USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 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= -2.62! C(o=-2.8!,f=-2.7!) USER MOD Set 1.2: A 83 SER OG : rot -153:sc= -0.153 USER MOD Set 2.1: A 70 THR OG1 : rot -99:sc= 0.187 USER MOD Set 2.2: A 86 GLN : amide:sc= 0.18 X(o=0.37,f=0.57) USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 69 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-6.1!) USER MOD Set 4.1: A 33 MET CE :methyl -108:sc= -0.39 (180deg=-0.365) USER MOD Set 4.2: A 57 HIS : no HD1:sc= -0.259 K(o=-0.65,f=-1.8) USER MOD Set 5.1: A 52 MET CE :methyl 173:sc= 0 (180deg=-0.00806) USER MOD Set 5.2: A 58 CYS SG : rot -170:sc= -0.78 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 -137:sc= 0.0169 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= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : 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= -0.448 K(o=-0.45,f=-1.3) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.036) USER MOD Single : A 66 MET CE :methyl 180:sc= -0.27 (180deg=-0.27) USER MOD Single : A 72 SER OG : rot -160:sc= -1.15 USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -2.33 (180deg=-2.9) 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) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.753 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.614 -5.934 -5.351 1.00 0.00 N ATOM 142 CA ALA A 13 -2.242 -6.239 -4.965 1.00 0.00 C ATOM 143 C ALA A 13 -1.918 -7.709 -5.206 1.00 0.00 C ATOM 144 O ALA A 13 -2.810 -8.558 -5.226 1.00 0.00 O ATOM 145 CB ALA A 13 -2.012 -5.878 -3.505 1.00 0.00 C ATOM 0 HA ALA A 13 -1.575 -5.641 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.983 -6.111 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.194 -4.813 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.694 -6.451 -2.877 1.00 0.00 H new ATOM 151 N THR A 14 -0.635 -8.006 -5.389 1.00 0.00 N ATOM 152 CA THR A 14 -0.193 -9.373 -5.631 1.00 0.00 C ATOM 153 C THR A 14 0.687 -9.876 -4.493 1.00 0.00 C ATOM 154 O THR A 14 1.400 -9.099 -3.856 1.00 0.00 O ATOM 155 CB THR A 14 0.585 -9.487 -6.955 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.110 -8.786 -7.993 1.00 0.00 O ATOM 157 CG2 THR A 14 0.767 -10.944 -7.353 1.00 0.00 C ATOM 0 H THR A 14 0.117 -7.317 -5.374 1.00 0.00 H new ATOM 0 HA THR A 14 -1.091 -9.988 -5.692 1.00 0.00 H new ATOM 0 HB THR A 14 1.569 -9.041 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.392 -8.862 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.319 -10.999 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.322 -11.467 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.210 -11.411 -7.479 1.00 0.00 H new ATOM 165 N VAL A 15 0.634 -11.180 -4.241 1.00 0.00 N ATOM 166 CA VAL A 15 1.429 -11.787 -3.180 1.00 0.00 C ATOM 167 C VAL A 15 2.883 -11.953 -3.608 1.00 0.00 C ATOM 168 O VAL A 15 3.166 -12.382 -4.726 1.00 0.00 O ATOM 169 CB VAL A 15 0.865 -13.161 -2.772 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.681 -14.047 -3.995 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.776 -13.829 -1.753 1.00 0.00 C ATOM 0 H VAL A 15 0.049 -11.837 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 15 1.380 -11.114 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.111 -13.011 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.282 -15.013 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.013 -13.571 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.643 -14.192 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.362 -14.799 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.767 -13.967 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.852 -13.200 -0.866 1.00 0.00 H new ATOM 181 N GLY A 16 3.802 -11.610 -2.711 1.00 0.00 N ATOM 182 CA GLY A 16 5.216 -11.728 -3.014 1.00 0.00 C ATOM 183 C GLY A 16 5.732 -10.563 -3.835 1.00 0.00 C ATOM 184 O GLY A 16 6.823 -10.052 -3.582 1.00 0.00 O ATOM 0 H GLY A 16 3.592 -11.252 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.780 -11.791 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.392 -12.657 -3.556 1.00 0.00 H new ATOM 188 N SER A 17 4.948 -10.143 -4.823 1.00 0.00 N ATOM 189 CA SER A 17 5.335 -9.035 -5.687 1.00 0.00 C ATOM 190 C SER A 17 5.223 -7.705 -4.948 1.00 0.00 C ATOM 191 O SER A 17 4.378 -7.541 -4.068 1.00 0.00 O ATOM 192 CB SER A 17 4.459 -9.009 -6.942 1.00 0.00 C ATOM 193 