OG1 THR A 64 -8.772 -5.371 -33.155 1.00 0.00 O ATOM 990 CG2 THR A 64 -6.972 -6.323 -34.298 1.00 0.00 C ATOM 0 H THR A 64 -7.750 -5.482 -30.726 1.00 0.00 H new ATOM 0 HA THR A 64 -5.596 -4.727 -32.606 1.00 0.00 H new ATOM 0 HB THR A 64 -7.447 -4.205 -34.338 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.354 -5.597 -33.910 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.571 -6.541 -35.182 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.930 -6.191 -34.590 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.050 -7.151 -33.594 1.00 0.00 H new ATOM 998 N ASN A 65 -8.237 -3.162 -31.411 1.00 0.00 N ATOM 999 CA ASN A 65 -8.696 -1.831 -30.924 1.00 0.00 C ATOM 1000 C ASN A 65 -8.768 -1.823 -29.404 1.00 0.00 C ATOM 1001 O ASN A 65 -9.835 -1.797 -28.826 1.00 0.00 O ATOM 1002 CB ASN A 65 -10.101 -1.567 -31.491 1.00 0.00 C ATOM 1003 CG ASN A 65 -9.987 -1.208 -32.974 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -10.316 -1.992 -33.841 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -9.528 -0.035 -33.308 1.00 0.00 N ATOM 0 H ASN A 65 -8.917 -3.917 -31.315 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.995 -1.062 -31.250 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.728 -2.450 -31.366 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.580 -0.755 -30.944 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.447 0.220 -34.292 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.250 0.629 -32.585 1.00 0.00 H new ATOM 1012 N GLU A 66 -7.625 -1.836 -28.787 1.00 0.00 N ATOM 1013 CA GLU A 66 -7.590 -1.831 -27.305 1.00 0.00 C ATOM 1014 C GLU A 66 -8.293 -0.604 -26.766 1.00 0.00 C ATOM 1015 O GLU A 66 -8.531 -0.485 -25.581 1.00 0.00 O ATOM 1016 CB GLU A 66 -6.122 -1.803 -26.853 1.00 0.00 C ATOM 1017 CG GLU A 66 -5.507 -0.450 -27.219 1.00 0.00 C ATOM 1018 CD GLU A 66 -5.721 -0.183 -28.711 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -5.075 -0.872 -29.483 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -6.517 0.696 -28.994 1.00 0.00 O ATOM 0 H GLU A 66 -6.714 -1.850 -29.245 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.094 -2.721 -26.928 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.057 -1.966 -25.777 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.566 -2.610 -27.332 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.965 0.342 -26.627 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.442 -0.447 -26.987 1.00 0.00 H new ATOM 1027 N ALA A 67 -8.618 0.284 -27.652 1.00 0.00 N ATOM 1028 CA ALA A 67 -9.305 1.515 -27.231 1.00 0.00 C ATOM 1029 C ALA A 67 -10.728 1.203 -26.806 1.00 0.00 C ATOM 1030 O ALA A 67 -11.239 1.758 -25.850 1.00 0.00 O ATOM 1031 CB ALA A 67 -9.332 2.463 -28.433 1.00 0.00 C ATOM 0 H ALA A 67 -8.435 0.206 -28.652 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.784 1.967 -26.387 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.836 3.389 -28.155 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.311 2.685 -28.744 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.868 1.991 -29.256 1.00 0.00 H new ATOM 1037 N ALA A 68 -11.343 0.310 -27.524 1.00 0.00 N ATOM 1038 CA ALA A 68 -12.730 -0.064 -27.193 1.00 0.00 C ATOM 1039 C ALA A 68 -12.764 -0.889 -25.918 1.00 0.00 C ATOM 1040 O ALA A 68 -13.560 -0.640 -25.035 1.00 0.00 O ATOM 1041 CB ALA A 68 -13.281 -0.908 -28.345 1.00 0.00 C ATOM 0 H ALA A 68 -10.940 -0.174 -28.326 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.328 0.836 -27.046 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.308 -1.198 -28.124 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.258 -0.326 -29.266 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.669 -1.802 -28.466 1.00 0.00 H new ATOM 1047 N TYR A 69 -11.899 -1.863 -25.845 1.00 0.00 N ATOM 1048 CA TYR A 69 -11.866 -2.714 -24.634 1.00 0.00 C ATOM 1049 C TYR A 69 -11.596 -1.854 -23.407 1.00 0.00 C ATOM 1050 O TYR A 69 -12.009 -2.178 -22.309 1.00 0.00 O ATOM 1051 CB TYR A 69 -10.725 -3.736 -24.793 1.00 0.00 C ATOM 1052 CG TYR A 69 -10.517 -4.491 -23.474 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -11.590 -5.029 -22.793 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -9.250 -4.644 -22.949 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -11.398 -5.708 -21.607 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -9.058 -5.323 -21.762 1.00 0.00 C ATOM 1057 CZ TYR A 69 -10.131 -5.860 -21.082 1.00 0.00 C ATOM 1058 OH TYR A 69 -9.939 -6.541 -19.896 1.00 0.00 O ATOM 0 H TYR A 69 -11.220 -2.101 -26.568 1.00 0.00 H new ATOM 0 HA TYR A 69 -12.822 -3.222 -24.511 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.963 -4.439 -25.592 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.805 -3.226 -25.080 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.588 -4.918 -23.191 