USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 598 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 79 HIS : no HD1:sc= -4.02! C(o=-4.5!,f=-4.8!) USER MOD Set 1.2: A 83 SER OG : rot -160:sc= -0.482 USER MOD Set 2.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 CYS SG : rot -49:sc= -1.06 USER MOD Set 3.1: A 30 SER OG : rot 13:sc= 0.748 USER MOD Set 3.2: A 33 MET CE :methyl 169:sc= -0.878 (180deg=-0.564) USER MOD Set 3.3: A 57 HIS : no HE2:sc= 0.633 K(o=0.5,f=-6.6!) USER MOD Set 4.1: A 39 SER OG : rot 122:sc= 0.228 USER MOD Set 4.2: A 41 SER OG : rot 180:sc= 0.217 USER MOD Set 5.1: A 36 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3.2!) USER MOD Set 5.2: A 72 SER OG : rot 47:sc= -0.0214 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -130:sc= -0.95! USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 36:sc= 0.645 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0792! C(o=-0.079!,f=-6.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.2) USER MOD Single : A 66 MET CE :methyl 142:sc= -1.36 (180deg=-3.69!) USER MOD Single : A 69 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-6.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.39) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.438 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.695 -5.871 -5.210 1.00 0.00 N ATOM 142 CA ALA A 13 -2.288 -6.147 -4.948 1.00 0.00 C ATOM 143 C ALA A 13 -1.975 -7.628 -5.132 1.00 0.00 C ATOM 144 O ALA A 13 -2.859 -8.479 -5.025 1.00 0.00 O ATOM 145 CB ALA A 13 -1.915 -5.697 -3.543 1.00 0.00 C ATOM 0 HA ALA A 13 -1.693 -5.585 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.861 -5.909 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.092 -4.626 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.524 -6.233 -2.815 1.00 0.00 H new ATOM 151 N THR A 14 -0.711 -7.930 -5.410 1.00 0.00 N ATOM 152 CA THR A 14 -0.281 -9.309 -5.610 1.00 0.00 C ATOM 153 C THR A 14 0.512 -9.818 -4.412 1.00 0.00 C ATOM 154 O THR A 14 1.054 -9.032 -3.635 1.00 0.00 O ATOM 155 CB THR A 14 0.581 -9.449 -6.879 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.141 -8.968 -8.018 1.00 0.00 O ATOM 157 CG2 THR A 14 0.982 -10.899 -7.103 1.00 0.00 C ATOM 0 H THR A 14 0.033 -7.239 -5.502 1.00 0.00 H new ATOM 0 HA THR A 14 -1.184 -9.908 -5.724 1.00 0.00 H new ATOM 0 HB THR A 14 1.485 -8.854 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.415 -9.059 -8.820 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.590 -10.973 -8.005 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.557 -11.254 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.087 -11.510 -7.218 1.00 0.00 H new ATOM 165 N VAL A 15 0.577 -11.138 -4.269 1.00 0.00 N ATOM 166 CA VAL A 15 1.306 -11.752 -3.166 1.00 0.00 C ATOM 167 C VAL A 15 2.791 -11.875 -3.489 1.00 0.00 C ATOM 168 O VAL A 15 3.166 -12.298 -4.582 1.00 0.00 O ATOM 169 CB VAL A 15 0.747 -13.148 -2.832 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.781 -14.044 -4.060 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.526 -13.772 -1.684 1.00 0.00 C ATOM 0 H VAL A 15 0.134 -11.802 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 15 1.178 -11.101 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.292 -13.040 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.382 -15.026 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.176 -13.601 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.809 -14.149 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.118 -14.758 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.575 -13.868 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.444 -13.137 -0.802 1.00 0.00 H new ATOM 181 N GLY A 16 3.633 -11.503 -2.530 1.00 0.00 N ATOM 182 CA GLY A 16 5.068 -11.579 -2.732 1.00 0.00 C ATOM 183 C GLY A 16 5.598 -10.433 -3.570 1.00 0.00 C ATOM 184 O GLY A 16 6.637 -9.853 -3.254 1.00 0.00 O ATOM 0 H GLY A 16 3.347 -11.150 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.568 -11.578 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.314 -12.524 -3.217 1.00 0.00 H new ATOM 188 N SER A 17 4.883 -10.106 -4.642 1.00 0.00 N ATOM 189 CA SER A 17 5.290 -9.024 -5.531 1.00 0.00 C ATOM 190 C SER A 17 5.189 -7.675 -4.827 1.00 0.00 C ATOM 191 O SER A 17 4.248 -7.425 -4.074 1.00 0.00 O ATOM 192 CB SER A 17 4.425 -9.020 -6.793 1.00 0.00 C ATOM 193 OG SER A 17 4.923 -9.934 -7.755 1.00 0.00 O ATOM 0 H SER A 17 4.019 -10.575 -4.916 1.00 0.00 H new ATOM 0 HA SER A 17 6.330 -9.190 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.399 -9.282 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.401 -8.017 -7.218 1.00 0.00 H new ATOM 0 HG SER A 17 4.352 -9.914 -8.551 1.00 0.00 H new ATOM 199 N ILE A 18 6.165 -6.809 -5.078 1.00 0.00 N ATOM 200 CA ILE A 18 6.187 -5.485 -4.470 1.00 0.00 C ATOM 201 C ILE A 18 4.902 -4.721 -4.771 1.00 0.00 C ATOM 202 O ILE A 18 4.453 -4.669 -5.917 1.00 0.00 O ATOM 203 CB ILE A 18 7.389 -4.658 -4.962 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.699 -5.377 -4.632 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.369 -3.270 -4.339 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.184 -5.131 -3.221 1.00 0.00 C ATOM 0 H ILE A 18 6.951 -7.001 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 18 6.276 -5.634 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 18 7.318 -4.550 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.563 -6.448 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.468 -5.054 -5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.225 -2.698 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.448 -2.759 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.419 -3.358 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.116 -5.671 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.352 -4.064 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.433 -5.480 -2.512 1.00 0.00 H new ATOM 218 N CYS A 19 4.316 -4.128 -3.737 1.00 0.00 N ATOM 219 CA CYS A 19 3.082 -3.365 -3.891 1.00 0.00 C ATOM 220 C CYS A 19 3.368 -1.867 -3.908 1.00 0.00 C ATOM 221 O CYS A 19 3.906 -1.317 -2.946 1.00 0.00 O ATOM 222 CB CYS A 19 2.108 -3.698 -2.760 1.00 0.00 C ATOM 223 SG CYS A 19 0.505 -2.874 -2.901 1.00 0.00 S ATOM 0 H CYS A 19 4.675 -4.161 -2.783 1.00 0.00 H new ATOM 0 HA CYS A 19 2.629 -3.641 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.950 -4.776 -2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.564 -3.422 -1.809 1.00 0.00 H new ATOM 0 HG CYS A 19 0.206 -2.309 -1.769 1.00 0.00 H new ATOM 229 N ASP A 20 3.006 -1.213 -5.006 1.00 0.00 N ATOM 230 CA ASP A 20 3.224 0.222 -5.148 1.00 0.00 C ATOM 231 C ASP A 20 1.923 0.992 -4.948 1.00 0.00 C ATOM 232 O ASP A 20 0.942 0.770 -5.658 1.00 0.00 O ATOM 233 CB ASP A 20 3.810 0.536 -6.526 1.00 0.00 C ATOM 234 CG ASP A 20 4.787 -0.524 -6.995 1.00 0.00 C ATOM 235 OD1 ASP A 20 4.332 -1.621 -7.380 1.00 0.00 O ATOM 236 OD2 ASP A 20 6.007 -0.257 -6.977 1.00 0.00 O ATOM 0 H ASP A 20 2.560 -1.654 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 20 3.932 0.535 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.000 0.625 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.315 1.501 -6.491 1.00 0.00 H new ATOM 241 N LEU A 21 1.921 1.896 -3.975 1.00 0.00 N ATOM 242 CA LEU A 21 0.739 2.699 -3.679 1.00 0.00 C ATOM 243 C LEU A 21 0.795 4.039 -4.407 1.00 0.00 C ATOM 244 O LEU A 21 1.843 4.681 -4.466 1.00 0.00 O ATOM 245 CB LEU A 21 0.619 2.930 -2.172 1.00 0.00 C ATOM 246 CG LEU A 21 -0.799 3.116 -1.632 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.665 1.915 -1.979 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.773 3.340 -0.127 1.00 0.00 C ATOM 0 H LEU A 21 2.724 2.092 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.137 2.153 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.074 2.083 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.204 3.812 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.232 3.999 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.671 2.066 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.712 1.801 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.234 1.016 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.791 3.470 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.319 2.478 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.190 4.233 0.098 1.00 0.00 H new ATOM 260 N ASN A 22 -0.341 4.455 -4.957 1.00 0.00 N ATOM 261 CA ASN A 22 -0.422 5.719 -5.680 1.00 0.00 C ATOM 262 C ASN A 22 -0.872 6.846 -4.755 1.00 0.00 C ATOM 263 O ASN A 22 -2.055 6.961 -4.428 1.00 0.00 O ATOM 264 CB ASN A 22 -1.387 5.596 -6.860 1.00 0.00 C ATOM 265 CG ASN A 22 -0.699 5.116 -8.123 1.00 0.00 C ATOM 266 OD1 ASN A 22 -0.447 5.897 -9.041 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.391 3.825 -8.175 1.00 0.00 N ATOM 0 H ASN A 22 -1.218 3.936 -4.916 1.00 0.00 H new ATOM 0 HA ASN A 22 0.572 5.957 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.188 4.903 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.851 6.564 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.073 3.444 -8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.619 3.214 -7.390 1.00 0.00 H new ATOM 274 N LEU A 23 0.076 7.677 -4.338 1.00 0.00 N ATOM 275 