OG SER A 17 5.163 -8.463 -8.044 1.00 0.00 O ATOM 0 H SER A 17 4.041 -10.554 -5.045 1.00 0.00 H new ATOM 0 HA SER A 17 6.374 -9.182 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.131 -10.021 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.562 -8.420 -6.751 1.00 0.00 H new ATOM 0 HG SER A 17 4.582 -8.459 -8.834 1.00 0.00 H new ATOM 199 N ILE A 18 6.081 -6.758 -5.313 1.00 0.00 N ATOM 200 CA ILE A 18 6.079 -5.443 -4.686 1.00 0.00 C ATOM 201 C ILE A 18 4.754 -4.725 -4.918 1.00 0.00 C ATOM 202 O ILE A 18 4.252 -4.675 -6.042 1.00 0.00 O ATOM 203 CB ILE A 18 7.226 -4.563 -5.218 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.573 -5.256 -4.998 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.208 -3.201 -4.539 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.038 -5.229 -3.559 1.00 0.00 C ATOM 0 H ILE A 18 6.786 -6.878 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 18 6.221 -5.604 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 18 7.085 -4.415 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.498 -6.292 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.326 -4.776 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.024 -2.591 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.258 -2.706 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.329 -3.329 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.998 -5.738 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.146 -4.195 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.305 -5.734 -2.930 1.00 0.00 H new ATOM 218 N CYS A 19 4.192 -4.170 -3.850 1.00 0.00 N ATOM 219 CA CYS A 19 2.925 -3.453 -3.938 1.00 0.00 C ATOM 220 C CYS A 19 3.153 -1.946 -3.964 1.00 0.00 C ATOM 221 O CYS A 19 3.440 -1.333 -2.936 1.00 0.00 O ATOM 222 CB CYS A 19 2.023 -3.824 -2.760 1.00 0.00 C ATOM 223 SG CYS A 19 0.326 -3.219 -2.910 1.00 0.00 S ATOM 0 H CYS A 19 4.594 -4.203 -2.913 1.00 0.00 H new ATOM 0 HA CYS A 19 2.435 -3.744 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.003 -4.909 -2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.459 -3.427 -1.843 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.068 -2.743 -1.766 1.00 0.00 H new ATOM 229 N ASP A 20 3.026 -1.354 -5.147 1.00 0.00 N ATOM 230 CA ASP A 20 3.219 0.083 -5.308 1.00 0.00 C ATOM 231 C ASP A 20 1.925 0.840 -5.025 1.00 0.00 C ATOM 232 O ASP A 20 0.921 0.654 -5.713 1.00 0.00 O ATOM 233 CB ASP A 20 3.710 0.397 -6.722 1.00 0.00 C ATOM 234 CG ASP A 20 4.913 -0.435 -7.116 1.00 0.00 C ATOM 235 OD1 ASP A 20 6.037 -0.091 -6.694 1.00 0.00 O ATOM 236 OD2 ASP A 20 4.732 -1.432 -7.846 1.00 0.00 O ATOM 0 H ASP A 20 2.790 -1.847 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 20 3.972 0.407 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.902 0.220 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.966 1.454 -6.788 1.00 0.00 H new ATOM 241 N LEU A 21 1.956 1.693 -4.007 1.00 0.00 N ATOM 242 CA LEU A 21 0.786 2.478 -3.631 1.00 0.00 C ATOM 243 C LEU A 21 0.828 3.860 -4.275 1.00 0.00 C ATOM 244 O LEU A 21 1.750 4.639 -4.038 1.00 0.00 O ATOM 245 CB LEU A 21 0.706 2.615 -2.109 1.00 0.00 C ATOM 246 CG LEU A 21 -0.688 2.855 -1.529 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.563 1.625 -1.714 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.596 3.230 -0.057 1.00 0.00 C ATOM 0 H LEU A 21 2.779 1.858 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.101 1.956 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.113 1.709 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.351 3.439 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.146 3.685 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.551 1.815 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.656 1.401 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.109 0.776 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.598 3.397 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.118 2.421 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.007 4.141 0.050 1.00 0.00 H new ATOM 260 N ASN A 22 -0.180 4.159 -5.089 1.00 0.00 N ATOM 261 CA ASN A 22 -0.259 5.448 -5.767 1.00 0.00 C ATOM 262 C ASN A 22 -0.835 6.514 -4.840 1.00 0.00 C ATOM 263 O ASN A 22 -2.041 6.550 -4.591 1.00 0.00 O ATOM 264 CB ASN A 22 -1.118 5.333 -7.027 1.00 0.00 C ATOM 265 CG ASN A 22 -0.428 4.551 -8.128 1.00 0.00 C ATOM 266 OD1 ASN A 22 0.395 5.093 -8.867 