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.401 -4.229 -23.471 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.247 -6.124 -21.085 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.060 -5.434 -21.363 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.320 -7.441 -19.970 1.00 0.00 H new ATOM 1068 N LYS A 70 -10.905 -0.765 -23.623 1.00 0.00 N ATOM 1069 CA LYS A 70 -10.589 0.141 -22.495 1.00 0.00 C ATOM 1070 C LYS A 70 -11.853 0.786 -21.951 1.00 0.00 C ATOM 1071 O LYS A 70 -12.172 0.649 -20.782 1.00 0.00 O ATOM 1072 CB LYS A 70 -9.661 1.245 -23.016 1.00 0.00 C ATOM 1073 CG LYS A 70 -8.226 0.934 -22.594 1.00 0.00 C ATOM 1074 CD LYS A 70 -7.970 1.531 -21.208 1.00 0.00 C ATOM 1075 CE LYS A 70 -6.466 1.513 -20.926 1.00 0.00 C ATOM 1076 NZ LYS A 70 -5.717 2.115 -22.062 1.00 0.00 N ATOM 0 H LYS A 70 -10.549 -0.470 -24.532 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.117 -0.431 -21.696 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.728 1.310 -24.102 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.968 2.213 -22.619 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.065 -0.144 -22.574 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.523 1.348 -23.317 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.349 2.552 -21.162 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.502 0.959 -20.448 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.255 2.065 -20.010 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.132 0.488 -20.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.799 2.468 -21.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.562 1.395 -22.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.266 2.904 -22.461 1.00 0.00 H new ATOM 1090 N ALA A 71 -12.553 1.481 -22.806 1.00 0.00 N ATOM 1091 CA ALA A 71 -13.798 2.142 -22.352 1.00 0.00 C ATOM 1092 C ALA A 71 -14.777 1.115 -21.802 1.00 0.00 C ATOM 1093 O ALA A 71 -15.470 1.367 -20.838 1.00 0.00 O ATOM 1094 CB ALA A 71 -14.443 2.849 -23.555 1.00 0.00 C ATOM 0 H ALA A 71 -12.316 1.616 -23.789 1.00 0.00 H new ATOM 0 HA ALA A 71 -13.558 2.857 -21.565 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.362 3.341 -23.238 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.752 3.592 -23.954 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.673 2.116 -24.328 1.00 0.00 H new ATOM 1100 N ARG A 72 -14.814 -0.028 -22.427 1.00 0.00 N ATOM 1101 CA ARG A 72 -15.741 -1.083 -21.956 1.00 0.00 C ATOM 1102 C ARG A 72 -15.556 -1.332 -20.467 1.00 0.00 C ATOM 1103 O ARG A 72 -16.390 -0.966 -19.663 1.00 0.00 O ATOM 1104 CB ARG A 72 -15.414 -2.377 -22.722 1.00 0.00 C ATOM 1105 CG ARG A 72 -16.095 -3.570 -22.042 1.00 0.00 C ATOM 1106 CD ARG A 72 -15.817 -4.828 -22.865 1.00 0.00 C ATOM 1107 NE ARG A 72 -16.534 -5.984 -22.260 1.00 0.00 N ATOM 1108 CZ ARG A 72 -16.343 -7.178 -22.751 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -17.021 -7.542 -23.805 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -15.475 -7.965 -22.177 1.00 0.00 N ATOM 0 H ARG A 72 -14.245 -0.273 -23.238 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.770 -0.770 -22.131 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.752 -2.294 -23.755 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.335 -2.530 -22.751 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.718 -3.692 -21.027 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.169 -3.399 -21.965 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.144 -4.682 -23.895 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.746 -5.026 -22.896 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.166 -5.845 -21.472 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.687 -6.897 -24.231 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.885 -8.471 -24.203 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.959 -7.644 -21.358 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.313 -8.902 -22.547 1.00 0.00 H new ATOM 1124 N TYR A 73 -14.456 -1.937 -20.121 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.204 -2.215 -18.687 1.00 0.00 C ATOM 1126 C TYR A 73 -14.490 -0.985 -17.824 1.00 0.00 C ATOM 1127 O TYR A 73 -15.416 -0.972 -17.044 1.00 0.00 O ATOM 1128 CB TYR A 73 -12.727 -2.594 -18.509 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.350 -2.419 -17.035 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.579 -3.434 -16.126 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.805 -1.232 -16.588 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -12.268 -3.262 -14.792 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -11.495 -1.062 -15.256 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.725 -2.074 -14.347 1.00 0.00 C ATOM 1135 OH TYR A 73 -11.424 -1.898 -13.012 1.00 0.00 O ATOM 0 H TYR A 73 -13.728 -2.248 -20.764 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.862 -3.025 -18.374 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.561 -3.625 -18.822 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.097 -1.965 -19.138 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.004 -4.368 -16.461 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.620 -0.430 -17.288 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.451 -4.063 -14.091 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.068 -0.128 -14.921 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.241 -1.985 -12.478 1.00 0.00 H new ATOM 1145 N ARG A 74 -13.689 0.028 -17.998 1.00 0.00 N ATOM 1146 CA ARG A 74 -13.875 1.281 -17.203 1.00 0.00 C ATOM 1147 C ARG A 74 -15.346 1.662 -17.025 1.00 0.00 C ATOM 1148 O ARG A 74 -15.751 2.055 -15.950 1.00 0.00 O ATOM 1149 CB ARG A 74 -13.160 2.427 -17.935 1.00 0.00 C ATOM 1150 CG ARG A 74 -13.170 3.678 -17.046 1.00 0.00 C ATOM 1151 CD ARG A 74 -11.972 3.632 -16.093 1.00 0.00 C ATOM 1152 NE ARG A 74 -12.298 4.410 -14.861 1.00 0.00 N ATOM 1153 CZ ARG A 74 -11.390 4.551 -13.932 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -10.309 3.822 -13.992 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -11.591 5.421 -12.980 1.00 0.00 N ATOM 0 H ARG A 74 -12.911 0.046 -18.657 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.461 1.106 -16.210 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.135 2.141 -18.169 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.657 2.636 -18.882 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.125 4.576 -17.662 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.099 3.727 -16.478 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.737 2.600 -15.835 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.089 4.048 -16.578 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.221 4.828 -14.746 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.184 3.157 -14.755 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.589 3.918 -13.276 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.446 5.977 -12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.893 5.545 -12.246 1.00 0.00 H new ATOM 1169 N ILE A 75 -16.118 1.546 -18.066 1.00 0.00 N ATOM 1170 CA ILE A 75 -17.560 1.912 -17.939 1.00 0.00 C ATOM 1171 C ILE A 75 -18.388 0.785 -17.341 1.00 0.00 C ATOM 1172 O ILE A 75 -18.833 0.868 -16.214 1.00 0.00 O ATOM 1173 CB ILE A 75 -18.106 2.211 -19.334 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -17.441 3.458 -19.896 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -19.619 2.471 -19.220 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -17.783 3.584 -21.386 1.00 0.00 C ATOM 0 H ILE A 75 -15.823 1.220 -18.986 1.00 0.00 H new ATOM 0 HA ILE A 75 -17.630 2.776 -17.278 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.905 1.366 -19.992 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.782 4.341 -19.356 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.361 3.400 -19.762 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -20.027 2.687 -20.208 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -20.110 1.589 -18.810 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -19.793 3.322 -18.562 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.309 4.477 -21.794 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.420 2.705 -21.918 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.864 3.660 -21.506 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.577 -0.246 -18.103 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.375 -1.389 -17.602 1.00 0.00 C ATOM 1190 C ILE A 76 -18.792 -1.986 -16.323 1.00 0.00 C ATOM 1191 O ILE A 76 -19.393 -2.846 -15.716 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.421 -2.455 -18.683 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -19.514 -1.775 -20.052 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -20.684 -3.302 -18.447 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -20.248 -2.677 -21.042 1.00 0.00 C ATOM 0 H ILE A 76 -18.214 -0.348 -19.051 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.375 -1.028 -17.363 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.528 -3.080 -18.653 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.038 -0.824 -19.958 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -18.514 -1.553 -20.424 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -20.748 -4.080 -19.208 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -20.634 -3.763 -17.461 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -21.566 -2.664 -18.505 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -20.307 -2.181 -22.011 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -19.707 -3.617 -21.148 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -21.255 -2.877 -20.675 