CA LEU A 23 -0.222 8.796 -3.451 1.00 0.00 C ATOM 276 C LEU A 23 0.355 10.096 -4.002 1.00 0.00 C ATOM 277 O LEU A 23 1.550 10.186 -4.286 1.00 0.00 O ATOM 278 CB LEU A 23 0.337 8.528 -2.053 1.00 0.00 C ATOM 279 CG LEU A 23 -0.481 7.582 -1.172 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.222 7.348 0.156 1.00 0.00 C ATOM 281 CD2 LEU A 23 -1.879 8.139 -0.947 1.00 0.00 C ATOM 0 H LEU A 23 1.059 7.597 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.305 8.899 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.341 8.117 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.435 9.481 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.571 6.625 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.375 6.673 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.202 6.905 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.344 8.298 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.447 7.453 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.809 9.109 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.384 8.254 -1.906 1.00 0.00 H new ATOM 293 N LYS A 24 -0.500 11.102 -4.148 1.00 0.00 N ATOM 294 CA LYS A 24 -0.076 12.400 -4.661 1.00 0.00 C ATOM 295 C LYS A 24 -0.612 13.531 -3.789 1.00 0.00 C ATOM 296 O LYS A 24 -1.613 14.164 -4.125 1.00 0.00 O ATOM 297 CB LYS A 24 -0.554 12.582 -6.103 1.00 0.00 C ATOM 298 CG LYS A 24 -2.027 12.268 -6.300 1.00 0.00 C ATOM 299 CD LYS A 24 -2.561 12.881 -7.583 1.00 0.00 C ATOM 300 CE LYS A 24 -2.685 14.392 -7.470 1.00 0.00 C ATOM 301 NZ LYS A 24 -3.769 14.927 -8.341 1.00 0.00 N ATOM 0 H LYS A 24 -1.492 11.044 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 24 1.013 12.434 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.366 13.610 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.036 11.940 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.169 11.188 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.597 12.645 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.897 12.630 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.536 12.451 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.885 14.663 -6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.737 14.856 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.821 15.960 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.566 14.690 -9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.678 14.504 -8.063 1.00 0.00 H new ATOM 315 N ILE A 25 0.061 13.780 -2.671 1.00 0.00 N ATOM 316 CA ILE A 25 -0.347 14.837 -1.754 1.00 0.00 C ATOM 317 C ILE A 25 0.659 15.983 -1.754 1.00 0.00 C ATOM 318 O ILE A 25 1.675 15.950 -1.059 1.00 0.00 O ATOM 319 CB ILE A 25 -0.503 14.306 -0.317 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.194 12.941 -0.326 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.287 15.296 0.532 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.214 12.264 1.026 1.00 0.00 C ATOM 0 H ILE A 25 0.891 13.264 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.312 15.204 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 25 0.489 14.188 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.219 13.064 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.688 12.292 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.389 14.906 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.758 16.249 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.276 15.443 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.719 11.302 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.192 12.109 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.746 12.893 1.740 1.00 0.00 H new ATOM 334 N PRO A 26 0.370 17.023 -2.550 1.00 0.00 N ATOM 335 CA PRO A 26 1.236 18.202 -2.657 1.00 0.00 C ATOM 336 C PRO A 26 1.228 19.045 -1.387 1.00 0.00 C ATOM 337 O PRO A 26 2.080 19.914 -1.203 1.00 0.00 O ATOM 338 CB PRO A 26 0.627 18.984 -3.823 1.00 0.00 C ATOM 339 CG PRO A 26 -0.803 18.565 -3.855 1.00 0.00 C ATOM 340 CD PRO A 26 -0.823 17.130 -3.405 1.00 0.00 C ATOM 0 HA PRO A 26 2.280 17.929 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.721 20.059 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.129 18.750 -4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.408 19.189 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.217 18.665 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.734 16.894 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.774 16.443 -4.250 1.00 0.00 H new ATOM 348 N GLU A 27 0.260 18.783 -0.514 1.00 0.00 N ATOM 349 CA GLU A 27 0.142 19.520 0.739 1.00 0.00 C ATOM 350 C GLU A 27 0.988 18.872 1.832 1.00 0.00 C ATOM 351 O GLU A 27 1.332 19.513 2.826 1.00 0.00 O ATOM 352 CB GLU A 27 -1.321 19.586 1.182 1.00 0.00 C ATOM 353 CG GLU A 27 -1.497 19.933 2.650 1.00 0.00 C ATOM 354 CD GLU A 27 -2.810 20.639 2.929 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.845 20.203 2.382 1.00 0.00 O ATOM 356 OE2 GLU A 27 -2.803 21.626 3.693 1.00 0.00 O ATOM 0 H GLU A 27 -0.453 18.067 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 27 0.509 20.533 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.842 20.328 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.795 18.624 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.446 19.020 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.672 20.569 2.971 1.00 0.00 H new ATOM 363 N ILE A 28 1.317 17.599 1.641 1.00 0.00 N ATOM 364 CA ILE A 28 2.121 16.865 2.610 1.00 0.00 C ATOM 365 C ILE A 28 3.374 16.288 1.960 1.00 0.00 C ATOM 366 O ILE A 28 3.363 15.921 0.786 1.00 0.00 O ATOM 367 CB ILE A 28 1.319 15.721 3.257 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.042 16.264 3.901 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.170 14.993 4.287 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.888 15.183 4.405 1.00 0.00 C ATOM 0 H ILE A 28 1.039 17.055 0.824 1.00 0.00 H new ATOM 0 HA ILE A 28 2.410 17.577 3.383 1.00 0.00 H new ATOM 0 HB ILE A 28 1.038 15.011 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.313 16.915 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.489 16.879 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.589 14.187 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.053 14.577 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.479 15.693 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.772 15.641 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.189 14.545 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.375 14.583 5.156 1.00 0.00 H new ATOM 382 N ASN A 29 4.453 16.211 2.732 1.00 0.00 N ATOM 383 CA ASN A 29 5.714 15.677 2.232 1.00 0.00 C ATOM 384 C ASN A 29 5.989 14.294 2.814 1.00 0.00 C ATOM 385 O ASN A 29 5.447 13.929 3.857 1.00 0.00 O ATOM 386 CB ASN A 29 6.865 16.625 2.575 1.00 0.00 C ATOM 387 CG ASN A 29 6.717 17.979 1.909 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.254 18.077 0.772 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.112 19.032 2.615 1.00 0.00 N ATOM 0 H ASN A 29 4.479 16.512 3.706 1.00 0.00 H new ATOM 0 HA ASN A 29 5.637 15.586 1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.913 16.758 3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.808 16.173 2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.038 19.969 2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.490 18.904 3.554 1.00 0.00 H new ATOM 396 N SER A 30 6.835 13.528 2.132 1.00 0.00 N ATOM 397 CA SER A 30 7.180 12.184 2.580 1.00 0.00 C ATOM 398 C SER A 30 7.959 12.231 3.891 1.00 0.00 C ATOM 399 O SER A 30 7.888 11.307 4.701 1.00 0.00 O ATOM 400 CB SER A 30 8.002 11.463 1.510 1.00 0.00 C ATOM 401 OG SER A 30 7.228 11.222 0.348 1.00 0.00 O ATOM 0 H SER A 30 7.294 13.815 1.268 1.00 0.00 H new ATOM 0 HA SER A 30 6.254 11.635 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.874 12.063 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.372 10.518 1.907 1.00 0.00 H new ATOM 0 HG SER A 30 6.399 11.743 0.393 1.00 0.00 H new ATOM 407 N SER A 31 8.702 13.314 4.092 1.00 0.00 N ATOM 408 CA SER A 31 9.499 13.481 5.302 1.00 0.00 C ATOM 409 C SER A 31 8.603 13.555 6.535 1.00 0.00 C ATOM 410 O SER A 31 9.009 13.174 7.634 1.00 0.00 O ATOM 411 CB SER A 31 10.355 14.745 5.204 1.00 0.00 C ATOM 412 OG SER A 31 10.926 15.073 6.459 1.00 0.00 O ATOM 0 H SER A 31 8.769 14.089 3.433 1.00 0.00 H new ATOM 0 HA SER A 31 10.153 12.615 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.146 14.596 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.744 15.575 4.851 1.00 0.00 H new ATOM 0 HG SER A 31 11.470 15.884 6.369 1.00 0.00 H new ATOM 418 N ASP A 32 7.384 14.046 6.345 1.00 0.00 N ATOM 419 CA ASP A 32 6.430 14.169 7.441 1.00 0.00 C ATOM 420 C ASP A 32 5.341 13.105 7.335 1.00 0.00 C ATOM 421 O ASP A 32 4.250 13.263 7.881 1.00 0.00 O ATOM 422 CB ASP A 32 5.799 15.562 7.442 1.00 0.00 C ATOM 423 CG ASP A 32 6.804 16.652 7.757 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.698 16.895 6.920 1.00 0.00 O ATOM 425 OD2 ASP A 32 6.698 17.263 8.842 1.00 0.00 O ATOM 0 H ASP A 32 7.033 14.365 5.442 1.00 0.00 H new ATOM 0 HA ASP A 32 6.969 14.021 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.351 15.755 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.993 15.592 8.175 1.00 0.00 H new ATOM 430 