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.761 3.271 -8.244 1.00 0.00 N ATOM 0 H ASN A 22 -0.953 3.526 -5.295 1.00 0.00 H new ATOM 0 HA ASN A 22 0.751 5.745 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.062 4.848 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.360 6.332 -7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.330 2.695 -8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.448 2.863 -7.610 1.00 0.00 H new ATOM 274 N LEU A 23 0.034 7.382 -4.334 1.00 0.00 N ATOM 275 CA LEU A 23 -0.388 8.451 -3.435 1.00 0.00 C ATOM 276 C LEU A 23 0.219 9.786 -3.855 1.00 0.00 C ATOM 277 O LEU A 23 1.372 9.850 -4.283 1.00 0.00 O ATOM 278 CB LEU A 23 0.017 8.124 -1.996 1.00 0.00 C ATOM 279 CG LEU A 23 -0.929 7.201 -1.227 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.340 6.844 0.129 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.294 7.854 -1.062 1.00 0.00 C ATOM 0 H LEU A 23 1.035 7.367 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.474 8.532 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.006 7.666 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.109 9.059 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.055 6.282 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.027 6.187 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.614 6.336 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.184 7.754 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.954 7.183 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.186 8.788 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.720 8.059 -2.044 1.00 0.00 H new ATOM 293 N LYS A 24 -0.564 10.852 -3.727 1.00 0.00 N ATOM 294 CA LYS A 24 -0.104 12.187 -4.090 1.00 0.00 C ATOM 295 C LYS A 24 -0.728 13.242 -3.181 1.00 0.00 C ATOM 296 O LYS A 24 -1.945 13.429 -3.176 1.00 0.00 O ATOM 297 CB LYS A 24 -0.448 12.489 -5.550 1.00 0.00 C ATOM 298 CG LYS A 24 -1.930 12.374 -5.862 1.00 0.00 C ATOM 299 CD LYS A 24 -2.190 12.417 -7.359 1.00 0.00 C ATOM 300 CE LYS A 24 -3.679 12.487 -7.664 1.00 0.00 C ATOM 301 NZ LYS A 24 -4.372 11.209 -7.343 1.00 0.00 N ATOM 0 H LYS A 24 -1.520 10.817 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 24 0.978 12.218 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.111 13.497 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.104 11.805 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.318 11.442 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.469 13.186 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.688 13.282 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.762 11.532 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.129 13.298 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.823 12.723 -8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.384 11.298 -7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.960 10.439 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.257 10.996 -6.332 1.00 0.00 H new ATOM 315 N ILE A 25 0.114 13.930 -2.416 1.00 0.00 N ATOM 316 CA ILE A 25 -0.355 14.967 -1.507 1.00 0.00 C ATOM 317 C ILE A 25 0.709 16.040 -1.300 1.00 0.00 C ATOM 318 O ILE A 25 1.703 15.837 -0.603 1.00 0.00 O ATOM 319 CB ILE A 25 -0.749 14.381 -0.138 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.403 13.009 -0.316 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.685 15.329 0.595 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.818 12.364 0.988 1.00 0.00 C ATOM 0 H ILE A 25 1.124 13.787 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.235 15.415 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 25 0.153 14.258 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.279 13.113 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.708 12.348 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.954 14.900 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.186 16.286 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.587 15.481 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.274 11.395 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.942 12.227 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.538 13.004 1.498 1.00 0.00 H new ATOM 334 N PRO A 26 0.497 17.211 -1.920 1.00 0.00 N ATOM 335 CA PRO A 26 1.426 18.340 -1.817 1.00 0.00 C ATOM 336 C PRO A 26 1.428 18.964 -0.426 1.00 0.00 C ATOM 337 O PRO A 26 2.481 19.320 0.102 1.00 0.00 O ATOM 338 CB PRO A 26 0.890 