USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=22 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 -157:sc= -5.45! (180deg=-6.41!) USER MOD Set 1.2: A 69 TYR OH : rot 100:sc= -0.729 USER MOD Set 2.1: A 43 GLN : amide:sc= -2.52! C(o=-0.091!,f=-6.6!) USER MOD Set 2.2: A 44 SER OG : rot -91:sc= 0.871 USER MOD Set 2.3: A 48 THR OG1 : rot 63:sc= 1.56 USER MOD Single : A 15 THR OG1 : rot 71:sc= 1.01 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-8.2!) USER MOD Single : A 20 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.398 K(o=-0.4,f=1.1) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.0281 (180deg=-0.219) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= -0.948 (180deg=-1.03) USER MOD Single : A 38 SER OG : rot 180:sc= -0.732 USER MOD Single : A 40 HIS : no HD1:sc=-0.00402 X(o=-0.004,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.136 (180deg=-0.611) USER MOD Single : A 54 SER OG : rot -93:sc= 0.00238 USER MOD Single : A 57 ASN : amide:sc= -4.23! C(o=-4.2!,f=-8.8!) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00281 (180deg=-0.138) USER MOD Single : A 60 ASN : amide:sc= -2.55! C(o=-2.5!,f=-2.8!) USER MOD Single : A 61 ASN : amide:sc= -3.93! C(o=-3.9!,f=-13!) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.98! USER MOD Single : A 64 THR OG1 : rot 92:sc= -3.29! USER MOD Single : A 65 ASN : amide:sc= -2.7 K(o=-2.7,f=-1.8) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -79:sc= -6.89! USER MOD Single : A 77 TYR OH : rot 118:sc= -6.8! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 87:sc= 0.427 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.27) USER MOD Single : A 85 ASN : amide:sc= -4.65! C(o=-4.6!,f=-7.4!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.053) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 -0.810 -0.145 -3.779 1.00 0.00 N ATOM 174 CA VAL A 13 -1.097 -1.573 -4.016 1.00 0.00 C ATOM 175 C VAL A 13 0.007 -2.252 -4.786 1.00 0.00 C ATOM 176 O VAL A 13 0.564 -1.698 -5.713 1.00 0.00 O ATOM 177 CB VAL A 13 -2.394 -1.657 -4.833 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.212 -0.891 -6.146 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.710 -3.123 -5.136 1.00 0.00 C ATOM 0 HA VAL A 13 -1.186 -2.077 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.215 -1.220 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.130 -0.947 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.983 0.152 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.393 -1.332 -6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.631 -3.184 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.891 -3.561 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.833 -3.669 -4.201 1.00 0.00 H new ATOM 189 N ASP A 14 0.310 -3.452 -4.379 1.00 0.00 N ATOM 190 CA ASP A 14 1.365 -4.197 -5.066 1.00 0.00 C ATOM 191 C ASP A 14 0.708 -4.924 -6.198 1.00 0.00 C ATOM 192 O ASP A 14 -0.379 -5.442 -6.035 1.00 0.00 O ATOM 193 CB ASP A 14 1.976 -5.214 -4.094 1.00 0.00 C ATOM 194 CG ASP A 14 3.138 -5.934 -4.784 1.00 0.00 C ATOM 195 OD1 ASP A 14 4.218 -5.366 -4.761 1.00 0.00 O ATOM 196 OD2 ASP A 14 2.881 -7.012 -5.294 1.00 0.00 O ATOM 0 H ASP A 14 -0.134 -3.937 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 14 2.153 -3.535 -5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.328 -4.709 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.221 -5.935 -3.780 1.00 0.00 H new ATOM 201 N THR A 15 1.350 -4.966 -7.323 1.00 0.00 N ATOM 202 CA THR A 15 0.725 -5.666 -8.454 1.00 0.00 C ATOM 203 C THR A 15 1.738 -6.383 -9.332 1.00 0.00 C ATOM 204 O THR A 15 2.261 -5.833 -10.279 1.00 0.00 O ATOM 205 CB THR A 15 -0.019 -4.600 -9.265 1.00 0.00 C ATOM 206 OG1 THR A 15 0.984 -3.842 -9.915 1.00 0.00 O ATOM 207 CG2 THR A 15 -0.702 -3.592 -8.310 1.00 0.00 C ATOM 0 H THR A 15 2.265 -4.552 -7.503 1.00 0.00 H new ATOM 0 HA THR A 15 0.055 -6.441 -8.081 1.00 0.00 H new ATOM 0 HB THR A 15 -0.744 -5.073 -9.927 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.396 -4.382 -10.622 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.229 -2.837 -8.894 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.412 -4.119 -7.672 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.053 -3.109 -7.690 1.00 0.00 H new ATOM 215 N ALA A 16 1.991 -7.612 -8.982 1.00 0.00 N ATOM 216 CA ALA A 16 2.958 -8.425 -9.754 1.00 0.00 C ATOM 217 C ALA A 16 2.393 -9.826 -9.960 1.00 0.00 C ATOM 218 O ALA A 16 2.630 -10.718 -9.170 1.00 0.00 O ATOM 219 CB ALA A 16 4.261 -8.526 -8.948 1.00 0.00 C ATOM 0 H ALA A 16 1.564 -8.088 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 16 3.144 -7.962 -10.723 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.986 -9.122 -9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.664 -7.527 -8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.059 -9.001 -7.988 1.00 0.00 H new ATOM 225 N ILE A 17 1.649 -9.994 -11.027 1.00 0.00 N ATOM 226 CA ILE A 17 1.058 -11.321 -11.304 1.00 0.00 C ATOM 227 C ILE A 17 0.750 -11.477 -12.794 1.00 0.00 C ATOM 228 O ILE A 17 1.586 -11.896 -13.570 1.00 0.00 O ATOM 229 CB ILE A 17 -0.261 -11.409 -10.528 1.00 0.00 C ATOM 230 CG1 ILE A 17 -0.741 -10.009 -10.176 1.00 0.00 C ATOM 231 CG2 ILE A 17 -0.031 -12.189 -9.221 1.00 0.00 C ATOM 232 CD1 ILE A 17 -2.015 -10.112 -9.355 1.00 0.00 C ATOM 0 H ILE A 17 1.432 -9.268 -11.709 1.00 0.00 H new ATOM 0 HA ILE A 17 1.758 -12.102 -11.007 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.005 -11.914 -11.144 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.027 -9.479 -9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.924 -9.435 -11.084 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.967 -12.254 -8.666 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.323 -13.193 -9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.714 -11.673 -8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.365 -9.112 -9.099 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.781 -10.627 -9.935 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.815 -10.671 -8.441 1.00 0.00 H new ATOM 244 N TYR A 18 -0.450 -11.134 -13.149 1.00 0.00 N ATOM 245 CA TYR A 18 -0.873 -11.237 -14.560 1.00 0.00 C ATOM 246 C TYR A 18 -0.504 -9.961 -15.304 1.00 0.00 C ATOM 247 O TYR A 18 -0.691 -9.853 -16.497 1.00 0.00 O ATOM 248 CB TYR A 18 -2.390 -11.427 -14.572 1.00 0.00 C ATOM 249 CG TYR A 18 -2.746 -12.599 -13.655 1.00 0.00 C ATOM 250 CD1 TYR A 18 -2.710 -13.894 -14.131 1.00 0.00 C ATOM 251 CD2 TYR A 18 -3.103 -12.379 -12.340 1.00 0.00 C ATOM 252 CE1 TYR A 18 -3.030 -14.952 -13.304 1.00 0.00 C ATOM 253 CE2 TYR A 18 -3.423 -13.437 -11.515 1.00 0.00 C ATOM 254 CZ TYR A 18 -3.389 -14.732 -11.992 1.00 0.00 C ATOM 255 OH TYR A 18 -3.715 -15.791 -11.170 1.00 0.00 O ATOM 0 H TYR A 18 -1.163 -10.782 -12.511 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.378 -12.075 -15.051 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.887 -10.518 -14.233 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.738 -11.622 -15.586 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.430 -14.081 -15.157 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.132 -11.371 -11.954 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.999 -15.961 -13.689 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.702 -13.251 -10.488 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.942 -15.455 -10.278 1.00 0.00 H new ATOM 265 N HIS A 19 -0.028 -9.012 -14.539 1.00 0.00 N ATOM 266 CA HIS A 19 0.395 -7.678 -15.082 1.00 0.00 C ATOM 267 C HIS A 19 1.137 -7.775 -16.435 1.00 0.00 C ATOM 268 O HIS A 19 1.435 -6.769 -17.049 1.00 0.00 O ATOM 269 CB HIS A 19 1.349 -7.057 -14.029 1.00 0.00 C ATOM 270 CG HIS A 19 2.335 -6.090 -14.699 1.00 0.00 C ATOM 271 ND1 HIS A 19 3.243 -6.432 -15.487 1.00 0.00 N ATOM 272 CD2 HIS A 19 2.462 -4.717 -14.567 1.00 0.00 C ATOM 273 CE1 HIS A 19 3.931 -5.436 -15.866 1.00 0.00 C ATOM 274 NE2 HIS A 19 3.507 -4.291 -15.330 1.00 0.00 N ATOM 0 H HIS A 19 0.090 -9.107 -13.530 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.495 -7.075 -15.263 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.770 -6.528 -13.272 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.897 -7.847 -13.516 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.833 -4.085 -13.957 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.767 -5.507 -16.547 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.869 -3.346 -15.458 1.00 0.00 H new ATOM 282 N HIS A 20 1.409 -8.972 -16.863 1.00 0.00 N ATOM 283 CA HIS A 20 2.129 -9.179 -18.158 1.00 0.00 C ATOM 284 C HIS A 20 1.849 -8.085 -19.224 1.00 0.00 C ATOM 285 O HIS A 20 2.704 -7.265 -19.485 1.00 0.00 O ATOM 286 CB HIS A 20 1.654 -10.522 -18.734 1.00 0.00 C ATOM 287 CG HIS A 20 1.995 -11.655 -17.760 1.00 0.00 C ATOM 288 ND1 HIS A 20 3.067 -11.756 -17.131 1.00 0.00 N ATOM 289 CD2 HIS A 20 1.247 -12.758 -17.393 1.00 0.00 C ATOM 290 CE1 HIS A 20 3.086 -12.799 -16.409 1.00 0.00 C ATOM 291 NE2 HIS A 20 1.962 -13.508 -16.509 1.00 0.00 N ATOM 0 H HIS A 20 1.163 -9.830 -16.369 1.00 0.00 H new ATOM 0 HA HIS A 20 3.197 -9.145 -17.943 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.579 -10.493 -18.910 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.130 -10.703 -19.698 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.254 -12.988 -17.750 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.920 -13.081 -15.783 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.705 -14.380 -16.047 1.00 0.00 H new ATOM 299 N LYS A 21 0.665 -8.084 -19.812 1.00 0.00 N ATOM 300 CA LYS A 21 0.371 -7.033 -20.855 1.00 0.00 C ATOM 301 C LYS A 21 -0.395 -5.830 -20.292 1.00 0.00 C ATOM 302 O LYS A 21 0.159 -4.759 -20.135 1.00 0.00 O ATOM 303 CB LYS A 21 -0.485 -7.683 -21.955 1.00 0.00 C ATOM 304 CG LYS A 21 0.248 -8.911 -22.498 1.00 0.00 C ATOM 305 CD LYS A 21 -0.759 -9.823 -23.200 1.00 0.00 C ATOM 306 CE LYS A 21 -0.023 -11.029 -23.784 1.00 0.00 C ATOM 307 NZ LYS A 21 -0.864 -11.705 -24.809 1.00 0.00 N ATOM 0 H LYS A 21 -0.089 -8.744 -19.623 1.00 0.00 H new ATOM 0 HA LYS A 21 1.324 -6.663 -21.234 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.457 -7.972 -21.554 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.670 -6.970 -22.758 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.029 -8.606 -23.195 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.738 -9.447 -21.685 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.521 -10.154 -22.495 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.272 -9.277 -23.991 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.918 -10.707 -24.231 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.226 -11.731 -22.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.350 -12.522 -25.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.750 -12.029 -24.