N MET A 33 5.647 12.021 6.629 1.00 0.00 N ATOM 431 CA MET A 33 4.695 10.931 6.452 1.00 0.00 C ATOM 432 C MET A 33 5.228 9.639 7.063 1.00 0.00 C ATOM 433 O MET A 33 6.435 9.478 7.240 1.00 0.00 O ATOM 434 CB MET A 33 4.396 10.722 4.967 1.00 0.00 C ATOM 435 CG MET A 33 3.260 11.587 4.447 1.00 0.00 C ATOM 436 SD MET A 33 2.362 10.814 3.088 1.00 0.00 S ATOM 437 CE MET A 33 3.650 10.712 1.847 1.00 0.00 C ATOM 0 H MET A 33 6.546 11.874 6.171 1.00 0.00 H new ATOM 0 HA MET A 33 3.772 11.201 6.966 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.296 10.934 4.390 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.150 9.674 4.799 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.567 11.798 5.262 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.661 12.544 4.114 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.312 10.085 1.022 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.876 11.711 1.474 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.547 10.278 2.288 1.00 0.00 H new ATOM 447 N SER A 34 4.321 8.722 7.382 1.00 0.00 N ATOM 448 CA SER A 34 4.700 7.445 7.977 1.00 0.00 C ATOM 449 C SER A 34 3.693 6.358 7.617 1.00 0.00 C ATOM 450 O SER A 34 2.530 6.418 8.013 1.00 0.00 O ATOM 451 CB SER A 34 4.804 7.578 9.497 1.00 0.00 C ATOM 452 OG SER A 34 3.566 7.979 10.060 1.00 0.00 O ATOM 0 H SER A 34 3.318 8.839 7.239 1.00 0.00 H new ATOM 0 HA SER A 34 5.673 7.160 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.112 6.625 9.928 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.575 8.306 9.750 1.00 0.00 H new ATOM 0 HG SER A 34 2.831 7.569 9.558 1.00 0.00 H new ATOM 458 N ALA A 35 4.150 5.363 6.863 1.00 0.00 N ATOM 459 CA ALA A 35 3.291 4.260 6.451 1.00 0.00 C ATOM 460 C ALA A 35 3.700 2.960 7.134 1.00 0.00 C ATOM 461 O ALA A 35 4.874 2.589 7.133 1.00 0.00 O ATOM 462 CB ALA A 35 3.329 4.098 4.938 1.00 0.00 C ATOM 0 H ALA A 35 5.110 5.299 6.525 1.00 0.00 H new ATOM 0 HA ALA A 35 2.271 4.494 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.683 3.271 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.981 5.016 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.351 3.891 4.620 1.00 0.00 H new ATOM 468 N HIS A 36 2.725 2.272 7.719 1.00 0.00 N ATOM 469 CA HIS A 36 2.984 1.012 8.407 1.00 0.00 C ATOM 470 C HIS A 36 2.042 -0.081 7.913 1.00 0.00 C ATOM 471 O HIS A 36 0.822 0.041 8.020 1.00 0.00 O ATOM 472 CB HIS A 36 2.829 1.191 9.918 1.00 0.00 C ATOM 473 CG HIS A 36 3.671 2.294 10.481 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.180 3.553 10.751 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.980 2.320 10.826 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.150 4.307 11.236 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.253 3.582 11.293 1.00 0.00 N ATOM 0 H HIS A 36 1.748 2.566 7.731 1.00 0.00 H new ATOM 0 HA HIS A 36 4.008 0.710 8.187 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.782 1.392 10.146 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.090 0.256 10.415 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.679 1.501 10.748 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.057 5.341 11.535 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.160 3.907 11.629 1.00 0.00 H new ATOM 486 N VAL A 37 2.617 -1.150 7.370 1.00 0.00 N ATOM 487 CA VAL A 37 1.829 -2.266 6.859 1.00 0.00 C ATOM 488 C VAL A 37 1.426 -3.214 7.983 1.00 0.00 C ATOM 489 O VAL A 37 2.239 -4.000 8.470 1.00 0.00 O ATOM 490 CB VAL A 37 2.604 -3.056 5.789 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.806 -4.271 5.340 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.940 -2.162 4.605 1.00 0.00 C ATOM 0 H VAL A 37 3.626 -1.267 7.273 1.00 0.00 H new ATOM 0 HA VAL A 37 0.933 -1.841 6.408 1.00 0.00 H new ATOM 0 HB VAL A 37 3.539 -3.406 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.370 -4.817 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.621 -4.921 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.854 -3.946 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.488 -2.737 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.019 -1.780 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.554 -1.327 4.942 1.00 0.00 H new ATOM 502 N THR A 38 0.163 -3.135 8.392 1.00 0.00 N ATOM 503 CA THR A 38 -0.350 -3.985 9.459 1.00 0.00 C ATOM 504 C THR A 38 -0.884 -5.301 8.904 1.00 0.00 C ATOM 505 O THR A 38 -1.558 -5.324 7.874 1.00 0.00 O ATOM 506 CB THR A 38 -1.469 -3.282 10.249 1.00 0.00 C ATOM 507 OG1 THR A 38 -0.964 -2.086 10.854 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.033 -4.200 11.323 1.00 0.00 C ATOM 0 H THR A 38 -0.523 -2.490 8.000 1.00 0.00 H new ATOM 0 HA THR A 38 0.485 -4.188 10.130 1.00 0.00 H new ATOM 0 HB THR A 38 -2.269 -3.028 9.554 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.682 -1.644 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.822 -3.681 11.868 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.443 -5.096 10.857 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.239 -4.481 12.015 1.00 0.00 H new ATOM 516 N SER A 39 -0.581 -6.395 9.595 1.00 0.00 N ATOM 517 CA SER A 39 -1.029 -7.716 9.169 1.00 0.00 C ATOM 518 C SER A 39 -2.260 -8.152 9.957 1.00 0.00 C ATOM 519 O SER A 39 -2.477 -7.741 11.097 1.00 0.00 O ATOM 520 CB SER A 39 0.094 -8.741 9.347 1.00 0.00 C ATOM 521 OG SER A 39 0.264 -9.078 10.713 1.00 0.00 O ATOM 0 H SER A 39 -0.028 -6.393 10.452 1.00 0.00 H new ATOM 0 HA SER A 39 -1.296 -7.659 8.114 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.135 -9.639 8.773 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.025 -8.338 8.950 1.00 0.00 H new ATOM 0 HG SER A 39 0.144 -10.044 10.829 1.00 0.00 H new ATOM 527 N PRO A 40 -3.087 -9.006 9.336 1.00 0.00 N ATOM 528 CA PRO A 40 -4.311 -9.517 9.960 1.00 0.00 C ATOM 529 C PRO A 40 -4.019 -10.481 11.105 1.00 0.00 C ATOM 530 O PRO A 40 -4.928 -10.909 11.816 1.00 0.00 O ATOM 531 CB PRO A 40 -5.015 -10.248 8.813 1.00 0.00 C ATOM 532 CG PRO A 40 -3.920 -10.630 7.879 1.00 0.00 C ATOM 533 CD PRO A 40 -2.891 -9.538 7.977 1.00 0.00 C ATOM 0 HA PRO A 40 -4.906 -8.719 10.405 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.552 -11.125 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.747 -9.605 8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.492 -11.595 8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.293 -10.725 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.881 -9.924 7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.046 -8.770 7.219 1.00 0.00 H new ATOM 541 N SER A 41 -2.745 -10.817 11.279 1.00 0.00 N ATOM 542 CA SER A 41 -2.334 -11.733 12.336 1.00 0.00 C ATOM 543 C SER A 41 -1.910 -10.966 13.585 1.00 0.00 C ATOM 544 O SER A 41 -1.778 -11.540 14.665 1.00 0.00 O ATOM 545 CB SER A 41 -1.184 -12.619 11.854 1.00 0.00 C ATOM 546 OG SER A 41 0.046 -11.915 11.872 1.00 0.00 O ATOM 0 H SER A 41 -1.980 -10.469 10.702 1.00 0.00 H new ATOM 0 HA SER A 41 -3.187 -12.363 12.589 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.110 -13.502 12.489 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.391 -12.970 10.843 1.00 0.00 H new ATOM 0 HG SER A 41 0.765 -12.504 11.561 1.00 0.00 H new ATOM 552 N GLY A 42 -1.699 -9.663 13.428 1.00 0.00 N ATOM 553 CA GLY A 42 -1.292 -8.837 14.550 1.00 0.00 C ATOM 554 C GLY A 42 0.150 -8.383 14.443 1.00 0.00 C ATOM 555 O GLY A 42 0.776 -8.038 15.446 1.00 0.00 O ATOM 0 H GLY A 42 -1.803 -9.165 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.941 -7.963 14.608 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.426 -9.396 15.476 1.00 0.00 H new ATOM 559 N ARG A 43 0.680 -8.383 13.224 1.00 0.00 N ATOM 560 CA ARG A 43 2.059 -7.970 12.990 1.00 0.00 C ATOM 561 C ARG A 43 2.117 -6.787 12.029 1.00 0.00 C ATOM 562 O ARG A 43 1.631 -6.866 10.900 1.00 0.00 O ATOM 563 CB ARG A 43 2.874 -9.137 12.430 1.00 0.00 C ATOM 564 CG ARG A 43 4.361 -8.841 12.314 1.00 0.00 C ATOM 565 CD ARG A 43 5.021 -9.709 11.254 1.00 0.00 C ATOM 566 NE ARG A 43 5.202 -11.085 11.708 1.00 0.00 N ATOM 567 CZ ARG A 43 5.487 -12.095 10.894 1.00 0.00 C ATOM 568 NH1 ARG A 43 5.622 -11.885 9.592 1.00 0.00 N ATOM 569 NH2 ARG A 43 5.637 -13.320 11.382 1.00 0.00 N ATOM 0 H ARG A 43 0.176 -8.664 12.383 1.00 0.00 H new ATOM 0 HA ARG A 43 2.487 -7.661 13.944 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.734 -10.007 13.071 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.487 -9.400 11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.505 -7.789 12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.843 -9.011 13.277 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.412 -9.703 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.989 -9.284 10.989 1.00 0.00 H new ATOM 0 HE ARG A 43 5.104 -11.281 12.704 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.507 -10.945 9.212 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.841 -12.663 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.533 -13.486 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.856 -14.095 10.756 1.00 0.00 H new ATOM 583 N VAL A 44 2.713 -5.690 12.485 1.00 0.00 N ATOM 584 CA VAL A 44 2.835 -4.490 11.666 1.00 0.00 C ATOM 585 C VAL A 44 4.295 -4.085 11.498 1.00 0.00 C ATOM 586 O VAL A 44 5.093 -4.195 12.430 1.00 0.00 