19.335 -2.849 1.00 0.00 C ATOM 339 CG PRO A 26 -0.558 19.008 -2.974 1.00 0.00 C ATOM 340 CD PRO A 26 -0.666 17.522 -2.767 1.00 0.00 C ATOM 0 HA PRO A 26 2.458 18.036 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.037 20.364 -2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.404 19.230 -3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.146 19.549 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.940 19.294 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.602 17.251 -2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.631 16.981 -3.713 1.00 0.00 H new ATOM 348 N GLU A 27 0.243 19.093 0.162 1.00 0.00 N ATOM 349 CA GLU A 27 0.110 19.675 1.492 1.00 0.00 C ATOM 350 C GLU A 27 1.099 19.040 2.465 1.00 0.00 C ATOM 351 O GLU A 27 1.516 19.666 3.440 1.00 0.00 O ATOM 352 CB GLU A 27 -1.319 19.497 2.011 1.00 0.00 C ATOM 353 CG GLU A 27 -2.250 20.636 1.632 1.00 0.00 C ATOM 354 CD GLU A 27 -3.592 20.550 2.334 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.630 20.059 3.481 1.00 0.00 O ATOM 356 OE2 GLU A 27 -4.603 20.974 1.736 1.00 0.00 O ATOM 0 H GLU A 27 -0.638 18.802 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 27 0.332 20.740 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.724 18.563 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.294 19.406 3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.775 21.586 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.407 20.629 0.553 1.00 0.00 H new ATOM 363 N ILE A 28 1.469 17.793 2.193 1.00 0.00 N ATOM 364 CA ILE A 28 2.409 17.073 3.044 1.00 0.00 C ATOM 365 C ILE A 28 3.609 16.580 2.243 1.00 0.00 C ATOM 366 O ILE A 28 3.482 16.222 1.073 1.00 0.00 O ATOM 367 CB ILE A 28 1.738 15.871 3.733 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.486 16.323 4.489 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.715 15.188 4.678 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.448 15.187 4.844 1.00 0.00 C ATOM 0 H ILE A 28 1.133 17.261 1.391 1.00 0.00 H new ATOM 0 HA ILE A 28 2.747 17.776 3.806 1.00 0.00 H new ATOM 0 HB ILE A 28 1.440 15.153 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.788 16.834 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.053 17.050 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.225 14.340 5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.580 14.837 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.041 15.897 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.313 15.580 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.779 14.690 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.075 14.471 5.478 1.00 0.00 H new ATOM 382 N ASN A 29 4.774 16.564 2.882 1.00 0.00 N ATOM 383 CA ASN A 29 5.998 16.113 2.229 1.00 0.00 C ATOM 384 C ASN A 29 6.370 14.705 2.684 1.00 0.00 C ATOM 385 O ASN A 29 6.082 14.310 3.813 1.00 0.00 O ATOM 386 CB ASN A 29 7.146 17.079 2.529 1.00 0.00 C ATOM 387 CG ASN A 29 7.243 18.197 1.510 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.425 18.290 0.595 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.247 19.053 1.664 1.00 0.00 N ATOM 0 H ASN A 29 4.897 16.858 3.851 1.00 0.00 H new ATOM 0 HA ASN A 29 5.821 16.093 1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.007 17.507 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.086 16.527 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.363 19.826 1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.902 18.937 2.438 1.00 0.00 H new ATOM 396 N SER A 30 7.014 13.953 1.796 1.00 0.00 N ATOM 397 CA SER A 30 7.423 12.588 2.105 1.00 0.00 C ATOM 398 C SER A 30 8.409 12.567 3.269 1.00 0.00 C ATOM 399 O SER A 30 8.605 11.535 3.912 1.00 0.00 O ATOM 400 CB SER A 30 8.054 11.932 0.875 1.00 0.00 C ATOM 401 OG SER A 30 9.368 12.416 0.657 1.00 0.00 O ATOM 0 H SER A 30 7.263 14.266 0.858 1.00 0.00 H new ATOM 0 HA SER A 30 6.535 12.025 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.079 10.850 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.439 12.131 -0.003 1.00 0.00 H new ATOM 0 HG SER A 30 9.750 11.980 -0.133 1.00 0.00 H new ATOM 407 N SER A 31 9.028 13.713 3.534 1.00 0.00 N ATOM 408 CA SER A 31 9.996 13.826 4.617 1.00 0.00 C ATOM 409 C SER A 31 9.296 13.842 5.973 1.00 0.00 C ATOM 410 O SER A 31 9.899 13.529 6.999 1.00 0.00 O ATOM 411 CB SER A 31 10.835 15.095 4.449 1.00 0.00 C ATOM 412 OG SER A 31 11.795 15.212 5.485 