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.624 -1.534 -15.940 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.006 -2.081 -14.693 1.00 0.00 C ATOM 1209 C TYR A 77 -18.053 -2.253 -13.599 1.00 0.00 C ATOM 1210 O TYR A 77 -17.867 -3.020 -12.679 1.00 0.00 O ATOM 1211 CB TYR A 77 -15.939 -1.098 -14.184 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.653 -1.384 -12.704 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -14.799 -2.406 -12.338 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -16.233 -0.615 -11.715 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -14.530 -2.652 -11.007 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -15.964 -0.863 -10.387 1.00 0.00 C ATOM 1217 CZ TYR A 77 -15.112 -1.881 -10.023 1.00 0.00 C ATOM 1218 OH TYR A 77 -14.849 -2.128 -8.691 1.00 0.00 O ATOM 0 H TYR A 77 -17.079 -0.822 -16.427 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.565 -3.050 -14.926 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -15.025 -1.200 -14.769 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.284 -0.072 -14.308 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.338 -3.018 -13.100 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -16.903 0.188 -11.985 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.859 -3.453 -10.734 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.426 -0.253 -9.625 1.00 0.00 H new ATOM 0 HH TYR A 77 -15.511 -1.666 -8.136 1.00 0.00 H new ATOM 1228 N SER A 78 -19.136 -1.530 -13.719 1.00 0.00 N ATOM 1229 CA SER A 78 -20.204 -1.641 -12.694 1.00 0.00 C ATOM 1230 C SER A 78 -20.915 -2.976 -12.803 1.00 0.00 C ATOM 1231 O SER A 78 -20.946 -3.744 -11.864 1.00 0.00 O ATOM 1232 CB SER A 78 -21.223 -0.514 -12.925 1.00 0.00 C ATOM 1233 OG SER A 78 -21.688 -0.193 -11.623 1.00 0.00 O ATOM 0 H SER A 78 -19.322 -0.874 -14.477 1.00 0.00 H new ATOM 0 HA SER A 78 -19.756 -1.563 -11.703 1.00 0.00 H new ATOM 0 HB2 SER A 78 -20.761 0.348 -13.407 1.00 0.00 H new ATOM 0 HB3 SER A 78 -22.039 -0.841 -13.570 1.00 0.00 H new ATOM 0 HG SER A 78 -22.349 0.528 -11.680 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.487 -3.231 -13.940 1.00 0.00 N ATOM 1240 CA ASN A 79 -22.190 -4.518 -14.104 1.00 0.00 C ATOM 1241 C ASN A 79 -21.189 -5.653 -14.027 1.00 0.00 C ATOM 1242 O ASN A 79 -21.550 -6.789 -13.797 1.00 0.00 O ATOM 1243 CB ASN A 79 -22.880 -4.539 -15.476 1.00 0.00 C ATOM 1244 CG ASN A 79 -23.547 -3.185 -15.726 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -24.064 -2.561 -14.823 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -23.555 -2.696 -16.934 1.00 0.00 N ATOM 0 H ASN A 79 -21.497 -2.612 -14.750 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.932 -4.636 -13.315 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -22.152 -4.749 -16.259 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -23.623 -5.336 -15.510 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -23.994 -1.794 -17.116 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -23.122 -3.216 -17.697 1.00 0.00 H new ATOM 1253 N VAL A 80 -19.934 -5.328 -14.228 1.00 0.00 N ATOM 1254 CA VAL A 80 -18.907 -6.386 -14.165 1.00 0.00 C ATOM 1255 C VAL A 80 -18.836 -6.930 -12.751 1.00 0.00 C ATOM 1256 O VAL A 80 -18.806 -8.127 -12.549 1.00 0.00 O ATOM 1257 CB VAL A 80 -17.539 -5.796 -14.549 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -16.445 -6.816 -14.218 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -17.517 -5.506 -16.052 1.00 0.00 C ATOM 0 H VAL A 80 -19.591 -4.389 -14.429 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.166 -7.188 -14.857 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.367 -4.873 -13.995 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.472 -6.406 -14.487 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.464 -7.036 -13.151 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -16.620 -7.733 -14.780 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.549 -5.088 -16.328 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.683 -6.431 -16.604 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.304 -4.792 -16.296 1.00 0.00 H new ATOM 1269 N ILE A 81 -18.810 -6.042 -11.780 1.00 0.00 N ATOM 1270 CA ILE A 81 -18.745 -6.528 -10.384 1.00 0.00 C ATOM 1271 C ILE A 81 -19.854 -7.536 -10.163 1.00 0.00 C ATOM 1272 O ILE A 81 -19.812 -8.333 -9.248 1.00 0.00 O ATOM 1273 CB ILE A 81 -18.959 -5.360 -9.431 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -18.281 -4.124 -9.980 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -18.316 -5.717 -8.074 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -18.025 -3.150 -8.841 1.00 0.00 C ATOM 0 H ILE A 81 -18.831 -5.029 -11.900 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.772 -6.985 -10.202 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.026 -5.168 -9.315 