O ATOM 587 CB VAL A 44 2.054 -3.311 12.276 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.389 -3.156 13.752 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.347 -2.027 11.516 1.00 0.00 C ATOM 0 H VAL A 44 3.119 -5.608 13.417 1.00 0.00 H new ATOM 0 HA VAL A 44 2.413 -4.730 10.690 1.00 0.00 H new ATOM 0 HB VAL A 44 0.988 -3.521 12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.828 -2.318 14.166 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.122 -4.070 14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.457 -2.969 13.865 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.787 -1.205 11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.414 -1.809 11.568 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.051 -2.146 10.474 1.00 0.00 H new ATOM 599 N THR A 45 4.640 -3.614 10.304 1.00 0.00 N ATOM 600 CA THR A 45 6.005 -3.193 10.013 1.00 0.00 C ATOM 601 C THR A 45 6.032 -1.794 9.409 1.00 0.00 C ATOM 602 O THR A 45 4.985 -1.190 9.173 1.00 0.00 O ATOM 603 CB THR A 45 6.701 -4.170 9.047 1.00 0.00 C ATOM 604 OG1 THR A 45 5.737 -4.760 8.168 1.00 0.00 O ATOM 605 CG2 THR A 45 7.430 -5.263 9.815 1.00 0.00 C ATOM 0 H THR A 45 3.992 -3.514 9.522 1.00 0.00 H new ATOM 0 HA THR A 45 6.542 -3.187 10.961 1.00 0.00 H new ATOM 0 HB THR A 45 7.431 -3.610 8.462 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.188 -5.379 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.914 -5.941 9.112 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.183 -4.813 10.462 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.716 -5.819 10.422 1.00 0.00 H new ATOM 613 N GLU A 46 7.234 -1.284 9.160 1.00 0.00 N ATOM 614 CA GLU A 46 7.395 0.045 8.583 1.00 0.00 C ATOM 615 C GLU A 46 7.497 -0.031 7.062 1.00 0.00 C ATOM 616 O GLU A 46 8.044 -0.986 6.513 1.00 0.00 O ATOM 617 CB GLU A 46 8.639 0.727 9.155 1.00 0.00 C ATOM 618 CG GLU A 46 8.791 2.176 8.726 1.00 0.00 C ATOM 619 CD GLU A 46 8.083 3.139 9.659 1.00 0.00 C ATOM 620 OE1 GLU A 46 8.676 3.507 10.694 1.00 0.00 O ATOM 621 OE2 GLU A 46 6.935 3.524 9.354 1.00 0.00 O ATOM 0 H GLU A 46 8.110 -1.771 9.349 1.00 0.00 H new ATOM 0 HA GLU A 46 6.515 0.634 8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.600 0.681 10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.523 0.170 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.850 2.429 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.395 2.296 7.718 1.00 0.00 H new ATOM 628 N ALA A 47 6.965 0.984 6.388 1.00 0.00 N ATOM 629 CA ALA A 47 6.997 1.033 4.932 1.00 0.00 C ATOM 630 C ALA A 47 7.945 2.122 4.440 1.00 0.00 C ATOM 631 O ALA A 47 8.275 3.049 5.178 1.00 0.00 O ATOM 632 CB ALA A 47 5.598 1.261 4.380 1.00 0.00 C ATOM 0 H ALA A 47 6.507 1.783 6.827 1.00 0.00 H new ATOM 0 HA ALA A 47 7.367 0.074 4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.638 1.295 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.946 0.446 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.207 2.205 4.759 1.00 0.00 H new ATOM 638 N GLU A 48 8.381 2.001 3.190 1.00 0.00 N ATOM 639 CA GLU A 48 9.293 2.975 2.602 1.00 0.00 C ATOM 640 C GLU A 48 8.560 3.881 1.617 1.00 0.00 C ATOM 641 O GLU A 48 7.761 3.414 0.804 1.00 0.00 O ATOM 642 CB GLU A 48 10.447 2.263 1.894 1.00 0.00 C ATOM 643 CG GLU A 48 11.339 3.197 1.093 1.00 0.00 C ATOM 644 CD GLU A 48 12.701 2.597 0.804 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.574 2.649 1.695 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.894 2.077 -0.315 1.00 0.00 O ATOM 0 H GLU A 48 8.118 1.239 2.566 1.00 0.00 H new ATOM 0 HA GLU A 48 9.694 3.591 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.053 1.744 2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.040 1.503 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.848 3.444 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.466 4.131 1.641 1.00 0.00 H new ATOM 653 N ILE A 49 8.836 5.178 1.697 1.00 0.00 N ATOM 654 CA ILE A 49 8.204 6.150 0.813 1.00 0.00 C ATOM 655 C ILE A 49 9.184 6.654 -0.241 1.00 0.00 C ATOM 656 O ILE A 49 9.850 7.671 -0.049 1.00 0.00 O ATOM 657 CB ILE A 49 7.652 7.352 1.601 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.784 6.871 2.766 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.856 8.267 0.683 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.325 7.987 3.678 1.00 0.00 C ATOM 0 H ILE A 49 9.493 5.580 2.365 1.00 0.00 H new ATOM 0 HA ILE A 49 7.377 5.638 0.321 1.00 0.00 H new ATOM 0 HB ILE A 49 8.491 7.917 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.910 6.355 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.346 6.143 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.472 9.112 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.502 8.632 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.023 7.713 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.715 7.573 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.194 8.489 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.735 8.704 3.107 1.00 0.00 H new ATOM 672 N VAL A 50 9.267 5.935 -1.356 1.00 0.00 N ATOM 673 CA VAL A 50 10.163 6.311 -2.443 1.00 0.00 C ATOM 674 C VAL A 50 9.693 7.590 -3.126 1.00 0.00 C ATOM 675 O VAL A 50 8.554 7.698 -3.582 1.00 0.00 O ATOM 676 CB VAL A 50 10.271 5.190 -3.494 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.422 5.464 -4.451 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.441 3.839 -2.817 1.00 0.00 C ATOM 0 H VAL A 50 8.725 5.089 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 50 11.145 6.480 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 50 9.347 5.168 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.483 4.662 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.253 6.412 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.356 5.515 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.516 3.059 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.348 3.846 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.581 3.642 -2.177 1.00 0.00 H new ATOM 688 N PRO A 51 10.590 8.585 -3.201 1.00 0.00 N ATOM 689 CA PRO A 51 10.290 9.875 -3.829 1.00 0.00 C ATOM 690 C PRO A 51 10.141 9.764 -5.342 1.00 0.00 C ATOM 691 O PRO A 51 11.128 9.802 -6.076 1.00 0.00 O ATOM 692 CB PRO A 51 11.506 10.734 -3.472 1.00 0.00 C ATOM 693 CG PRO A 51 12.609 9.757 -3.256 1.00 0.00 C ATOM 694 CD PRO A 51 11.965 8.526 -2.680 1.00 0.00 C ATOM 0 HA PRO A 51 9.343 10.287 -3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.747 11.432 -4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.322 11.328 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.118 9.529 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.359 10.160 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.477 7.618 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.983 8.536 -1.590 1.00 0.00 H new ATOM 702 N MET A 52 8.902 9.626 -5.802 1.00 0.00 N ATOM 703 CA MET A 52 8.625 9.510 -7.229 1.00 0.00 C ATOM 704 C MET A 52 8.850 10.843 -7.936 1.00 0.00 C ATOM 705 O MET A 52 9.353 10.885 -9.058 1.00 0.00 O ATOM 706 CB MET A 52 7.189 9.035 -7.455 1.00 0.00 C ATOM 707 CG MET A 52 7.037 7.523 -7.426 1.00 0.00 C ATOM 708 SD MET A 52 7.609 6.738 -8.945 1.00 0.00 S ATOM 709 CE MET A 52 8.392 5.266 -8.292 1.00 0.00 C ATOM 0 H MET A 52 8.074 9.592 -5.207 1.00 0.00 H new ATOM 0 HA MET A 52 9.312 8.776 -7.649 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.546 9.471 -6.690 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.839 9.409 -8.417 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.597 7.122 -6.581 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.989 7.270 -7.263 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.796 4.674 -9.113 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.200 5.552 -7.619 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.657 4.675 -7.746 1.00 0.00 H new ATOM 719 N GLY A 53 8.472 11.932 -7.272 1.00 0.00 N ATOM 720 CA GLY A 53 8.640 13.251 -7.853 1.00 0.00 C ATOM 721 C GLY A 53 8.564 14.355 -6.817 1.00 0.00 C ATOM 722 O GLY A 53 9.110 14.226 -5.721 1.00 0.00 O ATOM 0 H GLY A 53 8.053 11.924 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.603 13.300 -8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.871 13.412 -8.609 1.00 0.00 H new ATOM 726 N LYS A 54 7.887 15.444 -7.164 1.00 0.00 N ATOM 727 CA LYS A 54 7.741 16.576 -6.257 1.00 0.00 C ATOM 728 C LYS A 54 6.665 16.301 -5.212 1.00 0.00 C ATOM 729 O LYS A 54 6.959 16.167 -4.025 1.00 0.00 O ATOM 730 CB LYS A 54 7.393 17.843 -7.041 1.00 0.00 C ATOM 731 CG LYS A 54 8.591 18.490 -7.714 1.00 0.00 C ATOM 732 CD LYS A 54 8.380 19.981 -7.915 1.00 0.00 C ATOM 733 CE LYS A 54 7.702 20.274 -9.244 1.00 0.00 C ATOM 734 NZ LYS A 54 7.714 21.728 -9.565 1.00 0.00 N ATOM 0 H LYS A 54 7.430 15.567 -8.068 1.00 0.00 H new ATOM 0 HA LYS A 54 8.692 16.723 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.649 17.598 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.933 18.564 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.482 18.326 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.769 18.014 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.773 20.377 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.341 20.494 