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.080 -11.037 -25.576 1.00 0.00 H new ATOM 321 N LEU A 22 -1.654 -6.032 -20.006 1.00 0.00 N ATOM 322 CA LEU A 22 -2.485 -4.918 -19.453 1.00 0.00 C ATOM 323 C LEU A 22 -3.320 -5.427 -18.309 1.00 0.00 C ATOM 324 O LEU A 22 -4.084 -4.693 -17.707 1.00 0.00 O ATOM 325 CB LEU A 22 -3.408 -4.386 -20.566 1.00 0.00 C ATOM 326 CG LEU A 22 -4.581 -5.344 -20.773 1.00 0.00 C ATOM 327 CD1 LEU A 22 -5.412 -4.853 -21.960 1.00 0.00 C ATOM 328 CD2 LEU A 22 -4.052 -6.748 -21.072 1.00 0.00 C ATOM 0 H LEU A 22 -2.144 -6.918 -20.130 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.837 -4.119 -19.093 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.779 -3.396 -20.301 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.847 -4.278 -21.495 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.195 -5.376 -19.873 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.253 -5.528 -22.119 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.786 -3.850 -21.753 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.790 -4.831 -22.855 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.890 -7.429 -21.219 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.442 -6.722 -21.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.446 -7.094 -20.235 1.00 0.00 H new ATOM 340 N ARG A 23 -3.157 -6.680 -18.019 1.00 0.00 N ATOM 341 CA ARG A 23 -3.923 -7.258 -16.923 1.00 0.00 C ATOM 342 C ARG A 23 -3.588 -6.503 -15.663 1.00 0.00 C ATOM 343 O ARG A 23 -4.287 -6.587 -14.676 1.00 0.00 O ATOM 344 CB ARG A 23 -3.521 -8.739 -16.776 1.00 0.00 C ATOM 345 CG ARG A 23 -4.677 -9.643 -17.242 1.00 0.00 C ATOM 346 CD ARG A 23 -4.100 -10.829 -18.015 1.00 0.00 C ATOM 347 NE ARG A 23 -3.898 -10.434 -19.433 1.00 0.00 N ATOM 348 CZ ARG A 23 -2.787 -10.761 -20.028 1.00 0.00 C ATOM 349 NH1 ARG A 23 -2.569 -12.017 -20.311 1.00 0.00 N ATOM 350 NH2 ARG A 23 -1.927 -9.825 -20.317 1.00 0.00 N ATOM 0 H ARG A 23 -2.524 -7.319 -18.500 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.994 -7.191 -17.113 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.627 -8.943 -17.366 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.273 -8.957 -15.737 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.249 -9.995 -16.384 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.364 -9.080 -17.874 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.154 -11.141 -17.573 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.776 -11.682 -17.955 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.619 -9.914 -19.933 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.263 -12.723 -20.066 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.704 -12.292 -20.777 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.130 -8.855 -20.077 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.051 -10.063 -20.783 1.00 0.00 H new ATOM 364 N ASP A 24 -2.500 -5.767 -15.719 1.00 0.00 N ATOM 365 CA ASP A 24 -2.098 -4.989 -14.539 1.00 0.00 C ATOM 366 C ASP A 24 -3.096 -3.888 -14.345 1.00 0.00 C ATOM 367 O ASP A 24 -3.508 -3.599 -13.251 1.00 0.00 O ATOM 368 CB ASP A 24 -0.720 -4.346 -14.792 1.00 0.00 C ATOM 369 CG ASP A 24 -0.686 -3.755 -16.200 1.00 0.00 C ATOM 370 OD1 ASP A 24 -0.789 -4.547 -17.121 1.00 0.00 O ATOM 371 OD2 ASP A 24 -0.552 -2.546 -16.273 1.00 0.00 O ATOM 0 H ASP A 24 -1.889 -5.682 -16.531 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.050 -5.638 -13.665 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.529 -3.567 -14.054 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.067 -5.091 -14.680 1.00 0.00 H new ATOM 376 N GLN A 25 -3.477 -3.307 -15.444 1.00 0.00 N ATOM 377 CA GLN A 25 -4.452 -2.209 -15.413 1.00 0.00 C ATOM 378 C GLN A 25 -5.768 -2.728 -14.927 1.00 0.00 C ATOM 379 O GLN A 25 -6.520 -2.031 -14.275 1.00 0.00 O ATOM 380 CB GLN A 25 -4.617 -1.694 -16.858 1.00 0.00 C ATOM 381 CG GLN A 25 -3.242 -1.492 -17.488 1.00 0.00 C ATOM 382 CD GLN A 25 -2.660 -0.156 -17.021 1.00 0.00 C ATOM 383 OE1 GLN A 25 -1.571 -0.091 -16.487 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.355 0.932 -17.203 1.00 0.00 N ATOM 0 H GLN A 25 -3.143 -3.558 -16.375 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.114 -1.412 -14.750 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.196 -2.407 -17.445 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.171 -0.755 -16.859 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.577 -2.309 -17.207 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.322 -1.506 -18.575 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.270 0.884 -17.651 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.984 1.832 -16.898 1.00 0.00 H new ATOM 393 N VAL A 26 -6.027 -3.948 -15.249 1.00 0.00 N ATOM 394 CA VAL A 26 -7.283 -4.546 -14.820 1.00 0.00 C ATOM 395 C VAL A 26 -7.229 -4.841 -13.337 1.00 0.00 C ATOM 396 O VAL A 26 -8.052 -4.375 -12.579 1.00 0.00 O ATOM 397 CB VAL A 26 -7.479 -5.843 -15.612 1.00 0.00 C ATOM 398 CG1 VAL A 26 -8.869 -6.391 -15.352 1.00 0.00 C ATOM 399 CG2 VAL A 26 -7.324 -5.538 -17.105 1.00 0.00 C ATOM 0 H VAL A 26 -5.415 -4.555 -15.794 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.115 -3.865 -15.002 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.738 -6.580 -15.303 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.008 -7.314 -15.916 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.987 -6.595 -14.288 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.613 -5.659 -15.665 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.461 -6.454 -17.680 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.072 -4.805 -17.406 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.328 -5.138 -17.293 1.00 0.00 H new ATOM 409 N LEU A 27 -6.255 -5.596 -12.941 1.00 0.00 N ATOM 410 CA LEU A 27 -6.138 -5.922 -11.507 1.00 0.00 C ATOM 411 C LEU A 27 -5.894 -4.647 -10.710 1.00 0.00 C ATOM 412 O LEU A 27 -6.030 -4.629 -9.501 1.00 0.00 O ATOM 413 CB LEU A 27 -4.931 -6.865 -11.312 1.00 0.00 C ATOM 414 CG LEU A 27 -5.385 -8.326 -11.451 1.00 0.00 C ATOM 415 CD1 LEU A 27 -4.391 -9.076 -12.346 1.00 0.00 C ATOM 416 CD2 LEU A 27 -5.407 -8.990 -10.070 1.00 0.00 C ATOM 0 H LEU A 27 -5.539 -5.999 -13.545 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.056 -6.398 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.161 -6.642 -12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.487 -6.704 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.383 -8.357 -11.889 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.706 -10.114 -12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.360 -8.606 -13.329 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.399 -9.041 -11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.729 -10.026 -10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.407 -8.961 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.100 -8.456 -9.420 1.00 0.00 H new ATOM 428 N LYS A 28 -5.547 -3.589 -11.407 1.00 0.00 N ATOM 429 CA LYS A 28 -5.292 -2.308 -10.696 1.00 0.00 C ATOM 430 C LYS A 28 -6.583 -1.564 -10.473 1.00 0.00 C ATOM 431 O LYS A 28 -6.895 -1.174 -9.369 1.00 0.00 O ATOM 432 CB LYS A 28 -4.362 -1.425 -11.548 1.00 0.00 C ATOM 433 CG LYS A 28 -2.908 -1.701 -11.156 1.00 0.00 C ATOM 434 CD LYS A 28 -1.979 -0.954 -12.117 1.00 0.00 C ATOM 435 CE LYS A 28 -0.698 -0.566 -11.378 1.00 0.00 C ATOM 436 NZ LYS A 28 -0.960 0.561 -10.441 1.00 0.00 N ATOM 0 H LYS A 28 -5.432 -3.562 -12.420 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.830 -2.532 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.512 -1.634 -12.607 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.599 -0.372 -11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.727 -1.378 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.705 -2.771 -11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.742 -1.583 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.475 -0.063 -12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.315 -1.424 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.071 -0.279 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.071 1.064 -10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.643 1.218 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.350 0.189 -9.551 1.00 0.00 H new ATOM 450 N ALA A 29 -7.323 -1.377 -11.525 1.00 0.00 N ATOM 451 CA ALA A 29 -8.603 -0.654 -11.374 1.00 0.00 C ATOM 452 C ALA A 29 -9.571 -1.468 -10.527 1.00 0.00 C ATOM 453 O ALA A 29 -10.395 -0.925 -9.822 1.00 0.00 O ATOM 454 CB ALA A 29 -9.216 -0.440 -12.767 1.00 0.00 C ATOM 0 H ALA A 29 -7.099 -1.690 -12.470 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.421 0.303 -10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.162 0.093 -12.670 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.531 0.145 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.391 -1.406 -13.240 1.00 0.00 H new ATOM 460 N LEU A 30 -9.439 -2.762 -10.589 1.00 0.00 N ATOM 461 CA LEU A 30 -10.341 -3.618 -9.798 1.00 0.00 C ATOM 462 C LEU A 30 -9.957 -3.593 -8.338 1.00 0.00 C ATOM 463 O LEU A 30 -10.799 -3.567 -7.462 1.00 0.00 O ATOM 464 CB LEU A 30 -10.197 -5.049 -10.317 1.00 0.00 C ATOM 465 CG LEU A 30 -10.730 -5.109 -11.743 1.00 0.00 C ATOM 466 CD1 LEU A 30 -10.268 -6.405 -12.401 1.00 0.00 C ATOM 467 CD2 LEU A 30 -12.252 -5.064 -11.713 1.00 0.00 C ATOM 0 H LEU A 30 -8.747 -3.255 -11.153 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.365 -3.257 -9.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.152 -5.357 -10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.748 -5.739 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.353 -4.260 -12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.648 -6.450 -13.422 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.179 -6.436 -12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.647 -7.256 -11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.637 -5.107 -12.732 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.630 -5.915 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.579 -4.138 -11.240 1.00 0.00 H new ATOM 479 N TYR A 31 -8.692 -3.575 -8.098 1.00 0.00 N ATOM 480 CA TYR A 31 -8.226 -3.553 -6.710 1.00 0.00 C ATOM 481 C TYR A 31 -8.300 -2.165 -6.072 1.00 0.00 C ATOM 482 O TYR A 31 -8.901 -1.989 -5.034 1.00 0.00 O ATOM 483 CB TYR A 31 -6.766 -3.999 -6.709 1.00 0.00 C ATOM 484 CG TYR A 31 -6.239 -3.941 -5.290 1.00 0.00 C ATOM 485 CD1 TYR A 31 -5.816 -2.746 -4.750 1.00 0.00 C ATOM 486 CD2 TYR A 31 -6.194 -5.077 -4.520 1.00 0.00 C ATOM 487 CE1 TYR A 31 -5.356 -2.690 -3.458 1.00 0.00 C ATOM 488 CE2 TYR A 31 -5.736 -5.025 -3.227 1.00 0.00 C ATOM 489 CZ TYR A 31 -5.312 -3.830 -2.683 1.00 0.00 C ATOM 490 OH TYR A 31 -4.852 -3.777 -1.385 1.00 0.00 O ATOM 0 H TYR A 31 -7.959 -3.575 -8.808 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.872 -4.211 -6.129 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.681 -5.012 -7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.174 -3.354 -7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.847 -1.847 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.522 -6.019 -4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.027 -1.748 -3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.707 -5.926 -2.632 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.892 -4.672 -0.987 1.00 0.00 H new ATOM 500 N ASP A 32 -7.702 -1.214 -6.713 1.00 0.00 N ATOM 501 CA ASP A 32 -7.712 0.171 -6.169 1.00 0.00 C ATOM 502 C ASP A 32 -9.110 0.765 -6.056 1.00 0.00 C ATOM 503 O ASP A 32 -9.343 1.621 -5.225 1.00 0.00 O ATOM 504 CB ASP A 32 -6.880 1.053 -7.108 1.00 0.00 C ATOM 505 CG ASP A 32 -6.478 2.334 -6.375 1.00 0.00 C ATOM 506 OD1 ASP A 32 -7.374 3.128 -6.141 1.00 0.00 O ATOM 507 OD2 ASP A 32 -5.297 2.445 -6.091 1.00 0.00 O ATOM 0 H ASP A 32 -7.203 -1.331 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.301 0.133 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.991 