1.00 0.00 O ATOM 0 H SER A 31 8.876 14.576 3.013 1.00 0.00 H new ATOM 0 HA SER A 31 10.652 12.956 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.339 15.077 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.183 15.969 4.452 1.00 0.00 H new ATOM 0 HG SER A 31 12.319 16.030 5.354 1.00 0.00 H new ATOM 418 N ASP A 32 8.019 14.209 5.967 1.00 0.00 N ATOM 419 CA ASP A 32 7.235 14.265 7.195 1.00 0.00 C ATOM 420 C ASP A 32 6.085 13.263 7.152 1.00 0.00 C ATOM 421 O ASP A 32 5.151 13.340 7.950 1.00 0.00 O ATOM 422 CB ASP A 32 6.689 15.677 7.413 1.00 0.00 C ATOM 423 CG ASP A 32 7.730 16.616 7.992 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.866 16.660 9.232 1.00 0.00 O ATOM 425 OD2 ASP A 32 8.408 17.307 7.203 1.00 0.00 O ATOM 0 H ASP A 32 7.505 14.472 5.126 1.00 0.00 H new ATOM 0 HA ASP A 32 7.890 14.004 8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.331 16.076 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.831 15.632 8.083 1.00 0.00 H new ATOM 430 N MET A 33 6.159 12.325 6.213 1.00 0.00 N ATOM 431 CA MET A 33 5.124 11.309 6.066 1.00 0.00 C ATOM 432 C MET A 33 5.555 9.996 6.712 1.00 0.00 C ATOM 433 O MET A 33 6.736 9.789 6.989 1.00 0.00 O ATOM 434 CB MET A 33 4.808 11.083 4.586 1.00 0.00 C ATOM 435 CG MET A 33 3.867 12.122 4.000 1.00 0.00 C ATOM 436 SD MET A 33 3.755 12.024 2.203 1.00 0.00 S ATOM 437 CE MET A 33 3.188 10.338 1.991 1.00 0.00 C ATOM 0 H MET A 33 6.924 12.248 5.543 1.00 0.00 H new ATOM 0 HA MET A 33 4.226 11.665 6.572 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.739 11.087 4.019 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.366 10.094 4.464 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.874 11.990 4.430 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.208 13.117 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.999 9.729 1.592 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.872 9.936 2.954 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.347 10.321 1.298 1.00 0.00 H new ATOM 447 N SER A 34 4.590 9.113 6.949 1.00 0.00 N ATOM 448 CA SER A 34 4.870 7.822 7.567 1.00 0.00 C ATOM 449 C SER A 34 3.819 6.791 7.170 1.00 0.00 C ATOM 450 O SER A 34 2.628 7.095 7.105 1.00 0.00 O ATOM 451 CB SER A 34 4.916 7.961 9.090 1.00 0.00 C ATOM 452 OG SER A 34 3.736 8.573 9.582 1.00 0.00 O ATOM 0 H SER A 34 3.608 9.268 6.722 1.00 0.00 H new ATOM 0 HA SER A 34 5.842 7.480 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.036 6.978 9.545 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.784 8.554 9.378 1.00 0.00 H new ATOM 0 HG SER A 34 3.789 8.649 10.558 1.00 0.00 H new ATOM 458 N ALA A 35 4.268 5.568 6.906 1.00 0.00 N ATOM 459 CA ALA A 35 3.367 4.490 6.518 1.00 0.00 C ATOM 460 C ALA A 35 3.786 3.169 7.153 1.00 0.00 C ATOM 461 O ALA A 35 4.955 2.785 7.097 1.00 0.00 O ATOM 462 CB ALA A 35 3.323 4.360 5.002 1.00 0.00 C ATOM 0 H ALA A 35 5.251 5.299 6.954 1.00 0.00 H new ATOM 0 HA ALA A 35 2.369 4.735 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.646 3.551 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.968 5.294 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.323 4.141 4.626 1.00 0.00 H new ATOM 468 N HIS A 36 2.826 2.477 7.757 1.00 0.00 N ATOM 469 CA HIS A 36 3.096 1.197 8.403 1.00 0.00 C ATOM 470 C HIS A 36 2.123 0.127 7.917 1.00 0.00 C ATOM 471 O HIS A 36 0.906 0.304 7.984 1.00 0.00 O ATOM 472 CB HIS A 36 3.000 1.339 9.922 1.00 0.00 C ATOM 473 CG HIS A 36 3.905 2.391 10.484 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.504 3.693 10.697 1.00 0.00 N ATOM 475 CD2 HIS A 36 5.198 2.328 10.879 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.512 4.386 11.197 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.552 3.581 11.318 1.00 0.00 N ATOM 0 H HIS A 36 1.854 2.781 7.813 1.00 0.00 H new ATOM 0 HA HIS A 36 4.108 0.890 8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.971 1.575 10.192 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.239 0.381 10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.833 1.455 10.854 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.489 5.433 11.462 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.469 3.846 11.679 1.00 0.00 H new ATOM 486 N VAL A 37 2.666 -0.983 7.428 1.00 0.00 N ATOM 487 CA VAL A 37 1.846 -2.081 6.931 1.00 0.00 C ATOM 488 C VAL A 37 1.458 -3.030 8.059 1.00 0.00 C ATOM 489 O VAL A 37 2.296 -3.763 