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.206 19.723 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.672 19.918 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.242 21.886 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.211 22.252 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.697 22.063 -9.620 1.00 0.00 H new ATOM 748 N ASN A 55 5.417 16.216 -5.662 1.00 0.00 N ATOM 749 CA ASN A 55 4.297 15.955 -4.765 1.00 0.00 C ATOM 750 C ASN A 55 3.770 14.536 -4.952 1.00 0.00 C ATOM 751 O ASN A 55 2.570 14.288 -4.835 1.00 0.00 O ATOM 752 CB ASN A 55 3.174 16.965 -5.012 1.00 0.00 C ATOM 753 CG ASN A 55 2.950 17.232 -6.488 1.00 0.00 C ATOM 754 OD1 ASN A 55 3.902 17.419 -7.247 1.00 0.00 O ATOM 755 ND2 ASN A 55 1.689 17.252 -6.901 1.00 0.00 N ATOM 0 H ASN A 55 5.156 16.324 -6.642 1.00 0.00 H new ATOM 0 HA ASN A 55 4.652 16.059 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.250 16.593 -4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.414 17.901 -4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.477 17.428 -7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.932 17.092 -6.236 1.00 0.00 H new ATOM 762 N SER A 56 4.676 13.607 -5.241 1.00 0.00 N ATOM 763 CA SER A 56 4.302 12.213 -5.447 1.00 0.00 C ATOM 764 C SER A 56 5.042 11.303 -4.472 1.00 0.00 C ATOM 765 O SER A 56 6.211 11.531 -4.156 1.00 0.00 O ATOM 766 CB SER A 56 4.603 11.789 -6.886 1.00 0.00 C ATOM 767 OG SER A 56 3.706 12.402 -7.796 1.00 0.00 O ATOM 0 H SER A 56 5.674 13.795 -5.338 1.00 0.00 H new ATOM 0 HA SER A 56 3.231 12.119 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.627 12.060 -7.142 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.529 10.705 -6.972 1.00 0.00 H new ATOM 0 HG SER A 56 3.920 12.117 -8.709 1.00 0.00 H new ATOM 773 N HIS A 57 4.354 10.269 -3.997 1.00 0.00 N ATOM 774 CA HIS A 57 4.945 9.323 -3.058 1.00 0.00 C ATOM 775 C HIS A 57 4.560 7.891 -3.415 1.00 0.00 C ATOM 776 O HIS A 57 3.395 7.601 -3.689 1.00 0.00 O ATOM 777 CB HIS A 57 4.499 9.643 -1.631 1.00 0.00 C ATOM 778 CG HIS A 57 4.238 11.099 -1.397 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.244 12.035 -1.280 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.076 11.779 -1.259 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.712 13.227 -1.080 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.398 13.100 -1.063 1.00 0.00 N ATOM 0 H HIS A 57 3.386 10.065 -4.247 1.00 0.00 H new ATOM 0 HA HIS A 57 6.029 9.415 -3.121 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.593 9.079 -1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.266 9.303 -0.935 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.243 11.837 -1.339 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.081 11.361 -1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.259 14.149 -0.952 1.00 0.00 H new ATOM 791 N CYS A 58 5.545 7.000 -3.410 1.00 0.00 N ATOM 792 CA CYS A 58 5.309 5.597 -3.734 1.00 0.00 C ATOM 793 C CYS A 58 5.668 4.698 -2.556 1.00 0.00 C ATOM 794 O CYS A 58 6.788 4.742 -2.046 1.00 0.00 O ATOM 795 CB CYS A 58 6.122 5.194 -4.965 1.00 0.00 C ATOM 796 SG CYS A 58 5.399 3.837 -5.916 1.00 0.00 S ATOM 0 H CYS A 58 6.514 7.224 -3.185 1.00 0.00 H new ATOM 0 HA CYS A 58 4.248 5.473 -3.951 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.230 6.062 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.124 4.907 -4.647 1.00 0.00 H new ATOM 0 HG CYS A 58 5.087 2.863 -5.114 1.00 0.00 H new ATOM 802 N VAL A 59 4.710 3.884 -2.126 1.00 0.00 N ATOM 803 CA VAL A 59 4.924 2.975 -1.007 1.00 0.00 C ATOM 804 C VAL A 59 5.189 1.555 -1.495 1.00 0.00 C ATOM 805 O VAL A 59 4.300 0.898 -2.036 1.00 0.00 O ATOM 806 CB VAL A 59 3.713 2.961 -0.055 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.958 2.011 1.107 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.415 4.366 0.448 1.00 0.00 C ATOM 0 H VAL A 59 3.777 3.835 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 59 5.798 3.339 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 59 2.843 2.605 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.092 2.015 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.119 1.003 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.839 2.334 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.557 4.338 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.282 4.752 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.192 5.016 -0.398 1.00 0.00 H new ATOM 818 N ARG A 60 6.417 1.087 -1.299 1.00 0.00 N ATOM 819 CA ARG A 60 6.800 -0.255 -1.720 1.00 0.00 C ATOM 820 C ARG A 60 6.893 -1.195 -0.522 1.00 0.00 C ATOM 821 O ARG A 60 7.592 -0.910 0.451 1.00 0.00 O ATOM 822 CB ARG A 60 8.139 -0.218 -2.459 1.00 0.00 C ATOM 823 CG ARG A 60 8.004 0.024 -3.953 1.00 0.00 C ATOM 824 CD ARG A 60 9.355 0.291 -4.599 1.00 0.00 C ATOM 825 NE ARG A 60 10.117 -0.938 -4.801 1.00 0.00 N ATOM 826 CZ ARG A 60 11.112 -1.050 -5.675 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.462 -0.013 -6.423 1.00 0.00 N ATOM 828 NH2 ARG A 60 11.758 -2.202 -5.802 1.00 0.00 N ATOM 0 H ARG A 60 7.164 1.618 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 60 6.031 -0.630 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.761 0.566 -2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.659 -1.162 -2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.540 -0.843 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.342 0.873 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.207 0.787 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.928 0.974 -3.972 1.00 0.00 H new ATOM 0 HE ARG A 60 9.872 -1.755 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.967 0.874 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.226 -0.102 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.491 -3.002 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.522 -2.287 -6.473 1.00 0.00 H new ATOM 842 N PHE A 61 6.184 -2.316 -0.599 1.00 0.00 N ATOM 843 CA PHE A 61 6.185 -3.297 0.480 1.00 0.00 C ATOM 844 C PHE A 61 5.881 -4.694 -0.055 1.00 0.00 C ATOM 845 O PHE A 61 5.431 -4.852 -1.190 1.00 0.00 O ATOM 846 CB PHE A 61 5.159 -2.913 1.548 1.00 0.00 C ATOM 847 CG PHE A 61 3.741 -2.939 1.054 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.122 -4.140 0.747 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.027 -1.762 0.896 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.817 -4.168 0.293 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.722 -1.783 0.442 1.00 0.00 C ATOM 852 CZ PHE A 61 1.116 -2.987 0.139 1.00 0.00 C ATOM 0 H PHE A 61 5.601 -2.568 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 61 7.179 -3.307 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.253 -3.595 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.388 -1.914 1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.666 -5.066 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.496 -0.818 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.346 -5.111 0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.176 -0.859 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.097 -3.005 -0.217 1.00 0.00 H new ATOM 862 N VAL A 62 6.131 -5.704 0.771 1.00 0.00 N ATOM 863 CA VAL A 62 5.884 -7.088 0.383 1.00 0.00 C ATOM 864 C VAL A 62 4.743 -7.691 1.193 1.00 0.00 C ATOM 865 O VAL A 62 4.919 -8.130 2.330 1.00 0.00 O ATOM 866 CB VAL A 62 7.144 -7.956 0.566 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.945 -9.326 -0.063 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.360 -7.260 -0.025 1.00 0.00 C ATOM 0 H VAL A 62 6.504 -5.590 1.713 1.00 0.00 H new ATOM 0 HA VAL A 62 5.610 -7.076 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 62 7.317 -8.095 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.845 -9.925 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.100 -9.825 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.747 -9.212 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.241 -7.887 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.200 -7.089 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.512 -6.305 0.477 1.00 0.00 H new ATOM 878 N PRO A 63 3.542 -7.715 0.597 1.00 0.00 N ATOM 879 CA PRO A 63 2.347 -8.263 1.245 1.00 0.00 C ATOM 880 C PRO A 63 2.412 -9.779 1.394 1.00 0.00 C ATOM 881 O PRO A 63 3.378 -10.412 0.970 1.00 0.00 O ATOM 882 CB PRO A 63 1.214 -7.868 0.294 1.00 0.00 C ATOM 883 CG PRO A 63 1.871 -7.718 -1.035 1.00 0.00 C ATOM 884 CD PRO A 63 3.258 -7.209 -0.757 1.00 0.00 C ATOM 0 HA PRO A 63 2.223 -7.882 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.436 -8.630 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.739 -6.939 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.904 -8.671 -1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.319 -7.022 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.977 -7.584 -1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.302 -6.121 -0.797 1.00 0.00 H new ATOM 892 N GLN A 64 1.378 -10.355 1.999 1.00 0.00 N ATOM 893 CA GLN A 64 1.319 -11.797 2.204 1.00 0.00 C ATOM 894 C GLN A 64 0.228 -12.425 1.343 1.00 0.00 C ATOM 895 O GLN A 64 -0.551 -11.721 0.701 1.00 0.00 O ATOM 896 CB GLN A 64 1.067 -12.114 3.679 1.00 0.00 C ATOM 897 CG GLN A 64 2.249 -11.793 4.580 1.00 0.00 C