0.515 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.455 1.297 -8.001 1.00 0.00 H new ATOM 512 N VAL A 33 -10.018 0.326 -6.873 1.00 0.00 N ATOM 513 CA VAL A 33 -11.374 0.897 -6.775 1.00 0.00 C ATOM 514 C VAL A 33 -12.173 0.226 -5.678 1.00 0.00 C ATOM 515 O VAL A 33 -12.850 0.887 -4.915 1.00 0.00 O ATOM 516 CB VAL A 33 -12.085 0.706 -8.112 1.00 0.00 C ATOM 517 CG1 VAL A 33 -13.484 1.307 -8.013 1.00 0.00 C ATOM 518 CG2 VAL A 33 -11.297 1.441 -9.196 1.00 0.00 C ATOM 0 H VAL A 33 -9.882 -0.388 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.292 1.957 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.153 -0.354 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.004 1.177 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.041 0.804 -7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.408 2.370 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.794 1.313 -10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.246 2.502 -8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.288 1.033 -9.252 1.00 0.00 H new ATOM 528 N LEU A 34 -12.096 -1.070 -5.611 1.00 0.00 N ATOM 529 CA LEU A 34 -12.858 -1.768 -4.554 1.00 0.00 C ATOM 530 C LEU A 34 -12.111 -1.745 -3.226 1.00 0.00 C ATOM 531 O LEU A 34 -12.692 -1.970 -2.182 1.00 0.00 O ATOM 532 CB LEU A 34 -13.051 -3.219 -4.971 1.00 0.00 C ATOM 533 CG LEU A 34 -13.536 -3.262 -6.407 1.00 0.00 C ATOM 534 CD1 LEU A 34 -13.515 -4.716 -6.896 1.00 0.00 C ATOM 535 CD2 LEU A 34 -14.965 -2.720 -6.476 1.00 0.00 C ATOM 0 H LEU A 34 -11.548 -1.665 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.814 -1.261 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.113 -3.766 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.773 -3.706 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.888 -2.652 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.862 -4.758 -7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.498 -5.104 -6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.170 -5.320 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.316 -2.750 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.617 -3.332 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.982 -1.691 -6.117 1.00 0.00 H new ATOM 547 N ALA A 35 -10.837 -1.479 -3.283 1.00 0.00 N ATOM 548 CA ALA A 35 -10.053 -1.441 -2.027 1.00 0.00 C ATOM 549 C ALA A 35 -10.255 -0.123 -1.287 1.00 0.00 C ATOM 550 O ALA A 35 -10.882 -0.080 -0.248 1.00 0.00 O ATOM 551 CB ALA A 35 -8.564 -1.581 -2.379 1.00 0.00 C ATOM 0 H ALA A 35 -10.312 -1.289 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.387 -2.254 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.970 -1.555 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.399 -2.528 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.265 -0.759 -3.029 1.00 0.00 H new ATOM 557 N LYS A 36 -9.721 0.926 -1.839 1.00 0.00 N ATOM 558 CA LYS A 36 -9.866 2.254 -1.187 1.00 0.00 C ATOM 559 C LYS A 36 -11.286 2.474 -0.692 1.00 0.00 C ATOM 560 O LYS A 36 -11.501 3.060 0.350 1.00 0.00 O ATOM 561 CB LYS A 36 -9.539 3.337 -2.223 1.00 0.00 C ATOM 562 CG LYS A 36 -9.539 4.707 -1.540 1.00 0.00 C ATOM 563 CD LYS A 36 -8.574 5.632 -2.285 1.00 0.00 C ATOM 564 CE LYS A 36 -8.581 7.015 -1.628 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.643 7.100 -0.587 1.00 0.00 N ATOM 0 H LYS A 36 -9.192 0.923 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.190 2.300 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.566 3.143 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.273 3.319 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.544 5.130 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.237 4.608 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.567 5.215 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.867 5.714 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.608 7.214 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.745 7.782 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.641 8.051 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.570 6.915 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.460 6.393 0.154 1.00 0.00 H new ATOM 579 N GLU A 37 -12.231 2.003 -1.447 1.00 0.00 N ATOM 580 CA GLU A 37 -13.643 2.177 -1.039 1.00 0.00 C ATOM 581 C GLU A 37 -13.836 1.859 0.436 1.00 0.00 C ATOM 582 O GLU A 37 -14.080 2.736 1.238 1.00 0.00 O ATOM 583 CB GLU A 37 -14.500 1.210 -1.865 1.00 0.00 C ATOM 584 CG GLU A 37 -15.975 1.565 -1.677 1.00 0.00 C ATOM 585 CD GLU A 37 -16.814 0.795 -2.696 1.00 0.00 C ATOM 586 OE1 GLU A 37 -16.617 -0.406 -2.762 1.00 0.00 O ATOM 587 OE2 GLU A 37 -17.604 1.454 -3.353 1.00 0.00 O ATOM 0 H GLU A 37 -12.087 1.507 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.934 3.214 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.229 1.274 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.317 0.183 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.294 1.317 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.122 2.638 -1.804 1.00 0.00 H new ATOM 594 N SER A 38 -13.726 0.608 0.765 1.00 0.00 N ATOM 595 CA SER A 38 -13.901 0.202 2.178 1.00 0.00 C ATOM 596 C SER A 38 -13.074 -1.034 2.483 1.00 0.00 C ATOM 597 O SER A 38 -13.070 -1.982 1.724 1.00 0.00 O ATOM 598 CB SER A 38 -15.377 -0.117 2.388 1.00 0.00 C ATOM 599 OG SER A 38 -16.056 0.972 1.778 1.00 0.00 O ATOM 0 H SER A 38 -13.522 -0.151 0.115 1.00 0.00 H new ATOM 0 HA SER A 38 -13.574 1.005 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.650 -1.066 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.621 -0.196 3.447 1.00 0.00 H new ATOM 0 HG SER A 38 -17.024 0.845 1.867 1.00 0.00 H new ATOM 605 N GLU A 39 -12.387 -1.002 3.589 1.00 0.00 N ATOM 606 CA GLU A 39 -11.549 -2.166 3.966 1.00 0.00 C ATOM 607 C GLU A 39 -12.269 -3.111 4.928 1.00 0.00 C ATOM 608 O GLU A 39 -11.792 -4.199 5.185 1.00 0.00 O ATOM 609 CB GLU A 39 -10.290 -1.634 4.662 1.00 0.00 C ATOM 610 CG GLU A 39 -9.663 -0.538 3.801 1.00 0.00 C ATOM 611 CD GLU A 39 -8.455 0.048 4.533 1.00 0.00 C ATOM 612 OE1 GLU A 39 -8.682 0.963 5.307 1.00 0.00 O ATOM 613 OE2 GLU A 39 -7.373 -0.456 4.279 1.00 0.00 O ATOM 0 H GLU A 39 -12.371 -0.221 4.245 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.314 -2.727 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.544 -1.239 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.577 -2.443 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.357 -0.946 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.394 0.244 3.597 1.00 0.00 H new ATOM 620 N HIS A 40 -13.404 -2.693 5.444 1.00 0.00 N ATOM 621 CA HIS A 40 -14.137 -3.594 6.398 1.00 0.00 C ATOM 622 C HIS A 40 -15.204 -4.447 5.698 1.00 0.00 C ATOM 623 O HIS A 40 -15.403 -5.597 6.043 1.00 0.00 O ATOM 624 CB HIS A 40 -14.825 -2.732 7.484 1.00 0.00 C ATOM 625 CG HIS A 40 -14.538 -3.326 8.869 1.00 0.00 C ATOM 626 ND1 HIS A 40 -15.408 -3.776 9.646 1.00 0.00 N ATOM 627 CD2 HIS A 40 -13.336 -3.486 9.530 1.00 0.00 C ATOM 628 CE1 HIS A 40 -14.895 -4.202 10.724 1.00 0.00 C ATOM 629 NE2 HIS A 40 -13.569 -4.059 10.745 1.00 0.00 N ATOM 0 H HIS A 40 -13.845 -1.793 5.254 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.403 -4.270 6.836 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.460 -1.706 7.434 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -15.900 -2.697 7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.367 -3.203 9.146 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.466 -4.632 11.533 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.905 -4.312 11.477 1.00 0.00 H new ATOM 637 N PRO A 41 -15.897 -3.853 4.743 1.00 0.00 N ATOM 638 CA PRO A 41 -16.943 -4.552 3.998 1.00 0.00 C ATOM 639 C PRO A 41 -16.545 -5.000 2.538 1.00 0.00 C ATOM 640 O PRO A 41 -17.409 -5.121 1.691 1.00 0.00 O ATOM 641 CB PRO A 41 -18.026 -3.454 3.874 1.00 0.00 C ATOM 642 CG PRO A 41 -17.280 -2.084 4.055 1.00 0.00 C ATOM 643 CD PRO A 41 -15.830 -2.428 4.473 1.00 0.00 C ATOM 0 HA PRO A 41 -17.217 -5.477 4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.521 -3.503 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -18.798 -3.581 4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.291 -1.510 3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.768 -1.473 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.117 -2.201 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.519 -1.865 5.353 1.00 0.00 H new ATOM 651 N PRO A 42 -15.263 -5.254 2.257 1.00 0.00 N ATOM 652 CA PRO A 42 -14.876 -5.671 0.907 1.00 0.00 C ATOM 653 C PRO A 42 -15.566 -6.973 0.500 1.00 0.00 C ATOM 654 O PRO A 42 -15.611 -7.921 1.258 1.00 0.00 O ATOM 655 CB PRO A 42 -13.355 -5.891 0.971 1.00 0.00 C ATOM 656 CG PRO A 42 -12.900 -5.554 2.419 1.00 0.00 C ATOM 657 CD PRO A 42 -14.159 -5.163 3.217 1.00 0.00 C ATOM 0 HA PRO A 42 -15.165 -4.921 0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.105 -6.922 0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.844 -5.254 0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.407 -6.412 2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.179 -4.737 2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.315 -5.834 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.071 -4.155 3.623 1.00 0.00 H new ATOM 665 N GLN A 43 -16.090 -6.984 -0.695 1.00 0.00 N ATOM 666 CA GLN A 43 -16.784 -8.201 -1.189 1.00 0.00 C ATOM 667 C GLN A 43 -15.793 -9.322 -1.476 1.00 0.00 C ATOM 668 O GLN A 43 -16.198 -10.424 -1.750 1.00 0.00 O ATOM 669 CB GLN A 43 -17.502 -7.840 -2.499 1.00 0.00 C ATOM 670 CG GLN A 43 -16.637 -6.845 -3.278 1.00 0.00 C ATOM 671 CD GLN A 43 -17.139 -6.749 -4.723 1.00 0.00 C ATOM 672 OE1 GLN A 43 -17.911 -5.874 -5.066 1.00 0.00 O ATOM 673 NE2 GLN A 43 -16.726 -7.625 -5.600 1.00 0.00 N ATOM 0 H GLN A 43 -16.066 -6.201 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 43 -17.484 -8.544 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.675 -8.737 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -18.479 -7.405 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.675 -5.865 -2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.595 -7.165 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.079 -8.361 -5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.051 -7.572 -6.565 1.00 0.00 H new ATOM 682 N SER A 44 -14.505 -8.968 -1.411 1.00 0.00 N ATOM 683 CA SER A 44 -13.355 -9.941 -1.667 1.00 0.00 C ATOM 684 C SER A 44 -12.586 -9.484 -2.874 1.00 0.00 C ATOM 685 O SER A 44 -12.435 -10.209 -3.832 1.00 0.00 O ATOM 686 CB SER A 44 -13.845 -11.386 -1.923 1.00 0.00 C ATOM 687 OG SER A 44 -14.539 -11.313 -3.164 1.00 0.00 O ATOM 0 H SER A 44 -14.198 -8.022 -1.186 1.00 0.00 H new ATOM 0 HA SER A 44 -12.733 -9.949 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.010 -12.085 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.499 -11.731 -1.122 1.00 0.00 H new ATOM 0 HG SER A 44 -15.486 -11.120 -2.999 1.00 0.00 H new ATOM 693 N ILE A 45 -12.112 -8.273 -2.800 1.00 0.00 N ATOM 694 CA ILE A 45 -11.338 -7.711 -3.924 1.00 0.00 C ATOM 695 C ILE A 45 -10.420 -8.739 -4.531 1.00 0.00 C ATOM 696 O ILE A 45 -10.448 -8.980 -5.721 1.00 0.00 O ATOM 697 CB ILE A 45 -10.464 -6.573 -3.397 1.00 0.00 C ATOM 698 CG1 ILE A 45 -11.218 -5.738 -2.356 1.00 0.00 C ATOM 699 CG2 ILE A 45 -10.077 -5.679 -4.584 1.00 0.00 C ATOM 700 CD1 ILE A 45 -12.676 -5.564 -2.780 1.00 0.00 C ATOM 0 H ILE A 45 -12.232 -7.650 