8.586 1.00 0.00 O ATOM 490 CB VAL A 37 2.579 -2.877 5.834 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.740 -4.064 5.386 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.914 -1.975 4.656 1.00 0.00 C ATOM 0 H VAL A 37 3.671 -1.146 7.365 1.00 0.00 H new ATOM 0 HA VAL A 37 0.945 -1.637 6.507 1.00 0.00 H new ATOM 0 HB VAL A 37 3.513 -3.258 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.273 -4.615 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.556 -4.721 6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.789 -3.708 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.431 -2.553 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.994 -1.563 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.557 -1.161 4.992 1.00 0.00 H new ATOM 502 N THR A 38 0.180 -3.014 8.426 1.00 0.00 N ATOM 503 CA THR A 38 -0.320 -3.872 9.492 1.00 0.00 C ATOM 504 C THR A 38 -0.980 -5.124 8.926 1.00 0.00 C ATOM 505 O THR A 38 -1.745 -5.053 7.964 1.00 0.00 O ATOM 506 CB THR A 38 -1.334 -3.129 10.383 1.00 0.00 C ATOM 507 OG1 THR A 38 -0.849 -1.817 10.687 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.583 -3.895 11.674 1.00 0.00 C ATOM 0 H THR A 38 -0.528 -2.415 8.000 1.00 0.00 H new ATOM 0 HA THR A 38 0.541 -4.159 10.096 1.00 0.00 H new ATOM 0 HB THR A 38 -2.275 -3.051 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.500 -1.350 11.252 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.302 -3.351 12.287 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.979 -4.883 11.440 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.646 -4.000 12.221 1.00 0.00 H new ATOM 516 N SER A 39 -0.680 -6.270 9.529 1.00 0.00 N ATOM 517 CA SER A 39 -1.243 -7.539 9.082 1.00 0.00 C ATOM 518 C SER A 39 -2.468 -7.912 9.911 1.00 0.00 C ATOM 519 O SER A 39 -2.643 -7.462 11.043 1.00 0.00 O ATOM 520 CB SER A 39 -0.192 -8.648 9.175 1.00 0.00 C ATOM 521 OG SER A 39 0.654 -8.645 8.039 1.00 0.00 O ATOM 0 H SER A 39 -0.051 -6.346 10.328 1.00 0.00 H new ATOM 0 HA SER A 39 -1.551 -7.426 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.405 -8.513 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.686 -9.616 9.262 1.00 0.00 H new ATOM 0 HG SER A 39 1.317 -9.361 8.123 1.00 0.00 H new ATOM 527 N PRO A 40 -3.337 -8.756 9.335 1.00 0.00 N ATOM 528 CA PRO A 40 -4.561 -9.210 10.002 1.00 0.00 C ATOM 529 C PRO A 40 -4.271 -10.149 11.168 1.00 0.00 C ATOM 530 O PRO A 40 -5.182 -10.562 11.885 1.00 0.00 O ATOM 531 CB PRO A 40 -5.315 -9.949 8.894 1.00 0.00 C ATOM 532 CG PRO A 40 -4.256 -10.393 7.945 1.00 0.00 C ATOM 533 CD PRO A 40 -3.191 -9.333 7.987 1.00 0.00 C ATOM 0 HA PRO A 40 -5.120 -8.382 10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.871 -10.798 9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.037 -9.296 8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.853 -11.363 8.236 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.657 -10.504 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.198 -9.755 7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.340 -8.583 7.210 1.00 0.00 H new ATOM 541 N SER A 41 -2.998 -10.483 11.351 1.00 0.00 N ATOM 542 CA SER A 41 -2.589 -11.377 12.428 1.00 0.00 C ATOM 543 C SER A 41 -2.101 -10.583 13.636 1.00 0.00 C ATOM 544 O SER A 41 -1.980 -11.119 14.737 1.00 0.00 O ATOM 545 CB SER A 41 -1.487 -12.322 11.945 1.00 0.00 C ATOM 546 OG SER A 41 -0.272 -11.624 11.736 1.00 0.00 O ATOM 0 H SER A 41 -2.232 -10.148 10.767 1.00 0.00 H new ATOM 0 HA SER A 41 -3.456 -11.966 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.334 -13.113 12.679 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.797 -12.804 11.018 1.00 0.00 H new ATOM 0 HG SER A 41 0.417 -12.250 11.429 1.00 0.00 H new ATOM 552 N GLY A 42 -1.820 -9.302 13.421 1.00 0.00 N ATOM 553 CA GLY A 42 -1.347 -8.454 14.500 1.00 0.00 C ATOM 554 C GLY A 42 0.106 -8.056 14.331 1.00 0.00 C ATOM 555 O GLY A 42 0.738 -7.575 15.271 1.00 0.00 O ATOM 0 H GLY A 42 -1.911 -8.836 12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.963 -7.556 14.549 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.469 -8.976 15.449 1.00 0.00 H new ATOM 559 N ARG A 43 0.637 -8.259 13.130 1.00 0.00 N ATOM 560 CA ARG A 43 2.026 -7.921 12.842 1.00 0.00 C ATOM 561 C ARG A 43 2.110 -6.702 11.928 1.00 0.00 C ATOM 562 O ARG A 43 1.622 -6.724 10.798 1.00 0.00 O ATOM 563 CB ARG A 43 2.738 -9.109 12.192 1.00 