ATOM 898 CD GLN A 64 3.443 -12.689 4.317 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.620 -13.717 4.972 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.272 -12.303 3.354 1.00 0.00 N ATOM 0 H GLN A 64 0.570 -9.845 2.356 1.00 0.00 H new ATOM 0 HA GLN A 64 2.279 -12.220 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.198 -11.552 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.822 -13.171 3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.541 -10.753 4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.945 -11.895 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.087 -11.444 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.093 -12.866 3.132 1.00 0.00 H new ATOM 909 N GLU A 65 0.178 -13.754 1.335 1.00 0.00 N ATOM 910 CA GLU A 65 -0.817 -14.476 0.551 1.00 0.00 C ATOM 911 C GLU A 65 -2.144 -14.557 1.300 1.00 0.00 C ATOM 912 O GLU A 65 -2.173 -14.620 2.529 1.00 0.00 O ATOM 913 CB GLU A 65 -0.317 -15.884 0.223 1.00 0.00 C ATOM 914 CG GLU A 65 0.370 -16.573 1.390 1.00 0.00 C ATOM 915 CD GLU A 65 1.860 -16.296 1.435 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.536 -16.514 0.408 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.350 -15.861 2.499 1.00 0.00 O ATOM 0 H GLU A 65 0.815 -14.352 1.862 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.976 -13.930 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.160 -16.493 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.378 -15.828 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.086 -16.241 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.206 -17.648 1.320 1.00 0.00 H new ATOM 924 N MET A 66 -3.241 -14.553 0.550 1.00 0.00 N ATOM 925 CA MET A 66 -4.572 -14.627 1.142 1.00 0.00 C ATOM 926 C MET A 66 -4.614 -13.891 2.478 1.00 0.00 C ATOM 927 O MET A 66 -5.193 -14.378 3.448 1.00 0.00 O ATOM 928 CB MET A 66 -4.986 -16.086 1.338 1.00 0.00 C ATOM 929 CG MET A 66 -4.378 -17.033 0.316 1.00 0.00 C ATOM 930 SD MET A 66 -5.069 -16.812 -1.335 1.00 0.00 S ATOM 931 CE MET A 66 -3.687 -16.052 -2.182 1.00 0.00 C ATOM 0 H MET A 66 -3.235 -14.499 -0.469 1.00 0.00 H new ATOM 0 HA MET A 66 -5.273 -14.146 0.460 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.693 -16.407 2.338 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.072 -16.157 1.286 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.300 -16.877 0.278 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.540 -18.062 0.638 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.630 -16.435 -3.201 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.826 -14.971 -2.208 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.763 -16.287 -1.654 1.00 0.00 H new ATOM 941 N GLY A 67 -3.996 -12.714 2.520 1.00 0.00 N ATOM 942 CA GLY A 67 -3.975 -11.931 3.742 1.00 0.00 C ATOM 943 C GLY A 67 -4.300 -10.471 3.500 1.00 0.00 C ATOM 944 O GLY A 67 -3.648 -9.807 2.693 1.00 0.00 O ATOM 0 H GLY A 67 -3.510 -12.289 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.692 -12.347 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.991 -12.009 4.203 1.00 0.00 H new ATOM 948 N VAL A 68 -5.313 -9.968 4.199 1.00 0.00 N ATOM 949 CA VAL A 68 -5.724 -8.576 4.056 1.00 0.00 C ATOM 950 C VAL A 68 -4.951 -7.674 5.011 1.00 0.00 C ATOM 951 O VAL A 68 -5.053 -7.810 6.230 1.00 0.00 O ATOM 952 CB VAL A 68 -7.233 -8.407 4.315 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.681 -6.997 3.963 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.027 -9.440 3.530 1.00 0.00 C ATOM 0 H VAL A 68 -5.864 -10.504 4.870 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.505 -8.285 3.029 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.422 -8.567 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.750 -6.897 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.135 -6.278 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.480 -6.804 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.091 -9.306 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.835 -9.314 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.725 -10.441 3.837 1.00 0.00 H new ATOM 964 N HIS A 69 -4.178 -6.750 4.448 1.00 0.00 N ATOM 965 CA HIS A 69 -3.388 -5.823 5.250 1.00 0.00 C ATOM 966 C HIS A 69 -4.006 -4.428 5.234 1.00 0.00 C ATOM 967 O HIS A 69 -4.944 -4.161 4.483 1.00 0.00 O ATOM 968 CB HIS A 69 -1.951 -5.763 4.731 1.00 0.00 C ATOM 969 CG HIS A 69 -1.345 -7.111 4.488 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.962 -8.089 3.736 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.170 -7.641 4.901 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.194 -9.163 3.699 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.100 -8.917 4.397 1.00 0.00 N ATOM 0 H HIS A 69 -4.082 -6.624 3.440 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.380 -6.186 6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.932 -5.193 3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.336 -5.222 5.450 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.574 -7.152 5.513 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.422 -10.085 3.185 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.672 -9.569 4.539 1.00 0.00 H new ATOM 982 N THR A 70 -3.473 -3.540 6.069 1.00 0.00 N ATOM 983 CA THR A 70 -3.973 -2.174 6.152 1.00 0.00 C ATOM 984 C THR A 70 -2.827 -1.168 6.152 1.00 0.00 C ATOM 985 O THR A 70 -1.896 -1.273 6.950 1.00 0.00 O ATOM 986 CB THR A 70 -4.825 -1.964 7.418 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.610 -3.132 7.680 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.738 -0.757 7.261 1.00 0.00 C ATOM 0 H THR A 70 -2.695 -3.743 6.697 1.00 0.00 H new ATOM 0 HA THR A 70 -4.596 -2.011 5.272 1.00 0.00 H new ATOM 0 HB THR A 70 -4.152 -1.784 8.257 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.147 -2.991 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.330 -0.628 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.135 0.135 7.091 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.404 -0.912 6.412 1.00 0.00 H new ATOM 996 N VAL A 71 -2.902 -0.193 5.252 1.00 0.00 N ATOM 997 CA VAL A 71 -1.871 0.833 5.149 1.00 0.00 C ATOM 998 C VAL A 71 -2.206 2.037 6.022 1.00 0.00 C ATOM 999 O VAL A 71 -3.099 2.821 5.701 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.690 1.303 3.693 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.648 2.408 3.614 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.308 0.133 2.800 1.00 0.00 C ATOM 0 H VAL A 71 -3.666 -0.092 4.584 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.941 0.383 5.496 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.639 1.706 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.534 2.727 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.969 3.255 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.306 2.035 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.184 0.483 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.372 -0.302 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.094 -0.622 2.833 1.00 0.00 H new ATOM 1012 N SER A 72 -1.482 2.178 7.128 1.00 0.00 N ATOM 1013 CA SER A 72 -1.704 3.286 8.050 1.00 0.00 C ATOM 1014 C SER A 72 -0.876 4.502 7.648 1.00 0.00 C ATOM 1015 O SER A 72 0.346 4.513 7.796 1.00 0.00 O ATOM 1016 CB SER A 72 -1.352 2.866 9.479 1.00 0.00 C ATOM 1017 OG SER A 72 0.051 2.778 9.654 1.00 0.00 O ATOM 0 H SER A 72 -0.737 1.539 7.407 1.00 0.00 H new ATOM 0 HA SER A 72 -2.759 3.556 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.765 3.586 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.810 1.902 9.701 1.00 0.00 H new ATOM 0 HG SER A 72 0.478 3.576 9.279 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.551 5.527 7.137 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.880 6.750 6.713 1.00 0.00 C ATOM 1025 C VAL A 73 -1.391 7.956 7.492 1.00 0.00 C ATOM 1026 O VAL A 73 -2.447 8.508 7.181 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.076 7.005 5.207 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.295 8.234 4.767 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.660 5.783 4.402 1.00 0.00 C ATOM 0 H VAL A 73 -2.563 5.534 7.007 1.00 0.00 H new ATOM 0 HA VAL A 73 0.182 6.614 6.916 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.134 7.191 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.446 8.398 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.645 9.105 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.766 8.081 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.805 5.980 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.391 5.564 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.268 4.928 4.698 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.636 8.362 8.508 1.00 0.00 N ATOM 1040 CA LYS A 74 -1.011 9.504 9.332 1.00 0.00 C ATOM 1041 C LYS A 74 -0.146 10.718 9.006 1.00 0.00 C ATOM 1042 O LYS A 74 0.989 10.578 8.548 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.878 9.154 10.816 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.137 8.552 11.414 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.230 8.821 12.907 1.00 0.00 C ATOM 1046 CE LYS A 74 -0.987 8.337 13.638 1.00 0.00 C ATOM 1047 NZ LYS A 74 -1.132 6.930 14.107 1.00 0.00 N ATOM 0 H LYS A 74 