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.044 -7.368 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.578 -6.990 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.170 -6.226 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.744 -4.763 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.452 -4.858 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.525 -6.267 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.979 -5.277 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.203 -4.969 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.717 -5.056 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.149 -6.542 -2.865 1.00 0.00 H new ATOM 712 N LEU A 46 -9.623 -9.336 -3.708 1.00 0.00 N ATOM 713 CA LEU A 46 -8.694 -10.352 -4.227 1.00 0.00 C ATOM 714 C LEU A 46 -9.443 -11.419 -5.005 1.00 0.00 C ATOM 715 O LEU A 46 -9.149 -11.676 -6.149 1.00 0.00 O ATOM 716 CB LEU A 46 -7.979 -11.012 -3.036 1.00 0.00 C ATOM 717 CG LEU A 46 -6.471 -11.066 -3.308 1.00 0.00 C ATOM 718 CD1 LEU A 46 -6.207 -11.908 -4.560 1.00 0.00 C ATOM 719 CD2 LEU A 46 -5.946 -9.648 -3.532 1.00 0.00 C ATOM 0 H LEU A 46 -9.575 -9.165 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.978 -9.873 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.174 -10.448 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.367 -12.018 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.963 -11.515 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.135 -11.946 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.584 -12.919 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.714 -11.459 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.874 -9.683 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.455 -9.203 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.135 -9.046 -2.643 1.00 0.00 H new ATOM 731 N HIS A 47 -10.414 -12.002 -4.368 1.00 0.00 N ATOM 732 CA HIS A 47 -11.209 -13.065 -5.041 1.00 0.00 C ATOM 733 C HIS A 47 -12.153 -12.499 -6.091 1.00 0.00 C ATOM 734 O HIS A 47 -12.732 -13.240 -6.860 1.00 0.00 O ATOM 735 CB HIS A 47 -12.048 -13.771 -3.962 1.00 0.00 C ATOM 736 CG HIS A 47 -12.318 -15.220 -4.379 1.00 0.00 C ATOM 737 ND1 HIS A 47 -13.444 -15.681 -4.663 1.00 0.00 N ATOM 738 CD2 HIS A 47 -11.441 -16.278 -4.520 1.00 0.00 C ATOM 739 CE1 HIS A 47 -13.380 -16.910 -4.969 1.00 0.00 C ATOM 740 NE2 HIS A 47 -12.136 -17.385 -4.906 1.00 0.00 N ATOM 0 H HIS A 47 -10.693 -11.790 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.523 -13.746 -5.544 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.522 -13.750 -3.008 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.991 -13.243 -3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.375 -16.235 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.237 -17.505 -5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -11.795 -18.327 -5.096 1.00 0.00 H new ATOM 748 N THR A 48 -12.295 -11.212 -6.114 1.00 0.00 N ATOM 749 CA THR A 48 -13.203 -10.610 -7.115 1.00 0.00 C ATOM 750 C THR A 48 -12.455 -10.288 -8.391 1.00 0.00 C ATOM 751 O THR A 48 -12.762 -10.812 -9.444 1.00 0.00 O ATOM 752 CB THR A 48 -13.775 -9.314 -6.538 1.00 0.00 C ATOM 753 OG1 THR A 48 -14.658 -9.718 -5.512 1.00 0.00 O ATOM 754 CG2 THR A 48 -14.671 -8.611 -7.567 1.00 0.00 C ATOM 0 H THR A 48 -11.827 -10.555 -5.490 1.00 0.00 H new ATOM 0 HA THR A 48 -13.999 -11.318 -7.344 1.00 0.00 H new ATOM 0 HB THR A 48 -12.963 -8.657 -6.226 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.155 -10.183 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.068 -7.692 -7.136 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.087 -8.373 -8.456 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.496 -9.269 -7.841 1.00 0.00 H new ATOM 762 N ALA A 49 -11.486 -9.437 -8.280 1.00 0.00 N ATOM 763 CA ALA A 49 -10.711 -9.070 -9.476 1.00 0.00 C ATOM 764 C ALA A 49 -9.988 -10.279 -10.059 1.00 0.00 C ATOM 765 O ALA A 49 -9.640 -10.286 -11.223 1.00 0.00 O ATOM 766 CB ALA A 49 -9.673 -8.015 -9.075 1.00 0.00 C ATOM 0 H ALA A 49 -11.200 -8.982 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.394 -8.683 -10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.088 -7.730 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.182 -7.137 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.011 -8.427 -8.314 1.00 0.00 H new ATOM 772 N LYS A 50 -9.770 -11.292 -9.249 1.00 0.00 N ATOM 773 CA LYS A 50 -9.064 -12.495 -9.783 1.00 0.00 C ATOM 774 C LYS A 50 -9.987 -13.382 -10.612 1.00 0.00 C ATOM 775 O LYS A 50 -9.541 -14.053 -11.523 1.00 0.00 O ATOM 776 CB LYS A 50 -8.547 -13.329 -8.610 1.00 0.00 C ATOM 777 CG LYS A 50 -7.204 -12.764 -8.142 1.00 0.00 C ATOM 778 CD LYS A 50 -6.567 -13.744 -7.156 1.00 0.00 C ATOM 779 CE LYS A 50 -6.197 -15.033 -7.897 1.00 0.00 C ATOM 780 NZ LYS A 50 -7.140 -16.129 -7.542 1.00 0.00 N ATOM 0 H LYS A 50 -10.044 -11.336 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.253 -12.142 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.267 -13.312 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.432 -14.370 -8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.544 -12.606 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.349 -11.793 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.678 -13.301 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.260 -13.963 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.220 -14.860 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.178 -15.326 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.231 -16.783 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.777 -16.645 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.072 -15.726 -7.317 1.00 0.00 H new ATOM 794 N ALA A 51 -11.254 -13.374 -10.291 1.00 0.00 N ATOM 795 CA ALA A 51 -12.202 -14.226 -11.062 1.00 0.00 C ATOM 796 C ALA A 51 -12.882 -13.461 -12.203 1.00 0.00 C ATOM 797 O ALA A 51 -13.514 -14.058 -13.051 1.00 0.00 O ATOM 798 CB ALA A 51 -13.282 -14.727 -10.092 1.00 0.00 C ATOM 0 H ALA A 51 -11.668 -12.822 -9.539 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.640 -15.046 -11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.992 -15.355 -10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.815 -15.307 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.807 -13.875 -9.660 1.00 0.00 H new ATOM 804 N ILE A 52 -12.743 -12.162 -12.207 1.00 0.00 N ATOM 805 CA ILE A 52 -13.385 -11.361 -13.292 1.00 0.00 C ATOM 806 C ILE A 52 -12.407 -11.074 -14.431 1.00 0.00 C ATOM 807 O ILE A 52 -12.719 -11.274 -15.581 1.00 0.00 O ATOM 808 CB ILE A 52 -13.851 -10.026 -12.684 1.00 0.00 C ATOM 809 CG1 ILE A 52 -15.294 -10.156 -12.222 1.00 0.00 C ATOM 810 CG2 ILE A 52 -13.785 -8.920 -13.758 1.00 0.00 C ATOM 811 CD1 ILE A 52 -15.345 -11.055 -10.987 1.00 0.00 C ATOM 0 H ILE A 52 -12.220 -11.625 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 52 -14.221 -11.927 -13.702 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.206 -9.774 -11.842 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.704 -9.173 -11.989 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.907 -10.577 -13.019 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.115 -7.975 -13.327 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.760 -8.819 -14.113 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.434 -9.184 -14.593 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.377 -11.153 -10.650 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.950 -12.040 -11.237 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.744 -10.615 -10.191 1.00 0.00 H new ATOM 823 N GLU A 53 -11.254 -10.599 -14.083 1.00 0.00 N ATOM 824 CA GLU A 53 -10.236 -10.288 -15.120 1.00 0.00 C ATOM 825 C GLU A 53 -10.027 -11.449 -16.106 1.00 0.00 C ATOM 826 O GLU A 53 -9.342 -11.296 -17.098 1.00 0.00 O ATOM 827 CB GLU A 53 -8.905 -9.999 -14.407 1.00 0.00 C ATOM 828 CG GLU A 53 -8.409 -11.281 -13.734 1.00 0.00 C ATOM 829 CD GLU A 53 -7.680 -12.141 -14.766 1.00 0.00 C ATOM 830 OE1 GLU A 53 -6.632 -11.692 -15.201 1.00 0.00 O ATOM 831 OE2 GLU A 53 -8.211 -13.197 -15.062 1.00 0.00 O ATOM 0 H GLU A 53 -10.968 -10.410 -13.122 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.586 -9.430 -15.695 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.165 -9.640 -15.122 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.039 -9.212 -13.665 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.740 -11.037 -12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.249 -11.833 -13.312 1.00 0.00 H new ATOM 838 N SER A 54 -10.615 -12.583 -15.826 1.00 0.00 N ATOM 839 CA SER A 54 -10.436 -13.744 -16.756 1.00 0.00 C ATOM 840 C SER A 54 -11.515 -13.804 -17.853 1.00 0.00 C ATOM 841 O SER A 54 -11.358 -14.519 -18.825 1.00 0.00 O ATOM 842 CB SER A 54 -10.515 -15.037 -15.929 1.00 0.00 C ATOM 843 OG SER A 54 -11.905 -15.222 -15.707 1.00 0.00 O ATOM 0 H SER A 54 -11.202 -12.757 -15.010 1.00 0.00 H new ATOM 0 HA SER A 54 -9.471 -13.627 -17.250 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.081 -15.881 -16.466 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.970 -14.943 -14.990 1.00 0.00 H new ATOM 0 HG SER A 54 -12.158 -14.810 -14.855 1.00 0.00 H new ATOM 849 N GLU A 55 -12.580 -13.063 -17.684 1.00 0.00 N ATOM 850 CA GLU A 55 -13.661 -13.087 -18.720 1.00 0.00 C ATOM 851 C GLU A 55 -13.530 -11.953 -19.725 1.00 0.00 C ATOM 852 O GLU A 55 -13.303 -12.181 -20.892 1.00 0.00 O ATOM 853 CB GLU A 55 -15.016 -12.950 -18.010 1.00 0.00 C ATOM 854 CG GLU A 55 -16.134 -13.243 -19.009 1.00 0.00 C ATOM 855 CD GLU A 55 -17.486 -13.140 -18.302 1.00 0.00 C ATOM 856 OE1 GLU A 55 -17.721 -13.990 -17.459 1.00 0.00 O ATOM 857 OE2 GLU A 55 -18.207 -12.219 -18.647 1.00 0.00 O ATOM 0 H GLU A 55 -12.749 -12.450 -16.886 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.579 -14.027 -19.265 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.072 -13.641 -17.169 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.128 -11.945 -17.604 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.090 -12.537 -19.838 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.007 -14.240 -19.432 1.00 0.00 H new ATOM 864 N MET A 56 -13.701 -10.758 -19.262 1.00 0.00 N ATOM 865 CA MET A 56 -13.590 -9.599 -20.180 1.00 0.00 C ATOM 866 C MET A 56 -12.266 -9.619 -20.930 1.00 0.00 C ATOM 867 O MET A 56 -12.104 -8.935 -21.923 1.00 0.00 O ATOM 868 CB MET A 56 -13.652 -8.308 -19.340 1.00 0.00 C ATOM 869 CG MET A 56 -13.404 -8.652 -17.868 1.00 0.00 C ATOM 870 SD MET A 56 -13.170 -7.273 -16.719 1.00 0.00 S ATOM 871 CE MET A 56 -11.549 -6.735 -17.321 1.00 0.00 C ATOM 0 H MET A 56 -13.912 -10.530 -18.291 1.00 0.00 H new ATOM 0 HA MET A 56 -14.404 -9.645 -20.904 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.905 -7.596 -19.690 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.625 -7.831 -19.455 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.247 -9.246 -17.514 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.521 -9.288 -17.815 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.033 -6.185 -16.534 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.958 -7.606 -17.602 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.679 -6.089 -18.190 1.00 0.00 H new ATOM 881 N ASN A 57 -11.344 -10.406 -20.442 1.00 0.00 N ATOM 882 CA ASN A 57 -10.012 -10.484 -21.110 1.00 0.00 C ATOM 883 C ASN A 57 -9.874 -11.689 -22.051 1.00 0.00 C ATOM 884 O ASN A 57 -8.877 -11.797 -22.737 1.00 0.00 O ATOM 885 CB ASN A 57 -8.935 -10.569 -20.029 1.00 0.00 C ATOM 886 CG ASN A 57 -8.680 -12.041 -19.683 1.00 0.00 C ATOM 887 OD1 ASN A 57 -9.595 -12.789 -19.407 1.00 0.00 O ATOM 888 ND2 ASN A 57 -7.457 -12.496 -19.700 1.00 0.00 N ATOM 0 H ASN A 57 -11.454 -10.994 -19.616 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.901 -9.591 -21.724 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.015 -10.101 -20.379 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.252 -10.024 -19.140 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.274 -13.476 -19.482 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.684 -11.872 -19.931 1.00 0.00 H new ATOM 895 N LYS A 58 -10.860 -12.585 -22.049 1.00 0.00 N ATOM 896 CA LYS A 58 -10.774 -13.791 -22.955 1.00 0.00 C ATOM 897 C LYS A 58 -10.035 -13.415 -24.223 1.00 0.00 C ATOM 898 O LYS A 58 -8.905 -13.815 -24.425 1.00 0.00 O ATOM 899 CB LYS A 58 -12.209 -14.215 -23.317 1.00 0.00 C ATOM 900 CG LYS A 58 -12.218 -15.682 -23.749 1.00 0.00 C ATOM 901 CD LYS A 58 -13.614 -16.034 -24.269 1.00 0.00 C ATOM 902 CE LYS A 58 -13.610 -17.469 -24.802 1.00 0.00 C ATOM 903 NZ LYS A 58 -12.879 -17.542 -26.097 1.00 0.00 N ATOM 0 H LYS A 58 -11.699 -12.531 -21.471 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.246 -14.604 -22.457 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.868 -14.074 -22.460 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.593 -13.587 -24.121 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.472 -15.851 -24.526 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.955 -16.325 -22.909 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.348 -15.933 -23.470 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.905 -15.342 -25.059 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.141 -18.132 -24.075 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.634 -17.816 -24.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.069 -18.458 -26.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.199 -16.773 -26.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.858 -17.446 -25.925 1.00 0.00 H new ATOM 917 N VAL A 59 -10.674 -12.657 -25.054 1.00 0.00 N ATOM 918 CA VAL A 59 -10.007 -12.245 -26.300 1.00 0.00 C ATOM 919 C VAL A 59 -10.721 -11.035 -26.876 1.00 0.00 C ATOM 920 O VAL A 59 -11.497 -11.129 -27.806 1.00 0.00 O ATOM 921 CB VAL A 59 -10.061 -13.411 -27.305 1.00 0.00 C ATOM 922 CG1 VAL A 59 -11.519 -13.727 -27.647 1.00 0.00 C ATOM 923 CG2 VAL A 59 -9.315 -13.009 -28.582 1.00 0.00 C ATOM 0 H VAL A 59 -11.623 -12.308 -24.924 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.968 -11.985 -26.099 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.594 -14.293 -26.867 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.555 -14.552 -28.358 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.053 -14.007 -26.739 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.988 -12.847 -28.088 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.350 -13.831 -29.298 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.787 -12.128 -29.017 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.277 -12.782 -28.341 1.00 0.00 H new ATOM 933 N ASN A 60 -10.437 -9.920 -26.282 1.00 0.00 N ATOM 934 CA ASN A 60 -11.042 -8.652 -26.721 1.00 0.00 C ATOM 935 C ASN A 60 -10.212 -7.515 -26.186 1.00 0.00 C ATOM 936 O ASN A 60 -10.375 -6.372 -26.555 1.00 0.00 O ATOM 937 CB ASN A 60 -12.455 -8.540 -26.120 1.00 0.00 C ATOM 938 CG ASN A 60 -13.374 -9.569 -26.783 1.00 0.00 C ATOM 939 OD1 ASN A 60 -13.660 -10.611 -26.225 1.00 0.00 O ATOM 940 ND2 ASN A 60 -13.856 -9.318 -27.968 1.00 0.00 N ATOM 0 H ASN A 60 -9.796 -9.836 -25.493 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.088 -8.617 -27.809 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.419 -8.709 -25.044 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.848 -7.535 -26.272 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.470 -9.994 -28.423 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.619 -8.446 -28.441 1.00 0.00 H new ATOM 947 N ASN A 61 -9.318 -7.882 -25.312 1.00 0.00 N ATOM 948 CA ASN A 61 -8.433 -6.894 -24.677 1.00 0.00 C ATOM 949 C ASN A 61 -7.654 -5.963 -25.598 1.00 0.00 C ATOM 950 O ASN A 61 -8.059 -4.834 -25.799 1.00 0.00 O ATOM 951 CB ASN A 61 -7.413 -7.681 -23.844 1.00 0.00 C ATOM 952 CG ASN A 61 -6.801 -8.797 -24.696 1.00 0.00 C ATOM 953 OD1 ASN A 61 -7.448 -9.378 -25.546 1.00 0.00 O ATOM 954 ND2 ASN A 61 -5.557 -9.128 -24.501 1.00 0.00 N ATOM 0 H ASN A 61 -9.168 -8.845 -25.012 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.092 -6.236 -24.111 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.630 -7.013 -23.485 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.897 -8.106 -22.965 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.133 -9.869 -25.059 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.006 -8.646 -23.790 1.00 0.00 H new ATOM 961 N CYS A 62 -6.567 -6.441 -26.148 1.00 0.00 N ATOM 962 CA CYS A 62 -5.761 -5.560 -27.051 1.00 0.00 C ATOM 963 C CYS A 62 -5.903 -5.819 -28.557 1.00 0.00 C ATOM 964 O CYS A 62 -6.131 -4.902 -29.322 1.00 0.00 O ATOM 965 CB CYS A 62 -4.284 -5.744 -26.678 1.00 0.00 C ATOM 966 SG CYS A 62 -3.187 -6.423 -27.949 1.00 0.00 S ATOM 0 H CYS A 62 -6.206 -7.386 -26.016 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.143 -4.551 -26.896 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.889 -4.775 -26.374 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.235 -6.396 -25.806 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.979 -6.512 -27.477 1.00 0.00 H new ATOM 972 N ASP A 63 -5.764 -7.055 -28.957 1.00 0.00 N ATOM 973 CA ASP A 63 -5.880 -7.364 -30.417 1.00 0.00 C ATOM 974 C ASP A 63 -7.307 -7.579 -30.850 1.00 0.00 C ATOM 975 O ASP A 63 -7.632 -8.571 -31.471 1.00 0.00 O ATOM 976 CB ASP A 63 -5.088 -8.649 -30.697 1.00 0.00 C ATOM 977 CG ASP A 63 -4.833 -8.767 -32.201 1.00 0.00 C ATOM 978 OD1 ASP A 63 -4.903 -7.731 -32.845 1.00 0.00 O ATOM 979 OD2 ASP A 63 -4.585 -9.884 -32.622 1.00 0.00 O ATOM 0 H ASP A 63 -5.578 -7.853 -28.350 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.490 -6.512 -30.974 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.142 -8.632 -30.156 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.643 -9.517 -30.341 1.00 0.00 H new ATOM 984 N THR A 64 -8.129 -6.644 -30.519 1.00 0.00 N ATOM 985 CA THR A 64 -9.543 -6.754 -30.896 1.00 0.00 C ATOM 986 C THR A 64 -10.148 -5.380 -31.025 1.00 0.00 C ATOM 987 O THR A 64 -10.374 -4.888 -32.113 1.00 0.00 O ATOM 988 CB THR A 64 -10.263 -7.518 -29.799 1.00 0.00 C ATOM 989 OG1 THR A 64 -9.470 -7.321 -28.644 1.00 0.00 O ATOM 990 CG2 THR A 64 -10.212 -9.041 -30.047 1.00 0.00 C ATOM 0 H THR A 64 -7.879 -5.802 -30.000 1.00 0.00 H new ATOM 0 HA THR A 64 -9.637 -7.271 -31.851 1.00 0.00 H new ATOM 0 HB THR A 64 -11.299 -7.184 -29.734 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.794 -6.536 -28.155 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.736 -9.558 -29.244 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.690 -9.271 -30.999 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.173 -9.371 -30.073 1.00 0.00 H new ATOM 998 N ASN A 65 -10.397 -4.790 -29.909 1.00 0.00 N ATOM 999 CA ASN A 65 -10.984 -3.448 -29.904 1.00 0.00 C ATOM 1000 C ASN A 65 -10.485 -2.699 -28.691 1.00 0.00 C ATOM 1001 O ASN A 65 -11.242 -2.369 -27.815 1.00 0.00 O ATOM 1002 CB ASN A 65 -12.512 -3.574 -29.821 1.00 0.00 C ATOM 1003 CG ASN A 65 -12.994 -4.605 -30.842 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -13.505 -5.648 -30.492 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -12.852 -4.349 -32.114 1.00 0.00 N ATOM 0 H ASN A 65 -10.216 -5.188 -28.987 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.703 -2.914 -30.812 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.809 -3.875 -28.816 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.978 -2.608 -30.015 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.170 -5.025 -32.809 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.423 -3.473 -32.413 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.203 -2.452 -28.666 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.622 -1.718 -27.508 1.00 0.00 C ATOM 1014 C GLU A 66 -9.522 -0.571 -27.135 1.00 0.00 C ATOM 1015 O GLU A 66 -9.545 -0.119 -26.003 1.00 0.00 O ATOM 1016 CB GLU A 66 -7.242 -1.169 -27.909 1.00 0.00 C ATOM 1017 CG GLU A 66 -7.424 0.095 -28.757 1.00 0.00 C ATOM 1018 CD GLU A 66 -6.085 0.468 -29.396 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -5.740 -0.197 -30.360 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -5.479 1.397 -28.886 1.00 0.00 O ATOM 0 H GLU A 66 -8.539 -2.724 -29.391 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.524 -2.392 -26.657 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.656 -0.942 -27.018 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.689 -1.921 -28.471 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.174 -0.075 -29.529 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.786 0.915 -28.136 1.00 0.00 H new ATOM 1027 N ALA A 67 -10.271 -0.143 -28.097 1.00 0.00 N ATOM 1028 CA ALA A 67 -11.190 0.966 -27.865 1.00 0.00 C ATOM 1029 C ALA A 67 -12.354 0.487 -27.023 1.00 0.00 C ATOM 1030 O ALA A 67 -12.747 1.124 -26.059 1.00 0.00 O ATOM 1031 CB ALA A 67 -11.702 1.420 -29.230 1.00 0.00 C ATOM 0 H ALA A 67 -10.280 -0.525 -29.043 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.693 1.784 -27.343 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.395 2.251 -29.101 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.862 1.741 -29.846 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.215 0.593 -29.720 1.00 0.00 H new ATOM 1037 N ALA A 68 -12.880 -0.638 -27.401 1.00 0.00 N ATOM 1038 CA ALA A 68 -14.015 -1.198 -26.656 1.00 0.00 C ATOM 1039 C ALA A 68 -13.540 -1.821 -25.348 1.00 0.00 C ATOM 1040 O ALA A 68 -14.129 -1.598 -24.313 1.00 0.00 O ATOM 1041 CB ALA A 68 -14.661 -2.285 -27.518 1.00 0.00 C ATOM 0 H ALA A 68 -12.566 -1.191 -28.199 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.727 -0.405 -26.427 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.508 -2.717 -26.985 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.006 -1.849 -28.455 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.929 -3.065 -27.729 1.00 0.00 H new ATOM 1047 N TYR A 69 -12.481 -2.598 -25.412 1.00 0.00 N ATOM 1048 CA TYR A 69 -11.978 -3.226 -24.167 1.00 0.00 C ATOM 1049 C TYR A 69 -11.937 -2.193 -23.050 1.00 0.00 C ATOM 1050 O TYR A 69 -12.454 -2.413 -21.973 1.00 0.00 O ATOM 1051 CB TYR A 69 -10.533 -3.747 -24.389 1.00 0.00 C ATOM 1052 CG TYR A 69 -10.050 -4.425 -23.093 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -10.757 -5.487 -22.554 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -8.909 -3.985 -22.440 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -10.336 -6.090 -21.385 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -8.493 -4.592 -21.270 1.00 0.00 C ATOM 1057 CZ TYR A 69 -9.201 -5.648 -20.735 1.00 0.00 C ATOM 1058 OH TYR A 69 -8.784 -6.254 -19.566 1.00 0.00 O ATOM 0 H TYR A 69 -11.958 -2.816 -26.260 1.00 0.00 H new ATOM 0 HA TYR A 69 -12.642 -4.048 -23.900 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.509 -4.455 -25.218 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.870 -2.923 -24.654 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.645 -5.847 -23.052 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.341 -3.162 -22.848 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.900 -6.915 -20.975 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.605 -4.236 -20.770 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.058 -6.881 -19.764 1.00 0.00 H new ATOM 1068 N LYS A 70 -11.317 -1.073 -23.335 1.00 0.00 N ATOM 1069 CA LYS A 70 -11.225 -0.007 -22.306 1.00 0.00 C ATOM 1070 C LYS A 70 -12.606 0.449 -21.868 1.00 0.00 C ATOM 1071 O LYS A 70 -12.981 0.292 -20.722 1.00 0.00 O ATOM 1072 CB LYS A 70 -10.479 1.195 -22.910 1.00 0.00 C ATOM 1073 CG LYS A 70 -10.675 2.416 -22.003 1.00 0.00 C ATOM 1074 CD LYS A 70 -9.434 3.312 -22.077 1.00 0.00 C ATOM 1075 CE LYS A 70 -9.426 4.052 -23.418 1.00 0.00 C ATOM 1076 NZ LYS A 70 -8.053 4.070 -23.995 1.00 0.00 N ATOM 0 H LYS A 70 -10.876 -0.858 -24.229 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.696 -0.402 -21.439 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.418 0.967 -23.010 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.855 1.406 -23.911 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.559 2.974 -22.313 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.844 2.095 -20.975 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.437 4.026 -21.254 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.530 2.711 -21.974 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.112 3.567 -24.112 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.782 5.073 -23.