0.00 C ATOM 564 CG ARG A 43 4.216 -8.865 11.932 1.00 0.00 C ATOM 565 CD ARG A 43 4.815 -9.956 11.059 1.00 0.00 C ATOM 566 NE ARG A 43 4.825 -11.252 11.732 1.00 0.00 N ATOM 567 CZ ARG A 43 5.402 -12.337 11.229 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.014 -12.282 10.055 1.00 0.00 N ATOM 569 NH2 ARG A 43 5.368 -13.481 11.902 1.00 0.00 N ATOM 0 H ARG A 43 0.127 -8.656 12.341 1.00 0.00 H new ATOM 0 HA ARG A 43 2.519 -7.682 13.784 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.630 -9.983 12.835 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.246 -9.345 11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.347 -7.897 11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.751 -8.822 12.881 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.245 -10.033 10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.834 -9.682 10.785 1.00 0.00 H new ATOM 0 HE ARG A 43 4.363 -11.328 12.638 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.043 -11.405 9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.456 -13.117 9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.898 -13.527 12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.812 -14.314 11.515 1.00 0.00 H new ATOM 583 N VAL A 44 2.733 -5.638 12.425 1.00 0.00 N ATOM 584 CA VAL A 44 2.882 -4.409 11.654 1.00 0.00 C ATOM 585 C VAL A 44 4.352 -4.089 11.409 1.00 0.00 C ATOM 586 O VAL A 44 5.203 -4.324 12.268 1.00 0.00 O ATOM 587 CB VAL A 44 2.220 -3.215 12.367 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.601 -3.194 13.839 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.607 -1.909 11.688 1.00 0.00 C ATOM 0 H VAL A 44 3.143 -5.602 13.358 1.00 0.00 H new ATOM 0 HA VAL A 44 2.384 -4.573 10.698 1.00 0.00 H new ATOM 0 HB VAL A 44 1.138 -3.327 12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.124 -2.344 14.326 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.269 -4.117 14.314 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.683 -3.106 13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.131 -1.075 12.204 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.690 -1.787 11.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.278 -1.928 10.649 1.00 0.00 H new ATOM 599 N THR A 45 4.647 -3.552 10.229 1.00 0.00 N ATOM 600 CA THR A 45 6.015 -3.200 9.870 1.00 0.00 C ATOM 601 C THR A 45 6.100 -1.760 9.374 1.00 0.00 C ATOM 602 O THR A 45 5.103 -1.039 9.363 1.00 0.00 O ATOM 603 CB THR A 45 6.569 -4.139 8.781 1.00 0.00 C ATOM 604 OG1 THR A 45 5.590 -4.329 7.754 1.00 0.00 O ATOM 605 CG2 THR A 45 6.957 -5.484 9.374 1.00 0.00 C ATOM 0 H THR A 45 3.956 -3.351 9.506 1.00 0.00 H new ATOM 0 HA THR A 45 6.616 -3.307 10.773 1.00 0.00 H new ATOM 0 HB THR A 45 7.459 -3.678 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.950 -4.925 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.345 -6.130 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.723 -5.339 10.135 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.081 -5.949 9.826 1.00 0.00 H new ATOM 613 N GLU A 46 7.296 -1.350 8.966 1.00 0.00 N ATOM 614 CA GLU A 46 7.510 0.005 8.470 1.00 0.00 C ATOM 615 C GLU A 46 7.620 0.015 6.948 1.00 0.00 C ATOM 616 O GLU A 46 8.384 -0.753 6.365 1.00 0.00 O ATOM 617 CB GLU A 46 8.775 0.604 9.088 1.00 0.00 C ATOM 618 CG GLU A 46 9.093 2.003 8.588 1.00 0.00 C ATOM 619 CD GLU A 46 10.231 2.652 9.351 1.00 0.00 C ATOM 620 OE1 GLU A 46 11.298 2.016 9.479 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.054 3.795 9.821 1.00 0.00 O ATOM 0 H GLU A 46 8.131 -1.935 8.969 1.00 0.00 H new ATOM 0 HA GLU A 46 6.651 0.611 8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.662 0.632 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.620 -0.050 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.350 1.957 7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.202 2.626 8.672 1.00 0.00 H new ATOM 628 N ALA A 47 6.850 0.892 6.311 1.00 0.00 N ATOM 629 CA ALA A 47 6.861 1.005 4.858 1.00 0.00 C ATOM 630 C ALA A 47 7.864 2.057 4.397 1.00 0.00 C ATOM 631 O ALA A 47 8.272 2.920 5.173 1.00 0.00 O ATOM 632 CB ALA A 47 5.469 1.339 4.344 1.00 0.00 C ATOM 0 H ALA A 47 6.211 1.534 6.779 1.00 0.00 H new ATOM 0 HA ALA A 47 7.167 0.044 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.492 1.420 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.775 0.550 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.141 