0.240 7.916 8.780 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.050 9.751 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.054 8.452 10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.617 10.055 11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.012 8.966 10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.147 7.477 11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.361 9.889 13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.110 8.323 13.314 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.124 8.412 12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.792 8.986 14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.264 6.637 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.940 6.863 14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.293 6.307 13.290 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.688 11.906 9.246 1.00 0.00 N ATOM 1062 CA TYR A 75 0.034 13.144 8.976 1.00 0.00 C ATOM 1063 C TYR A 75 0.093 14.023 10.222 1.00 0.00 C ATOM 1064 O TYR A 75 -0.894 14.657 10.595 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.631 13.908 7.830 1.00 0.00 C ATOM 1066 CG TYR A 75 -0.193 15.352 7.731 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.079 15.683 7.281 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -1.052 16.385 8.088 1.00 0.00 C ATOM 1069 CE1 TYR A 75 1.484 17.001 7.190 1.00 0.00 C ATOM 1070 CE2 TYR A 75 -0.656 17.705 7.997 1.00 0.00 C ATOM 1071 CZ TYR A 75 0.612 18.008 7.548 1.00 0.00 C ATOM 1072 OH TYR A 75 1.010 19.322 7.459 1.00 0.00 O ATOM 0 H TYR A 75 -1.625 12.039 9.627 1.00 0.00 H new ATOM 0 HA TYR A 75 1.053 12.885 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.407 13.404 6.890 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.713 13.873 7.961 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.763 14.897 6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.045 16.152 8.442 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.477 17.241 6.841 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.336 18.496 8.276 1.00 0.00 H new ATOM 0 HH TYR A 75 0.278 19.906 7.747 1.00 0.00 H new ATOM 1082 N ARG A 76 1.257 14.055 10.862 1.00 0.00 N ATOM 1083 CA ARG A 76 1.446 14.854 12.066 1.00 0.00 C ATOM 1084 C ARG A 76 0.381 14.527 13.108 1.00 0.00 C ATOM 1085 O ARG A 76 -0.190 15.423 13.729 1.00 0.00 O ATOM 1086 CB ARG A 76 1.401 16.345 11.726 1.00 0.00 C ATOM 1087 CG ARG A 76 2.750 16.918 11.321 1.00 0.00 C ATOM 1088 CD ARG A 76 2.856 18.394 11.674 1.00 0.00 C ATOM 1089 NE ARG A 76 2.890 18.610 13.118 1.00 0.00 N ATOM 1090 CZ ARG A 76 2.915 19.814 13.680 1.00 0.00 C ATOM 1091 NH1 ARG A 76 2.910 20.903 12.924 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.945 19.929 15.002 1.00 0.00 N ATOM 0 H ARG A 76 2.084 13.536 10.566 1.00 0.00 H new ATOM 0 HA ARG A 76 2.424 14.612 12.483 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.690 16.503 10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.026 16.895 12.589 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.546 16.365 11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.895 16.788 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.757 18.811 11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.009 18.931 11.247 1.00 0.00 H new ATOM 0 HE ARG A 76 2.895 17.793 13.728 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.887 20.818 11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.929 21.826 13.359 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.949 19.093 15.587 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.964 20.853 15.433 1.00 0.00 H new ATOM 1106 N GLY A 77 0.118 13.237 13.294 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.878 12.815 14.261 1.00 0.00 C ATOM 1108 C GLY A 77 -2.294 13.073 13.785 1.00 0.00 C ATOM 1109 O GLY A 77 -3.183 13.353 14.588 1.00 0.00 O ATOM 0 H GLY A 77 0.577 12.477 12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.755 11.751 14.465 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.713 13.341 15.201 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.503 12.980 12.476 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.820 13.208 11.895 1.00 0.00 C ATOM 1115 C GLN A 78 -4.013 12.368 10.636 1.00 0.00 C ATOM 1116 O GLN A 78 -3.433 12.657 9.589 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.007 14.690 11.567 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.216 15.563 12.793 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.619 16.981 12.439 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.171 17.533 11.434 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -5.471 17.578 13.265 1.00 0.00 N ATOM 0 H GLN A 78 -1.777 12.748 11.798 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.569 12.908 12.628 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.132 15.046 11.023 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.863 14.801 10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.985 15.118 13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.297 15.586 13.379 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.817 17.082 14.087 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.779 18.532 13.078 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.831 11.326 10.746 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.101 10.444 9.616 1.00 0.00 C ATOM 1132 C HIS A 79 -5.611 11.237 8.417 1.00 0.00 C ATOM 1133 O HIS A 79 -6.525 12.052 8.542 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.123 9.376 10.008 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.543 8.264 10.827 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -5.232 7.027 10.303 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.216 8.208 12.139 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.740 6.258 11.258 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -4.720 6.951 12.382 1.00 0.00 N ATOM 0 H HIS A 79 -5.318 11.072 11.605 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.167 9.957 9.336 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.931 9.846 10.569 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.564 8.958 9.103 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.325 9.004 12.861 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.410 5.236 11.140 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.390 6.608 13.284 1.00 0.00 H new ATOM 1148 N VAL A 80 -5.014 10.994 7.254 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.407 11.685 6.033 1.00 0.00 C ATOM 1150 C VAL A 80 -6.693 11.099 5.460 1.00 0.00 C ATOM 1151 O VAL A 80 -7.263 10.160 6.017 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.301 11.610 4.964 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -3.055 12.345 5.432 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.982 10.160 4.629 1.00 0.00 C ATOM 0 H VAL A 80 -4.256 10.323 7.133 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.573 12.729 6.300 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.661 12.097 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.285 12.281 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.298 13.392 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.688 11.890 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.198 10.125 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.641 9.645 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.877 9.669 4.247 1.00 0.00 H new ATOM 1164 N THR A 81 -7.146 11.660 4.343 1.00 0.00 N ATOM 1165 CA THR A 81 -8.365 11.194 3.694 1.00 0.00 C ATOM 1166 C THR A 81 -8.177 9.801 3.105 1.00 0.00 C ATOM 1167 O THR A 81 -7.176 9.525 2.446 1.00 0.00 O ATOM 1168 CB THR A 81 -8.809 12.156 2.576 1.00 0.00 C ATOM 1169 OG1 THR A 81 -10.213 12.010 2.333 1.00 0.00 O ATOM 1170 CG2 THR A 81 -8.037 11.888 1.293 1.00 0.00 C ATOM 0 H THR A 81 -6.687 12.438 3.869 1.00 0.00 H new ATOM 0 HA THR A 81 -9.138 11.159 4.462 1.00 0.00 H new ATOM 0 HB THR A 81 -8.601 13.176 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.488 12.626 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.368 12.579 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.971 12.028 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.218 10.864 0.967 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.148 8.925 3.347 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.069 7.570 2.832 1.00 0.00 C ATOM 1180 C GLY A 82 -8.360 6.628 3.785 1.00 0.00 C ATOM 1181 O GLY A 82 -8.773 5.482 3.958 1.00 0.00 O ATOM 0 H GLY A 82 -9.987 9.129 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.076 7.198 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.545 7.578 1.876 1.00 0.00 H new ATOM 1185 N SER A 83 -7.287 7.112 4.404 1.00 0.00 N ATOM 1186 CA SER A 83 -6.515 6.303 5.339 1.00 0.00 C ATOM 1187 C SER A 83 -7.294 6.075 6.631 1.00 0.00 C ATOM 1188 O SER A 83 -8.039 6.937 7.098 1.00 0.00 O ATOM 1189 CB SER A 83 -5.179 6.981 5.650 1.00 0.00 C ATOM 1190 OG SER A 83 -4.519 6.338 6.726 1.00 0.00 O ATOM 0 H SER A 83 -6.933 8.060 4.274 1.00 0.00 H new ATOM 0 HA SER A 83 -6.325 5.336 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.543 6.961 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.348 8.029 5.897 1.00 0.00 H new ATOM 0 