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.065 4.575 -24.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.407 4.553 -23.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.727 3.094 -24.146 1.00 0.00 H new ATOM 1090 N ALA A 71 -13.345 1.004 -22.786 1.00 0.00 N ATOM 1091 CA ALA A 71 -14.705 1.474 -22.431 1.00 0.00 C ATOM 1092 C ALA A 71 -15.471 0.389 -21.690 1.00 0.00 C ATOM 1093 O ALA A 71 -15.836 0.555 -20.549 1.00 0.00 O ATOM 1094 CB ALA A 71 -15.454 1.817 -23.727 1.00 0.00 C ATOM 0 H ALA A 71 -13.067 1.150 -23.757 1.00 0.00 H new ATOM 0 HA ALA A 71 -14.625 2.348 -21.785 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.458 2.165 -23.486 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.917 2.601 -24.261 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -15.519 0.929 -24.355 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.695 -0.702 -22.359 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.435 -1.819 -21.721 1.00 0.00 C ATOM 1102 C ARG A 72 -15.985 -2.024 -20.284 1.00 0.00 C ATOM 1103 O ARG A 72 -16.701 -1.726 -19.354 1.00 0.00 O ATOM 1104 CB ARG A 72 -16.125 -3.101 -22.520 1.00 0.00 C ATOM 1105 CG ARG A 72 -16.778 -4.321 -21.843 1.00 0.00 C ATOM 1106 CD ARG A 72 -15.808 -5.502 -21.907 1.00 0.00 C ATOM 1107 NE ARG A 72 -16.589 -6.770 -21.860 1.00 0.00 N ATOM 1108 CZ ARG A 72 -16.048 -7.877 -22.294 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -15.079 -7.812 -23.168 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -16.499 -9.017 -21.843 1.00 0.00 N ATOM 0 H ARG A 72 -15.398 -0.869 -23.320 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.501 -1.590 -21.718 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.495 -3.001 -23.540 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.047 -3.246 -22.585 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.023 -4.090 -20.806 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.713 -4.574 -22.343 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.218 -5.456 -22.822 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.107 -5.460 -21.073 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.540 -6.774 -21.491 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.754 -6.905 -23.503 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.647 -8.668 -23.516 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.260 -9.032 -21.164 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.090 -9.892 -22.170 1.00 0.00 H new ATOM 1124 N TYR A 73 -14.805 -2.519 -20.131 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.295 -2.753 -18.770 1.00 0.00 C ATOM 1126 C TYR A 73 -14.442 -1.518 -17.888 1.00 0.00 C ATOM 1127 O TYR A 73 -15.274 -1.481 -17.013 1.00 0.00 O ATOM 1128 CB TYR A 73 -12.807 -3.109 -18.877 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.166 -2.977 -17.504 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.400 -3.922 -16.528 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.346 -1.910 -17.218 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -11.825 -3.800 -15.286 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -10.771 -1.787 -15.975 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.005 -2.731 -15.000 1.00 0.00 C ATOM 1135 OH TYR A 73 -10.430 -2.607 -13.761 1.00 0.00 O ATOM 0 H TYR A 73 -14.171 -2.772 -20.889 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.872 -3.559 -18.315 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.689 -4.126 -19.251 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.312 -2.448 -19.589 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.040 -4.765 -16.741 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.153 -1.164 -17.975 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.017 -4.547 -14.530 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.131 -0.944 -15.762 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.089 -2.252 -13.129 1.00 0.00 H new ATOM 1145 N ARG A 74 -13.650 -0.531 -18.161 1.00 0.00 N ATOM 1146 CA ARG A 74 -13.704 0.729 -17.357 1.00 0.00 C ATOM 1147 C ARG A 74 -15.133 1.216 -17.067 1.00 0.00 C ATOM 1148 O ARG A 74 -15.543 1.281 -15.926 1.00 0.00 O ATOM 1149 CB ARG A 74 -12.974 1.819 -18.152 1.00 0.00 C ATOM 1150 CG ARG A 74 -12.714 3.022 -17.243 1.00 0.00 C ATOM 1151 CD ARG A 74 -11.531 3.814 -17.796 1.00 0.00 C ATOM 1152 NE ARG A 74 -11.150 4.867 -16.816 1.00 0.00 N ATOM 1153 CZ ARG A 74 -10.641 4.519 -15.667 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -9.367 4.246 -15.597 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -11.425 4.450 -14.625 1.00 0.00 N ATOM 0 H ARG A 74 -12.959 -0.534 -18.911 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.240 0.523 -16.393 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.032 1.432 -18.540 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.573 2.121 -19.011 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.600 3.655 -17.192 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.502 2.688 -16.227 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.687 3.149 -17.981 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.795 4.267 -18.751 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.286 5.853 -17.041 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.786 4.306 -16.433 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.952 3.972 -14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.417 4.666 -14.718 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.045 4.180 -13.718 1.00 0.00 H new ATOM 1169 N ILE A 75 -15.857 1.544 -18.096 1.00 0.00 N ATOM 1170 CA ILE A 75 -17.258 2.035 -17.887 1.00 0.00 C ATOM 1171 C ILE A 75 -18.147 1.002 -17.209 1.00 0.00 C ATOM 1172 O ILE A 75 -18.508 1.142 -16.057 1.00 0.00 O ATOM 1173 CB ILE A 75 -17.875 2.359 -19.258 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -17.056 3.431 -19.961 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -19.304 2.897 -19.044 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -17.810 3.900 -21.212 1.00 0.00 C ATOM 0 H ILE A 75 -15.550 1.497 -19.067 1.00 0.00 H new ATOM 0 HA ILE A 75 -17.202 2.912 -17.242 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.889 1.455 -19.867 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -16.882 4.272 -19.290 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.078 3.036 -20.237 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -19.753 3.131 -20.009 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -19.905 2.142 -18.538 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -19.265 3.799 -18.434 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.228 4.669 -21.721 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.961 3.055 -21.884 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -18.777 4.310 -20.921 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.473 -0.014 -17.936 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.338 -1.076 -17.379 1.00 0.00 C ATOM 1190 C ILE A 76 -18.752 -1.703 -16.112 1.00 0.00 C ATOM 1191 O ILE A 76 -19.421 -2.461 -15.439 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.516 -2.128 -18.484 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -20.998 -2.326 -18.760 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -18.913 -3.482 -18.057 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -21.169 -3.045 -20.091 1.00 0.00 C ATOM 0 H ILE A 76 -18.176 -0.158 -18.901 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.296 -0.653 -17.077 1.00 0.00 H new ATOM 0 HB ILE A 76 -19.003 -1.773 -19.378 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -21.455 -2.906 -17.958 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -21.507 -1.362 -18.786 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -19.052 -4.210 -18.856 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.848 -3.360 -17.858 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -19.412 -3.834 -17.154 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.230 -3.189 -20.293 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.726 -2.447 -20.887 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.673 -4.015 -20.047 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.518 -1.372 -15.807 1.00 0.00 N ATOM 1208 CA TYR A 77 -16.884 -1.953 -14.571 1.00 0.00 C ATOM 1209 C TYR A 77 -17.896 -2.058 -13.438 1.00 0.00 C ATOM 1210 O TYR A 77 -17.785 -2.908 -12.580 1.00 0.00 O ATOM 1211 CB TYR A 77 -15.723 -1.042 -14.095 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.247 -1.505 -12.702 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -15.103 -2.854 -12.414 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -14.940 -0.583 -11.712 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -14.669 -3.263 -11.180 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -14.503 -1.007 -10.478 1.00 0.00 C ATOM 1217 CZ TYR A 77 -14.364 -2.346 -10.206 1.00 0.00 C ATOM 1218 OH TYR A 77 -13.926 -2.761 -8.976 1.00 0.00 O ATOM 0 H TYR A 77 -16.929 -0.737 -16.347 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.514 -2.947 -14.824 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -14.898 -1.084 -14.806 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.054 -0.004 -14.052 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -15.335 -3.590 -13.170 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.045 0.473 -11.911 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -14.566 -4.318 -10.972 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -14.267 -0.279 -9.716 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.020 -2.422 -8.820 1.00 0.00 H new ATOM 1228 N SER A 78 -18.868 -1.189 -13.453 1.00 0.00 N ATOM 1229 CA SER A 78 -19.890 -1.231 -12.383 1.00 0.00 C ATOM 1230 C SER A 78 -20.691 -2.515 -12.479 1.00 0.00 C ATOM 1231 O SER A 78 -20.893 -3.200 -11.498 1.00 0.00 O ATOM 1232 CB SER A 78 -20.838 -0.036 -12.565 1.00 0.00 C ATOM 1233 OG SER A 78 -21.741 -0.138 -11.475 1.00 0.00 O ATOM 0 H SER A 78 -18.995 -0.460 -14.155 1.00 0.00 H new ATOM 0 HA SER A 78 -19.401 -1.187 -11.410 1.00 0.00 H new ATOM 0 HB2 SER A 78 -20.295 0.909 -12.545 1.00 0.00 H new ATOM 0 HB3 SER A 78 -21.360 -0.084 -13.521 1.00 0.00 H new ATOM 0 HG SER A 78 -22.387 0.598 -11.516 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.135 -2.814 -13.663 1.00 0.00 N ATOM 1240 CA ASN A 79 -21.924 -4.048 -13.851 1.00 0.00 C ATOM 1241 C ASN A 79 -21.019 -5.264 -13.757 1.00 0.00 C ATOM 1242 O ASN A 79 -21.478 -6.369 -13.559 1.00 0.00 O ATOM 1243 CB ASN A 79 -22.561 -4.008 -15.248 1.00 0.00 C ATOM 1244 CG ASN A 79 -23.741 -3.034 -15.241 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -23.615 -1.885 -15.617 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -24.904 -3.452 -14.825 1.00 0.00 N ATOM 0 H ASN A 79 -20.984 -2.257 -14.504 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.691 -4.113 -13.079 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -21.823 -3.697 -15.987 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.899 -5.004 -15.534 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.701 -2.816 -14.816 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.016 -4.415 -14.508 1.00 0.00 H new ATOM 1253 N VAL A 80 -19.740 -5.037 -13.908 1.00 0.00 N ATOM 1254 CA VAL A 80 -18.796 -6.171 -13.826 1.00 0.00 C ATOM 1255 C VAL A 80 -18.713 -6.659 -12.398 1.00 0.00 C ATOM 1256 O VAL A 80 -18.701 -7.847 -12.140 1.00 0.00 O ATOM 1257 CB VAL A 80 -17.403 -5.695 -14.266 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -16.416 -6.854 -14.147 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -17.464 -5.233 -15.717 1.00 0.00 C ATOM 0 H VAL A 80 -19.320 -4.124 -14.082 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.142 -6.978 -14.472 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.079 -4.869 -13.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.426 -6.522 -14.458 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.376 -7.193 -13.112 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -16.740 -7.675 -14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.477 -4.894 -16.033 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.783 -6.061 -16.350 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.175 -4.412 -15.808 1.00 0.00 H new ATOM 1269 N ILE A 81 -18.663 -5.728 -11.484 1.00 0.00 N ATOM 1270 CA ILE A 81 -18.584 -6.120 -10.069 1.00 0.00 C ATOM 1271 C ILE A 81 -19.893 -6.745 -9.639 1.00 0.00 C ATOM 1272 O ILE A 81 -19.997 -7.337 -8.583 1.00 0.00 O ATOM 1273 CB ILE A 81 -18.348 -4.886 -9.239 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -17.168 -4.117 -9.802 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -18.007 -5.318 -7.809 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -17.420 -2.640 -9.613 1.00 0.00 C ATOM 0 H ILE A 81 -18.674 -4.724 -11.664 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.773 -6.836 -9.934 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.239 -4.258 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -16.249 -4.412 -9.296 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.037 -4.346 -10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.833 -4.435 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.836 -5.891 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.109 -5.935 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -16.579 -2.073 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -18.332 -2.356 -10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.531 -2.423 -8.551 1.00 0.00 H new ATOM 1288 N SER A 82 -20.880 -6.597 -10.484 1.00 0.00 N ATOM 1289 CA SER A 82 -22.208 -7.162 -10.172 1.00 0.00 C ATOM 1290 C SER A 82 -22.394 -8.539 -10.804 1.00 0.00 C ATOM 1291 O SER A 82 -22.543 -9.522 -10.103 1.00 0.00 O ATOM 1292 CB SER A 82 -23.271 -6.209 -10.735 1.00 0.00 C ATOM 1293 OG SER A 82 -22.931 -4.946 -10.179 1.00 0.00 O ATOM 0 H SER A 82 -20.815 -6.107 -11.376 1.00 0.00 H new ATOM 0 HA SER A 82 -22.300 -7.273 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 82 -23.248 -6.185 -11.824 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.276 -6.515 -10.444 1.00 0.00 H new ATOM 0 HG SER A 82 -22.274 -4.501 -10.755 1.00 0.00 H new ATOM 1299 N LYS A 83 -22.385 -8.586 -12.124 1.00 0.00 N ATOM 1300 CA LYS A 83 -22.562 -9.896 -12.819 1.00 0.00 C ATOM 1301 C LYS A 83 -21.479 -10.135 -13.882 1.00 0.00 C ATOM 1302 O LYS A 83 -20.459 -10.728 -13.592 1.00 0.00 O ATOM 1303 CB LYS A 83 -23.946 -9.896 -13.494 1.00 0.00 C ATOM 1304 CG LYS A 83 -24.400 -11.343 -13.696 1.00 0.00 C ATOM 1305 CD LYS A 83 -25.468 -11.681 -12.653 1.00 0.00 C ATOM 1306 CE LYS A 83 -26.096 -13.031 -13.000 1.00 0.00 C ATOM 1307 NZ LYS A 83 -25.442 -14.121 -12.224 1.00 0.00 N ATOM 0 H LYS A 83 -22.264 -7.780 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 83 -22.479 -10.695 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -24.666 -9.358 -12.877 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -23.898 -9.379 -14.452 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -24.800 -11.475 -14.701 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -23.552 -12.021 -13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -25.024 -11.717 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -26.233 -10.905 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -27.164 -13.010 -12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -25.993 -13.224 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -25.879 -15.032 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -24.428 -14.150 -12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -25.562 -13.943 -11.206 1.00 0.00 H new ATOM 1321 N ASN A 84 -21.706 -9.670 -15.092 1.00 0.00 N ATOM 1322 CA ASN A 84 -20.676 -9.886 -16.147 1.00 0.00 C ATOM 1323 C ASN A 84 -20.823 -8.893 -17.306 1.00 0.00 C ATOM 1324 O ASN A 84 -21.419 -7.844 -17.160 1.00 0.00 O ATOM 1325 CB ASN A 84 -20.847 -11.316 -16.693 1.00 0.00 C ATOM 1326 CG ASN A 84 -22.324 -11.574 -17.007 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -22.948 -12.446 -16.435 1.00 0.00 O ATOM 1328 ND2 ASN A 84 -22.918 -10.840 -17.908 1.00 0.00 N ATOM 0 H ASN A 84 -22.541 -9.163 -15.384 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.691 -9.737 -15.705 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -20.246 -11.447 -17.593 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -20.488 -12.040 -15.962 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -23.901 -11.000 -18.129 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -22.399 -10.107 -18.391 1.00 0.00 H new ATOM 1335 N ASN A 85 -20.268 -9.253 -18.442 1.00 0.00 N ATOM 1336 CA ASN A 85 -20.352 -8.356 -19.628 1.00 0.00 C ATOM 1337 C ASN A 85 -21.466 -8.798 -20.599 1.00 0.00 C ATOM 1338 O ASN A 85 -21.430 -9.899 -21.115 1.00 0.00 O ATOM 1339 CB ASN A 85 -19.012 -8.448 -20.373 1.00 0.00 C ATOM 1340 CG ASN A 85 -17.918 -7.816 -19.514 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -16.897 -8.416 -19.252 1.00 0.00 O ATOM 1342 ND2 ASN A 85 -18.096 -6.609 -19.054 1.00 0.00 N ATOM 0 H ASN A 85 -19.764 -10.127 -18.593 1.00 0.00 H new ATOM 0 HA ASN A 85 -20.572 -7.344 -19.288 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -18.770 -9.490 -20.584 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -19.079 -7.936 -21.333 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -17.378 -6.172 -18.476 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.953 -6.101 -19.272 1.00 0.00 H new ATOM 1349 N PRO A 86 -22.457 -7.928 -20.827 1.00 0.00 N ATOM 1350 CA PRO A 86 -23.552 -8.254 -21.731 1.00 0.00 C ATOM 1351 C PRO A 86 -23.064 -8.295 -23.167 1.00 0.00 C ATOM 1352 O PRO A 86 -23.815 -8.057 -24.095 1.00 0.00 O ATOM 1353 CB PRO A 86 -24.572 -7.104 -21.557 1.00 0.00 C ATOM 1354 CG PRO A 86 -23.900 -6.029 -20.653 1.00 0.00 C ATOM 1355 CD PRO A 86 -22.553 -6.608 -20.185 1.00 0.00 C ATOM 0 HA PRO A 86 -23.982 -9.231 -21.509 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -24.843 -6.680 -22.524 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -25.492 -7.471 -21.101 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -23.749 -5.101 -21.205 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -24.535 -5.792 -19.799 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -21.724 -5.965 -20.481 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -22.518 -6.695 -19.099 1.00 0.00 H new ATOM 1363 N ASP A 87 -21.808 -8.594 -23.323 1.00 0.00 N ATOM 1364 CA ASP A 87 -21.239 -8.658 -24.683 1.00 0.00 C ATOM 1365 C ASP A 87 -21.375 -7.297 -25.366 1.00 0.00 C ATOM 1366 O ASP A 87 -22.096 -7.131 -26.330 1.00 0.00 O ATOM 1367 CB ASP A 87 -21.986 -9.750 -25.488 1.00 0.00 C ATOM 1368 CG ASP A 87 -21.105 -11.000 -25.567 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -20.724 -11.461 -24.504 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -20.860 -11.421 -26.684 1.00 0.00 O ATOM 0 H ASP A 87 -21.156 -8.796 -22.565 1.00 0.00 H new ATOM 0 HA ASP A 87 -20.180 -8.911 -24.633 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -22.936 -9.988 -25.009 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -22.217 -9.388 -26.490 1.00 0.00 H new ATOM 1375 N LEU A 88 -20.682 -6.343 -24.811 1.00 0.00 N ATOM 1376 CA LEU A 88 -20.712 -4.954 -25.370 1.00 0.00 C ATOM 1377 C LEU A 88 -20.871 -4.937 -26.897 1.00 0.00 C ATOM 1378 O LEU A 88 -21.485 -4.036 -27.440 1.00 0.00 O ATOM 1379 CB LEU A 88 -19.361 -4.273 -25.030 1.00 0.00 C ATOM 1380 CG LEU A 88 -19.562 -2.749 -24.991 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -20.108 -2.350 -23.618 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -18.217 -2.037 -25.221 1.00 0.00 C ATOM 0 H LEU A 88 -20.091 -6.462 -23.988 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.566 -4.436 -24.934 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -18.992 -4.628 -24.