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.342 -4.393 -10.463 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.908 -3.658 -10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -18.458 -4.892 -7.376 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.785 -6.616 -7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.250 -5.895 -8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.536 -2.256 -9.229 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -18.973 -2.874 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.382 -3.621 -8.097 1.00 0.00 H new ATOM 1288 N SER A 82 -20.839 -7.472 -11.024 1.00 0.00 N ATOM 1289 CA SER A 82 -21.978 -8.404 -10.911 1.00 0.00 C ATOM 1290 C SER A 82 -21.570 -9.809 -11.334 1.00 0.00 C ATOM 1291 O SER A 82 -21.589 -10.729 -10.541 1.00 0.00 O ATOM 1292 CB SER A 82 -23.097 -7.915 -11.840 1.00 0.00 C ATOM 1293 OG SER A 82 -24.292 -8.269 -11.160 1.00 0.00 O ATOM 0 H SER A 82 -20.894 -6.810 -11.798 1.00 0.00 H new ATOM 0 HA SER A 82 -22.313 -8.434 -9.874 1.00 0.00 H new ATOM 0 HB2 SER A 82 -23.036 -6.839 -12.005 1.00 0.00 H new ATOM 0 HB3 SER A 82 -23.039 -8.392 -12.819 1.00 0.00 H new ATOM 0 HG SER A 82 -25.066 -7.987 -11.691 1.00 0.00 H new ATOM 1299 N LYS A 83 -21.205 -9.955 -12.584 1.00 0.00 N ATOM 1300 CA LYS A 83 -20.794 -11.297 -13.068 1.00 0.00 C ATOM 1301 C LYS A 83 -20.013 -11.202 -14.381 1.00 0.00 C ATOM 1302 O LYS A 83 -18.798 -11.146 -14.376 1.00 0.00 O ATOM 1303 CB LYS A 83 -22.062 -12.138 -13.292 1.00 0.00 C ATOM 1304 CG LYS A 83 -21.667 -13.606 -13.457 1.00 0.00 C ATOM 1305 CD LYS A 83 -21.343 -14.194 -12.081 1.00 0.00 C ATOM 1306 CE LYS A 83 -21.382 -15.720 -12.164 1.00 0.00 C ATOM 1307 NZ LYS A 83 -20.284 -16.313 -11.351 1.00 0.00 N ATOM 0 H LYS A 83 -21.176 -9.209 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 83 -20.145 -11.758 -12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -22.742 -12.024 -12.448 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -22.592 -11.790 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -22.479 -14.164 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.803 -13.691 -14.116 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -20.358 -13.861 -11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -22.062 -13.840 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -22.345 -16.085 -11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -21.286 -16.037 -13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.324 -17.350 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.367 -15.978 -11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.393 -16.025 -10.358 1.00 0.00 H new ATOM 1321 N ASN A 84 -20.718 -11.187 -15.486 1.00 0.00 N ATOM 1322 CA ASN A 84 -20.014 -11.097 -16.793 1.00 0.00 C ATOM 1323 C ASN A 84 -21.006 -10.984 -17.953 1.00 0.00 C ATOM 1324 O ASN A 84 -22.189 -10.797 -17.749 1.00 0.00 O ATOM 1325 CB ASN A 84 -19.186 -12.380 -16.978 1.00 0.00 C ATOM 1326 CG ASN A 84 -17.763 -12.010 -17.395 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -17.416 -12.052 -18.557 1.00 0.00 O ATOM 1328 ND2 ASN A 84 -16.909 -11.647 -16.478 1.00 0.00 N ATOM 0 H ASN A 84 -21.736 -11.233 -15.536 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.383 -10.208 -16.794 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -19.168 -12.951 -16.050 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.645 -13.016 -17.735 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.954 -11.400 -16.739 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -17.196 -11.610 -15.500 1.00 0.00 H new ATOM 1335 N ASN A 85 -20.492 -11.102 -19.155 1.00 0.00 N ATOM 1336 CA ASN A 85 -21.373 -11.009 -20.353 1.00 0.00 C ATOM 1337 C ASN A 85 -22.013 -9.625 -20.452 1.00 0.00 C ATOM 1338 O ASN A 85 -23.197 -9.449 -20.240 1.00 0.00 O ATOM 1339 CB ASN A 85 -22.474 -12.078 -20.227 1.00 0.00 C ATOM 1340 CG ASN A 85 -22.964 -12.464 -21.623 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -22.438 -13.362 -22.251 1.00 0.00 O ATOM 1342 ND2 ASN A 85 -23.966 -11.813 -22.147 1.00 0.00 N ATOM 0 H ASN A 85 -19.504 -11.258 -19.353 1.00 0.00 H new ATOM 0 HA ASN A 85 -20.779 -11.172 -21.252 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -22.087 -12.956 -19.709 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -23.302 -11.695 -19.631 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -24.303 -12.059 -23.078 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -24.412 -11.058 -21.626 1.00 0.00 H new ATOM 1349 N PRO A 86 -21.190 -8.672 -20.784 1.00 0.00 N ATOM 1350 CA PRO A 86 -21.614 -7.288 -20.926 1.00 0.00 C ATOM 1351 C PRO A 86 -22.325 -7.050 -22.253 1.00 0.00 C ATOM 1352 O PRO A 86 -23.285 -6.309 -22.326 1.00 0.00 O ATOM 1353 CB PRO A 86 -20.295 -6.493 -20.914 1.00 0.00 C ATOM 1354 CG PRO A 86 -19.140 -7.521 -21.094 1.00 0.00 C ATOM 1355 CD PRO A 86 -19.768 -8.916 -21.020 1.00 0.00 C ATOM 0 HA PRO A 86 -22.313 -7.001 -20.141 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -20.283 -5.755 -21.716 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -20.183 -5.947 -19.977 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -18.638 -7.374 -22.050 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.387 -7.395 -20.316 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -19.610 -9.471 -21.945 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.329 -9.506 -20.215 1.00 0.00 H new ATOM 1363 N ASP A 87 -21.835 -7.682 -23.278 1.00 0.00 N ATOM 1364 CA ASP A 87 -22.460 -7.507 -24.604 1.00 0.00 C ATOM 1365 C ASP A 87 -22.177 -6.112 -25.141 1.00 0.00 C ATOM 1366 O ASP A 87 -22.996 -5.527 -25.816 1.00 0.00 O ATOM 1367 CB ASP A 87 -23.978 -7.684 -24.462 1.00 0.00 C ATOM 1368 CG ASP A 87 -24.514 -8.377 -25.711 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -23.995 -8.059 -26.771 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -25.409 -9.186 -25.536 1.00 0.00 O ATOM 0 H ASP A 87 -21.031 -8.309 -23.251 1.00 0.00 H new ATOM 0 HA ASP A 87 -22.050 -8.245 -25.293 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -24.207 -8.275 -23.575 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -24.460 -6.715 -24.332 1.00 0.00 H new ATOM 1375 N LEU A 88 -21.015 -5.601 -24.821 1.00 0.00 N ATOM 1376 CA LEU A 88 -20.655 -4.237 -25.305 1.00 0.00 C ATOM 1377 C LEU A 88 -21.122 -4.012 -26.745 1.00 0.00 C ATOM 1378 O LEU A 88 -21.521 -2.922 -27.106 1.00 0.00 O ATOM 1379 CB LEU A 88 -19.125 -4.087 -25.254 1.00 0.00 C ATOM 1380 CG LEU A 88 -18.755 -2.634 -25.551 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -18.945 -1.799 -24.284 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -17.290 -2.573 -25.986 1.00 0.00 C ATOM 0 H LEU A 88 -20.307 -6.065 -24.251 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.146 -3.503 -24.666 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -18.751 -4.377 -24.272 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.658 -4.750 -25.982 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.391 -2.242 -26.345 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.683 -0.761 -24.489 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -19.986 -1.854 -23.965 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -18.302 -2.186 -23.493 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -17.017 -1.540 -26.200 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.657 -2.958 -25.186 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -17.151 -3.178 -26.882 1.00 0.00 H new ATOM 1579 N PHE A 101 -33.576 7.864 -19.990 1.00 0.00 N ATOM 1580 CA PHE A 101 -32.901 7.081 -18.920 1.00 0.00 C ATOM 1581 C PHE A 101 -31.517 7.625 -18.634 1.00 0.00 C ATOM 1582 O PHE A 101 -31.271 8.219 -17.604 1.00 0.00 O ATOM 1583 CB PHE A 101 -32.732 5.635 -19.401 1.00 0.00 C ATOM 1584 CG PHE A 101 -34.084 4.982 -19.591 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -34.769 5.124 -20.781 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -34.622 4.199 -18.594 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -35.972 4.491 -20.968 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -35.825 3.566 -18.782 1.00 0.00 C ATOM 1589 CZ PHE A 101 -36.503 3.711 -19.970 1.00 0.00 C ATOM 0 HA PHE A 101 -33.510 7.143 -18.018 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -32.178 5.619 -20.340 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -32.146 5.070 -18.676 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -34.356 5.736 -21.569 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -34.094 4.082 -17.659 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -36.502 4.606 -21.902 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -36.240 2.953 -17.996 1.00 0.00 H new ATOM 0 HZ PHE A 101 -37.450 3.213 -20.118 1.00 0.00 H new ATOM 1599 N LEU A 102 -30.642 7.404 -19.559 1.00 0.00 N ATOM 1600 CA LEU A 102 -29.262 7.882 -19.398 1.00 0.00 C ATOM 1601 C LEU A 102 -29.229 9.398 -19.293 1.00 0.00 C ATOM 1602 O LEU A 102 -28.197 9.983 -19.026 1.00 0.00 O ATOM 1603 CB LEU A 102 -28.461 7.439 -20.634 1.00 0.00 C ATOM 1604 CG LEU A 102 -28.251 5.913 -20.586 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -29.607 5.200 -20.545 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -27.510 5.467 -21.844 1.00 0.00 C ATOM 0 H LEU A 102 -30.829 6.906 -20.429 1.00 0.00 H new ATOM 0 HA LEU A 102 -28.833 7.467 -18.486 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -28.993 7.716 -21.544 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -27.498 7.949 -20.660 1.00 0.00 H new ATOM 0 HG LEU A 102 -27.675 5.663 -19.695 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -29.450 4.122 -20.511 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -30.157 5.515 -19.658 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -30.180 5.456 -21.437 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -27.359 4.388 -21.814 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -28.098 5.727 -22.724 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -26.543 5.967 -21.893 1.00 0.00 H new ATOM 1618 N ALA A 103 -30.360 10.007 -19.506 1.00 0.00 N ATOM 1619 CA ALA A 103 -30.415 11.490 -19.426 1.00 0.00 C ATOM 1620 C ALA A 103 -30.820 11.971 -18.035 1.00 0.00 C ATOM 1621 O ALA A 103 -30.750 13.151 -17.748 1.00 0.00 O ATOM 1622 CB ALA A 103 -31.461 11.984 -20.434 1.00 0.00 C ATOM 0 H ALA A 103 -31.242 9.546 -19.730 1.00 0.00 H new ATOM 0 HA ALA A 103 -29.422 11.884 -19.645 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -31.520 13.072 -20.394 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -31.174 11.673 -21.438 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -32.434 11.559 -20.187 1.00 0.00 H new ATOM 1628 N THR A 104 -31.236 11.052 -17.197 1.00 0.00 N ATOM 1629 CA THR A 104 -31.653 11.442 -15.816 1.00 0.00 C ATOM 1630 C THR A 104 -31.004 10.554 -14.770 1.00 0.00 C ATOM 1631 O THR A 104 -31.389 10.567 -13.618 1.00 0.00 O ATOM 1632 CB THR A 104 -33.157 11.262 -15.720 1.00 0.00 C ATOM 1633 OG1 THR A 104 -33.701 12.113 -16.709 1.00 0.00 O ATOM 1634 CG2 THR A 104 -33.694 11.815 -14.392 1.00 0.00 C ATOM 0 H THR A 104 -31.304 10.056 -17.408 1.00 0.00 H new ATOM 0 HA THR A 104 -31.349 12.473 -15.632 1.00 0.00 H new ATOM 0 HB THR A 104 -33.408 10.206 -15.820 1.00 0.00 H new ATOM 0 HG1 THR A 104 -34.678 12.042 -16.700 1.00 0.00 H new ATOM 0 HG21 THR A 104 -34.774 11.673 -14.349 1.00 0.00 H new ATOM 0 HG22 THR A 104 -33.225 11.287 -13.562 1.00 0.00 H new ATOM 0 HG23 THR A 104 -33.464 12.878 -14.321 1.00 0.00 H new ATOM 1642 N CYS A 105 -30.048 9.789 -15.184 1.00 0.00 N ATOM 1643 CA CYS A 105 -29.373 8.896 -14.212 1.00 0.00 C ATOM 1644 C CYS A 105 -28.428 9.675 -13.298 1.00 0.00 C ATOM 1645 O CYS A 105 -28.715 9.873 -12.134 1.00 0.00 O ATOM 1646 CB CYS A 105 -28.552 7.866 -15.002 1.00 0.00 C ATOM 1647 SG CYS A 105 -29.447 6.470 -15.725 1.00 0.00 S ATOM 0 H CYS A 105 -29.704 9.740 -16.143 1.00 0.00 H new ATOM 0 HA CYS A 105 -30.130 8.417 -13.591 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -28.038 8.391 -15.807 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -27.784 7.467 -14.340 1.00 0.00 H new ATOM 0 HG CYS A 105 -30.375 6.914 -16.520 1.00 0.00 H new ATOM 1653 N ASP A 106 -27.320 10.105 -13.844 1.00 0.00 N ATOM 1654 CA ASP A 106 -26.339 10.875 -13.020 1.00 0.00 C ATOM 1655 C ASP A 106 -26.478 12.380 -13.214 1.00 0.00 C ATOM 1656 O ASP A 106 -26.790 13.102 -12.287 1.00 0.00 O ATOM 1657 CB ASP A 106 -24.927 10.454 -13.441 1.00 0.00 C ATOM 1658 CG ASP A 106 -24.755 8.954 -13.198 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -25.104 8.216 -14.105 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -24.287 8.631 -12.119 1.00 0.00 O ATOM 0 H ASP A 106 -27.053 9.958 -14.817 1.00 0.00 H new ATOM 0 HA ASP A 106 -26.531 10.657 -11.969 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -24.765 10.685 -14.494 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -24.183 11.014 -12.874 1.00 0.00 H new ATOM 1665 N ALA A 107 -26.220 12.822 -14.415 1.00 0.00 N ATOM 1666 CA ALA A 107 -26.323 14.279 -14.712 1.00 0.00 C ATOM 1667 C ALA A 107 -27.548 14.902 -14.067 1.00 0.00 C ATOM 1668 O ALA A 107 -27.636 16.108 -13.946 1.00 0.00 O ATOM 1669 CB ALA A 107 -26.430 14.454 -16.233 1.00 0.00 C ATOM 0 H ALA A 107 -25.942 12.237 -15.203 1.00 0.00 H new ATOM 0 HA ALA A 107 -25.439 14.775 -14.310 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -26.507 15.515 -16.473 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -25.543 14.037 -16.710 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -27.316 13.935 -16.598 1.00 0.00 H new ATOM 1675 N LYS A 108 -28.475 14.087 -13.667 1.00 0.00 N ATOM 1676 CA LYS A 108 -29.685 14.648 -13.032 1.00 0.00 C ATOM 1677 C LYS A 108 -29.305 15.658 -11.970 1.00 0.00 C ATOM 1678 O LYS A 108 -30.019 16.613 -11.739 1.00 0.00 O ATOM 1679 CB LYS A 108 -30.470 13.505 -12.379 1.00 0.00 C ATOM 1680 CG LYS A 108 -31.798 14.048 -11.843 1.00 0.00 C ATOM 1681 CD LYS A 108 -31.616 14.486 -10.385 1.00 0.00 C ATOM 1682 CE LYS A 108 -32.158 13.400 -9.459 1.00 0.00 C ATOM 1683 NZ LYS A 108 -32.256 13.913 -8.065 1.00 0.00 N ATOM 0 H LYS A 108 -28.447 13.071 -13.751 1.00 0.00 H new ATOM 0 HA LYS A 108 -30.291 15.146 -13.789 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -30.654 12.713 -13.105 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -29.889 13.066 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -32.130 14.891 