HG SER A 83 -3.851 6.944 7.109 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.119 4.884 7.224 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.235 3.850 6.677 1.00 0.00 C ATOM 1198 C PRO A 84 -6.783 3.240 5.392 1.00 0.00 C ATOM 1199 O PRO A 84 -7.992 3.238 5.160 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.187 2.800 7.790 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.460 2.986 8.541 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.771 4.456 8.473 1.00 0.00 C ATOM 0 HA PRO A 84 -5.258 4.250 6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.112 1.792 7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.321 2.947 8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.263 2.396 8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.355 2.657 9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.845 4.639 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.376 4.991 9.337 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.886 2.721 4.560 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.280 2.108 3.297 1.00 0.00 C ATOM 1212 C PHE A 85 -6.208 0.586 3.386 1.00 0.00 C ATOM 1213 O PHE A 85 -5.127 0.013 3.518 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.384 2.607 2.162 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.437 4.095 1.966 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.439 4.671 1.203 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.485 4.917 2.547 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.489 6.041 1.021 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.530 6.287 2.368 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.534 6.850 1.605 1.00 0.00 C ATOM 0 H PHE A 85 -4.882 2.713 4.738 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.311 2.394 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.355 2.312 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.679 2.116 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.189 4.044 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.699 4.482 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.275 6.478 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.781 6.917 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.572 7.920 1.465 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.367 -0.061 3.313 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.435 -1.515 3.386 1.00 0.00 C ATOM 1232 C GLN A 86 -7.374 -2.134 1.994 1.00 0.00 C ATOM 1233 O GLN A 86 -8.065 -1.692 1.076 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.718 -1.952 4.095 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.643 -3.351 4.683 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.990 -4.045 4.713 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.274 -4.912 3.886 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.830 -3.667 5.670 1.00 0.00 N ATOM 0 H GLN A 86 -8.271 0.399 3.203 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.575 -1.865 3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.942 -1.243 4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.547 -1.908 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.943 -3.949 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.245 -3.294 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.554 -2.944 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.751 -4.099 5.740 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.542 -3.159 1.843 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.389 -3.838 0.561 1.00 0.00 C ATOM 1249 C PHE A 87 -6.168 -5.335 0.762 1.00 0.00 C ATOM 1250 O PHE A 87 -5.483 -5.754 1.695 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.219 -3.238 -0.222 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.873 -3.635 0.314 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.311 -4.856 -0.024 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.170 -2.788 1.155 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.073 -5.224 0.468 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.931 -3.150 1.649 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.382 -4.369 1.305 1.00 0.00 C ATOM 0 H PHE A 87 -5.963 -3.538 2.592 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.308 -3.697 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.292 -3.549 -1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.301 -2.151 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.846 -5.527 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.595 -1.833 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.646 -6.179 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.393 -2.480 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.414 -4.654 1.690 1.00 0.00 H new ATOM 1267 N THR A 88 -6.753 -6.137 -0.122 1.00 0.00 N ATOM 1268 CA THR A 88 -6.622 -7.586 -0.042 1.00 0.00 C ATOM 1269 C THR A 88 -5.663 -8.111 -1.105 1.00 0.00 C ATOM 1270 O THR A 88 -5.671 -7.648 -2.245 1.00 0.00 O ATOM 1271 CB THR A 88 -7.986 -8.283 -0.209 1.00 0.00 C ATOM 1272 OG1 THR A 88 -8.855 -7.924 0.871 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.819 -9.795 -0.251 1.00 0.00 C ATOM 0 H THR A 88 -7.322 -5.807 -0.902 1.00 0.00 H new ATOM 0 HA THR A 88 -6.224 -7.813 0.947 1.00 0.00 H new ATOM 0 HB THR A 88 -8.424 -7.955 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.720 -8.370 0.757 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.795 -10.266 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.180 -10.067 -1.091 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.362 -10.136 0.678 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.838 -9.081 -0.724 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.874 -9.670 -1.645 1.00 0.00 C ATOM 1283 C VAL A 89 -4.427 -10.940 -2.282 1.00 0.00 C ATOM 1284 O VAL A 89 -5.099 -11.734 -1.626 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.548 -10.002 -0.933 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.518 -10.507 -1.932 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.026 -8.784 -0.185 1.00 0.00 C ATOM 0 H VAL A 89 -4.818 -9.475 0.216 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.686 -8.929 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.733 -10.794 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.588 -10.736 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.893 -11.408 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.333 -9.739 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.089 -9.036 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.855 -7.970 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.759 -8.472 0.559 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.140 -11.124 -3.567 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.616 -12.299 -4.272 1.00 0.00 C ATOM 1299 C GLY A 90 -3.491 -13.235 -4.667 1.00 0.00 C ATOM 1300 O GLY A 90 -2.413 -13.229 -4.072 1.00 0.00 O ATOM 0 H GLY A 90 -3.586 -10.480 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.325 -12.835 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.156 -11.988 -5.166 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.736 -14.063 -5.693 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.747 -15.025 -6.188 1.00 0.00 C ATOM 1306 C PRO A 91 -1.578 -14.344 -6.891 1.00 0.00 C ATOM 1307 O PRO A 91 -1.755 -13.342 -7.586 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.545 -15.875 -7.180 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.656 -14.990 -7.629 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.999 -14.124 -6.449 1.00 0.00 C ATOM 0 HA PRO A 91 -2.297 -15.600 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.925 -16.190 -8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.926 -16.781 -6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.351 -14.384 -8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.518 -15.577 -7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.329 -13.133 -6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.803 -14.556 -5.854 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.382 -14.892 -6.706 1.00 0.00 N ATOM 1319 CA LEU A 92 0.818 -14.337 -7.323 1.00 0.00 C ATOM 1320 C LEU A 92 0.658 -14.244 -8.837 1.00 0.00 C ATOM 1321 O LEU A 92 1.349 -13.469 -9.498 1.00 0.00 O ATOM 1322 CB LEU A 92 2.036 -15.197 -6.979 1.00 0.00 C ATOM 1323 CG LEU A 92 2.233 -16.452 -7.829 1.00 0.00 C ATOM 1324 CD1 LEU A 92 2.880 -16.100 -9.160 1.00 0.00 C ATOM 1325 CD2 LEU A 92 3.073 -17.477 -7.080 1.00 0.00 C ATOM 0 H LEU A 92 -0.217 -15.720 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 92 0.968 -13.332 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.929 -14.579 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.960 -15.498 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 92 1.255 -16.889 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.012 -17.006 -9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.241 -15.403 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.851 -15.638 -8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.203 -18.364 -7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.049 -17.049 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.570 -17.753 -6.153 1.00 0.00 H new