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.610 -4.534 -25.775 1.00 0.00 H new ATOM 0 HG LEU A 88 -20.264 -2.459 -25.773 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -20.253 -1.270 -23.584 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -21.061 -2.850 -23.446 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -19.399 -2.646 -22.845 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -18.367 -0.958 -25.192 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.514 -2.327 -24.440 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -17.816 -2.322 -26.194 1.00 0.00 H new ATOM 1579 N PHE A 101 -31.663 -17.660 -19.893 1.00 0.00 N ATOM 1580 CA PHE A 101 -32.350 -18.946 -20.093 1.00 0.00 C ATOM 1581 C PHE A 101 -31.607 -19.786 -21.114 1.00 0.00 C ATOM 1582 O PHE A 101 -31.008 -20.793 -20.793 1.00 0.00 O ATOM 1583 CB PHE A 101 -33.762 -18.657 -20.671 1.00 0.00 C ATOM 1584 CG PHE A 101 -34.293 -17.316 -20.173 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -34.297 -17.004 -18.827 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -34.821 -16.409 -21.076 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -34.826 -15.805 -18.395 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -35.348 -15.217 -20.643 1.00 0.00 C ATOM 1589 CZ PHE A 101 -35.351 -14.913 -19.304 1.00 0.00 C ATOM 0 HA PHE A 101 -32.400 -19.475 -19.142 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -33.719 -18.653 -21.760 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -34.447 -19.454 -20.382 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -33.885 -17.700 -18.111 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -34.818 -16.641 -22.131 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -34.828 -15.565 -17.342 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -35.760 -14.518 -21.356 1.00 0.00 H new ATOM 0 HZ PHE A 101 -35.765 -13.975 -18.964 1.00 0.00 H new ATOM 1599 N LEU A 102 -31.664 -19.340 -22.334 1.00 0.00 N ATOM 1600 CA LEU A 102 -30.986 -20.063 -23.426 1.00 0.00 C ATOM 1601 C LEU A 102 -29.518 -20.297 -23.096 1.00 0.00 C ATOM 1602 O LEU A 102 -28.829 -20.997 -23.810 1.00 0.00 O ATOM 1603 CB LEU A 102 -31.086 -19.205 -24.700 1.00 0.00 C ATOM 1604 CG LEU A 102 -32.544 -18.751 -24.894 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -32.579 -17.550 -25.841 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -33.355 -19.896 -25.501 1.00 0.00 C ATOM 0 H LEU A 102 -32.159 -18.495 -22.619 1.00 0.00 H new ATOM 0 HA LEU A 102 -31.463 -21.033 -23.567 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -30.430 -18.338 -24.621 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -30.753 -19.778 -25.565 1.00 0.00 H new ATOM 0 HG LEU A 102 -32.970 -18.471 -23.931 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -33.610 -17.226 -25.980 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -31.997 -16.733 -25.414 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -32.155 -17.834 -26.804 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -34.388 -19.577 -25.639 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -32.929 -20.173 -26.465 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -33.328 -20.756 -24.832 1.00 0.00 H new ATOM 1618 N ALA A 103 -29.066 -19.694 -22.022 1.00 0.00 N ATOM 1619 CA ALA A 103 -27.638 -19.868 -21.623 1.00 0.00 C ATOM 1620 C ALA A 103 -27.176 -21.300 -21.861 1.00 0.00 C ATOM 1621 O ALA A 103 -26.071 -21.535 -22.311 1.00 0.00 O ATOM 1622 CB ALA A 103 -27.516 -19.552 -20.125 1.00 0.00 C ATOM 0 H ALA A 103 -29.621 -19.094 -21.411 1.00 0.00 H new ATOM 0 HA ALA A 103 -27.017 -19.200 -22.220 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -26.479 -19.673 -19.811 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -27.833 -18.525 -19.943 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -28.149 -20.233 -19.557 1.00 0.00 H new ATOM 1628 N THR A 104 -28.034 -22.229 -21.553 1.00 0.00 N ATOM 1629 CA THR A 104 -27.676 -23.655 -21.749 1.00 0.00 C ATOM 1630 C THR A 104 -28.925 -24.477 -22.045 1.00 0.00 C ATOM 1631 O THR A 104 -28.844 -25.589 -22.527 1.00 0.00 O ATOM 1632 CB THR A 104 -27.039 -24.180 -20.454 1.00 0.00 C ATOM 1633 OG1 THR A 104 -26.167 -23.156 -20.023 1.00 0.00 O ATOM 1634 CG2 THR A 104 -26.118 -25.375 -20.742 1.00 0.00 C ATOM 0 H THR A 104 -28.966 -22.061 -21.175 1.00 0.00 H new ATOM 0 HA THR A 104 -26.984 -23.741 -22.586 1.00 0.00 H new ATOM 0 HB THR A 104 -27.820 -24.461 -19.748 1.00 0.00 H new ATOM 0 HG1 THR A 104 -25.726 -23.430 -19.192 1.00 0.00 H new ATOM 0 HG21 THR A 104 -25.679 -25.729 -19.809 1.00 0.00 H new ATOM 0 HG22 THR A 104 -26.696 -26.178 -21.199 1.00 0.00 H new ATOM 0 HG23 THR A 104 -25.324 -25.067 -21.423 1.00 0.00 H new ATOM 1642 N CYS A 105 -30.061 -23.906 -21.749 1.00 0.00 N ATOM 1643 CA CYS A 105 -31.334 -24.623 -21.999 1.00 0.00 C ATOM 1644 C CYS A 105 -31.403 -25.159 -23.425 1.00 0.00 C ATOM 1645 O CYS A 105 -31.937 -26.225 -23.660 1.00 0.00 O ATOM 1646 CB CYS A 105 -32.490 -23.635 -21.782 1.00 0.00 C ATOM 1647 SG CYS A 105 -34.013 -23.918 -22.716 1.00 0.00 S ATOM 0 H CYS A 105 -30.158 -22.974 -21.345 1.00 0.00 H new ATOM 0 HA CYS A 105 -31.401 -25.470 -21.316 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -32.740 -23.637 -20.721 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -32.128 -22.635 -22.022 1.00 0.00 H new ATOM 0 HG CYS A 105 -34.883 -23.000 -22.416 1.00 0.00 H new ATOM 1653 N ASP A 106 -30.864 -24.414 -24.353 1.00 0.00 N ATOM 1654 CA ASP A 106 -30.896 -24.875 -25.767 1.00 0.00 C ATOM 1655 C ASP A 106 -29.634 -25.639 -26.129 1.00 0.00 C ATOM 1656 O ASP A 106 -29.697 -26.750 -26.615 1.00 0.00 O ATOM 1657 CB ASP A 106 -31.003 -23.643 -26.679 1.00 0.00 C ATOM 1658 CG ASP A 106 -31.507 -24.076 -28.058 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -32.338 -24.970 -28.074 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -31.032 -23.489 -29.016 1.00 0.00 O ATOM 0 H ASP A 106 -30.408 -23.516 -24.194 1.00 0.00 H new ATOM 0 HA ASP A 106 -31.750 -25.539 -25.897 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -31.684 -22.912 -26.243 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -30.031 -23.158 -26.770 1.00 0.00 H new ATOM 1665 N ALA A 107 -28.511 -25.033 -25.890 1.00 0.00 N ATOM 1666 CA ALA A 107 -27.241 -25.716 -26.217 1.00 0.00 C ATOM 1667 C ALA A 107 -27.118 -27.017 -25.449 1.00 0.00 C ATOM 1668 O ALA A 107 -26.239 -27.814 -25.712 1.00 0.00 O ATOM 1669 CB ALA A 107 -26.074 -24.793 -25.832 1.00 0.00 C ATOM 0 H ALA A 107 -28.419 -24.101 -25.485 1.00 0.00 H new ATOM 0 HA ALA A 107 -27.221 -25.939 -27.284 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -25.129 -25.283 -26.067 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -26.148 -23.860 -26.391 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -26.116 -24.580 -24.764 1.00 0.00 H new ATOM 1675 N LYS A 108 -28.001 -27.216 -24.511 1.00 0.00 N ATOM 1676 CA LYS A 108 -27.938 -28.466 -23.726 1.00 0.00 C ATOM 1677 C LYS A 108 -28.412 -29.617 -24.585 1.00 0.00 C ATOM 1678 O LYS A 108 -28.063 -30.755 -24.348 1.00 0.00 O ATOM 1679 CB LYS A 108 -28.848 -28.316 -22.479 1.00 0.00 C ATOM 1680 CG LYS A 108 -29.233 -29.702 -21.921 1.00 0.00 C ATOM 1681 CD LYS A 108 -27.975 -30.421 -21.416 1.00 0.00 C ATOM 1682 CE LYS A 108 -28.325 -31.875 -21.071 1.00 0.00 C ATOM 1683 NZ LYS A 108 -29.228 -31.934 -19.887 1.00 0.00 N ATOM 0 H LYS A 108 -28.752 -26.573 -24.261 1.00 0.00 H new ATOM 0 HA LYS A 108 -26.915 -28.663 -23.406 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -28.331 -27.739 -21.712 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -29.748 -27.761 -22.743 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -29.952 -29.591 -21.109 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -29.717 -30.296 -22.696 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -27.196 -30.393 -22.178 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -27.579 -29.912 -20.537 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -28.806 -32.351 -21.925 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -27.412 -32.435 -20.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -29.357 -32.925 -19.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -28.807 -31.396 -19.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -30.151 -31.522 -20.133 1.00 0.00 H new ATOM 1697 N ASP A 109 -29.199 -29.309 -25.580 1.00 0.00 N ATOM 1698 CA ASP A 109 -29.686 -30.392 -26.450 1.00 0.00 C ATOM 1699 C ASP A 109 -28.489 -31.069 -27.035 1.00 0.00 C ATOM 1700 O ASP A 109 -28.442 -32.275 -27.180 1.00 0.00 O ATOM 1701 CB ASP A 109 -30.536 -29.784 -27.573 1.00 0.00 C ATOM 1702 CG ASP A 109 -31.276 -30.902 -28.312 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -30.900 -32.040 -28.088 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -32.177 -30.554 -29.058 1.00 0.00 O ATOM 0 H ASP A 109 -29.516 -28.369 -25.818 1.00 0.00 H new ATOM 0 HA ASP A 109 -30.292 -31.105 -25.891 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -31.250 -29.072 -27.159 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -29.901 -29.232 -28.267 1.00 0.00 H new ATOM 1709 N LEU A 110 -27.529 -30.266 -27.361 1.00 0.00 N ATOM 1710 CA LEU A 110 -26.299 -30.791 -27.936 1.00 0.00 C ATOM 1711 C LEU A 110 -25.156 -29.887 -27.533 1.00 0.00 C ATOM 1712 O LEU A 110 -24.757 -29.008 -28.272 1.00 0.00 O ATOM 1713 CB LEU A 110 -26.425 -30.788 -29.464 1.00 0.00 C ATOM 1714 CG LEU A 110 -27.078 -29.480 -29.902 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -26.264 -28.861 -31.041 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -28.496 -29.766 -30.398 1.00 0.00 C ATOM 0 H LEU A 110 -27.556 -29.253 -27.247 1.00 0.00 H new ATOM 0 HA LEU A 110 -26.118 -31.806 -27.582 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.442 -30.891 -29.924 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -27.023 -31.637 -29.795 1.00 0.00 H new ATOM 0 HG LEU A 110 -27.113 -28.790 -29.059 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.729 -27.927 -31.355 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -25.249 -28.663 -30.697 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -26.233 -29.552 -31.884 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -28.966 -28.834 -30.712 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -28.454 -30.454 -31.242 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -29.079 -30.214 -29.594 1.00 0.00 H new ATOM 1728 N ALA A 111 -24.648 -30.120 -26.359 1.00 0.00 N ATOM 1729 CA ALA A 111 -23.520 -29.289 -25.875 1.00 0.00 C ATOM 1730 C ALA A 111 -22.180 -29.754 -26.463 1.00 0.00 C ATOM 1731 O ALA A 111 -21.416 -28.956 -26.970 1.00 0.00 O ATOM 1732 CB ALA A 111 -23.458 -29.385 -24.340 1.00 0.00 C ATOM 0 H ALA A 111 -24.964 -30.847 -25.717 1.00 0.00 H new ATOM 0 HA ALA A 111 -23.689 -28.261 -26.195 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -22.632 -28.778 -23.971 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -24.394 -29.022 -23.915 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -23.305 -30.423 -24.046 1.00 0.00 H new ATOM 1738 N PRO A 112 -21.915 -31.052 -26.381 1.00 0.00 N ATOM 1739 CA PRO A 112 -20.669 -31.609 -26.905 1.00 0.00 C ATOM 1740 C PRO A 112 -20.566 -31.415 -28.416 1.00 0.00 C ATOM 1741 O PRO A 112 -21.116 -30.480 -28.963 1.00 0.00 O ATOM 1742 CB PRO A 112 -20.732 -33.115 -26.576 1.00 0.00 C ATOM 1743 CG PRO A 112 -22.061 -33.364 -25.799 1.00 0.00 C ATOM 1744 CD PRO A 112 -22.825 -32.029 -25.761 1.00 0.00 C ATOM 0 HA PRO A 112 -19.801 -31.117 -26.466 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.703 -33.709 -27.489 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.873 -33.413 -25.974 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.656 -34.133 -26.291 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -21.855 -33.718 -24.789 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -23.765 -32.096 -26.309 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -23.072 -31.745 -24.738 1.00 0.00 H new ATOM 1752 N ALA A 113 -19.865 -32.306 -29.067 1.00 0.00 N ATOM 1753 CA ALA A 113 -19.719 -32.182 -30.539 1.00 0.00 C ATOM 1754 C ALA A 113 -19.107 -33.456 -31.144 1.00 0.00 C ATOM 1755 O ALA A 113 -17.907 -33.551 -31.312 1.00 0.00 O ATOM 1756 CB ALA A 113 -18.770 -31.005 -30.820 1.00 0.00 C ATOM 0 H ALA A 113 -19.393 -33.105 -28.644 1.00 0.00 H new ATOM 0 HA ALA A 113 -20.701 -32.025 -30.984 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -18.643 -30.889 -31.896 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -19.192 -30.090 -30.404 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -17.802 -31.200 -30.359 1.00 0.00 H new