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -32.571 13.282 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -30.561 14.665 -10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -32.140 15.425 -10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -33.139 13.075 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -31.505 12.528 -9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -32.626 13.165 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -31.313 14.202 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -32.897 14.731 -8.041 1.00 0.00 H new ATOM 1697 N ASP A 109 -28.187 15.436 -11.329 1.00 0.00 N ATOM 1698 CA ASP A 109 -27.775 16.395 -10.285 1.00 0.00 C ATOM 1699 C ASP A 109 -27.841 17.771 -10.871 1.00 0.00 C ATOM 1700 O ASP A 109 -28.304 18.707 -10.247 1.00 0.00 O ATOM 1701 CB ASP A 109 -26.333 16.083 -9.856 1.00 0.00 C ATOM 1702 CG ASP A 109 -26.050 16.760 -8.514 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -26.560 17.856 -8.342 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -25.343 16.144 -7.735 1.00 0.00 O ATOM 0 H ASP A 109 -27.559 14.647 -11.484 1.00 0.00 H new ATOM 0 HA ASP A 109 -28.428 16.324 -9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -26.191 15.006 -9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -25.631 16.438 -10.611 1.00 0.00 H new ATOM 1709 N LEU A 110 -27.367 17.870 -12.070 1.00 0.00 N ATOM 1710 CA LEU A 110 -27.382 19.158 -12.750 1.00 0.00 C ATOM 1711 C LEU A 110 -27.596 18.925 -14.233 1.00 0.00 C ATOM 1712 O LEU A 110 -26.660 18.882 -15.007 1.00 0.00 O ATOM 1713 CB LEU A 110 -26.029 19.843 -12.536 1.00 0.00 C ATOM 1714 CG LEU A 110 -24.924 18.794 -12.651 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -23.832 19.314 -13.586 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -24.323 18.541 -11.267 1.00 0.00 C ATOM 0 H LEU A 110 -26.968 17.099 -12.605 1.00 0.00 H new ATOM 0 HA LEU A 110 -28.181 19.785 -12.356 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.882 20.629 -13.277 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -25.997 20.319 -11.556 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.337 17.867 -13.048 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -23.041 18.569 -13.671 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -24.257 19.506 -14.571 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -23.418 20.238 -13.183 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.534 17.793 -11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -23.906 19.469 -10.876 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -25.100 18.180 -10.593 1.00 0.00 H new ATOM 1728 N ALA A 111 -28.838 18.779 -14.597 1.00 0.00 N ATOM 1729 CA ALA A 111 -29.164 18.546 -16.028 1.00 0.00 C ATOM 1730 C ALA A 111 -29.506 19.855 -16.761 1.00 0.00 C ATOM 1731 O ALA A 111 -28.982 20.125 -17.823 1.00 0.00 O ATOM 1732 CB ALA A 111 -30.375 17.602 -16.102 1.00 0.00 C ATOM 0 H ALA A 111 -29.639 18.811 -13.967 1.00 0.00 H new ATOM 0 HA ALA A 111 -28.290 18.111 -16.513 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -30.630 17.419 -17.146 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -30.130 16.657 -15.617 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -31.225 18.060 -15.596 1.00 0.00 H new ATOM 1738 N PRO A 112 -30.389 20.648 -16.175 1.00 0.00 N ATOM 1739 CA PRO A 112 -30.790 21.914 -16.783 1.00 0.00 C ATOM 1740 C PRO A 112 -29.602 22.859 -16.948 1.00 0.00 C ATOM 1741 O PRO A 112 -28.479 22.510 -16.638 1.00 0.00 O ATOM 1742 CB PRO A 112 -31.814 22.522 -15.800 1.00 0.00 C ATOM 1743 CG PRO A 112 -32.026 21.487 -14.653 1.00 0.00 C ATOM 1744 CD PRO A 112 -31.034 20.336 -14.891 1.00 0.00 C ATOM 0 HA PRO A 112 -31.201 21.760 -17.781 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -31.449 23.468 -15.401 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -32.756 22.732 -16.307 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -31.853 21.949 -13.681 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -33.051 21.117 -14.653 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -30.301 20.274 -14.086 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -31.547 19.375 -14.930 1.00 0.00 H new ATOM 1752 N ALA A 113 -29.876 24.042 -17.439 1.00 0.00 N ATOM 1753 CA ALA A 113 -28.781 25.029 -17.637 1.00 0.00 C ATOM 1754 C ALA A 113 -29.258 26.447 -17.307 1.00 0.00 C ATOM 1755 O ALA A 113 -29.655 27.192 -18.181 1.00 0.00 O ATOM 1756 CB ALA A 113 -28.365 24.987 -19.115 1.00 0.00 C ATOM 0 H ALA A 113 -30.806 24.362 -17.709 1.00 0.00 H new ATOM 0 HA ALA A 113 -27.949 24.778 -16.979 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -27.562 25.703 -19.287 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -28.018 23.985 -19.367 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -29.220 25.243 -19.741 1.00 0.00 H new