2.286 4.772 1.00 0.00 H new ATOM 638 N GLU A 48 8.258 1.977 3.129 1.00 0.00 N ATOM 639 CA GLU A 48 9.214 2.923 2.566 1.00 0.00 C ATOM 640 C GLU A 48 8.552 3.804 1.511 1.00 0.00 C ATOM 641 O GLU A 48 7.759 3.328 0.699 1.00 0.00 O ATOM 642 CB GLU A 48 10.401 2.177 1.952 1.00 0.00 C ATOM 643 CG GLU A 48 11.408 3.090 1.273 1.00 0.00 C ATOM 644 CD GLU A 48 12.473 3.595 2.226 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.176 3.727 3.432 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.604 3.857 1.766 1.00 0.00 O ATOM 0 H GLU A 48 7.930 1.268 2.474 1.00 0.00 H new ATOM 0 HA GLU A 48 9.573 3.561 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.907 1.610 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.029 1.456 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.885 2.553 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.885 3.940 0.835 1.00 0.00 H new ATOM 653 N ILE A 49 8.883 5.091 1.531 1.00 0.00 N ATOM 654 CA ILE A 49 8.321 6.039 0.577 1.00 0.00 C ATOM 655 C ILE A 49 9.376 6.504 -0.422 1.00 0.00 C ATOM 656 O ILE A 49 10.145 7.424 -0.145 1.00 0.00 O ATOM 657 CB ILE A 49 7.727 7.268 1.289 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.643 6.837 2.279 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.162 8.248 0.270 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.376 7.856 3.365 1.00 0.00 C ATOM 0 H ILE A 49 9.537 5.501 2.197 1.00 0.00 H new ATOM 0 HA ILE A 49 7.525 5.518 0.045 1.00 0.00 H new ATOM 0 HB ILE A 49 8.521 7.767 1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.718 6.649 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.938 5.895 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.745 9.112 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.957 8.575 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.378 7.759 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.597 7.483 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.289 8.027 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.050 8.793 2.913 1.00 0.00 H new ATOM 672 N VAL A 50 9.404 5.862 -1.585 1.00 0.00 N ATOM 673 CA VAL A 50 10.362 6.211 -2.628 1.00 0.00 C ATOM 674 C VAL A 50 10.082 7.601 -3.188 1.00 0.00 C ATOM 675 O VAL A 50 8.935 7.987 -3.413 1.00 0.00 O ATOM 676 CB VAL A 50 10.335 5.190 -3.780 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.299 5.603 -4.882 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.666 3.797 -3.265 1.00 0.00 C ATOM 0 H VAL A 50 8.775 5.097 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 50 11.350 6.200 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 50 9.329 5.168 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.266 4.870 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.012 6.581 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.311 5.655 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.642 3.088 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.660 3.801 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.933 3.503 -2.514 1.00 0.00 H new ATOM 688 N PRO A 51 11.155 8.373 -3.419 1.00 0.00 N ATOM 689 CA PRO A 51 11.050 9.732 -3.958 1.00 0.00 C ATOM 690 C PRO A 51 10.603 9.746 -5.415 1.00 0.00 C ATOM 691 O PRO A 51 11.402 9.509 -6.321 1.00 0.00 O ATOM 692 CB PRO A 51 12.476 10.275 -3.830 1.00 0.00 C ATOM 693 CG PRO A 51 13.345 9.064 -3.846 1.00 0.00 C ATOM 694 CD PRO A 51 12.552 7.977 -3.174 1.00 0.00 C ATOM 0 HA PRO A 51 10.304 10.324 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.719 10.948 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.603 10.841 -2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.605 8.783 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.281 9.248 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.772 6.998 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.772 7.919 -2.108 1.00 0.00 H new ATOM 702 N MET A 52 9.323 10.025 -5.634 1.00 0.00 N ATOM 703 CA MET A 52 8.771 10.071 -6.983 1.00 0.00 C ATOM 704 C MET A 52 8.895 11.472 -7.574 1.00 0.00 C ATOM 705 O MET A 52 9.478 11.656 -8.642 1.00 0.00 O ATOM 706 CB MET A 52 7.303 9.638 -6.972 1.00 0.00 C ATOM 707 CG MET A 52 7.114 8.137 -6.825 1.00 0.00 C ATOM 708 SD MET A 52 5.615 7.544 -7.632 1.00 0.00 S ATOM 709 CE MET A 52 6.219 6.049 -8.412 1.00 0.00 C ATOM 0 H MET A 52 8.648 10.223 -4.895 1.00 0.00 H new ATOM 0 HA MET A 52 9.341 9.381 -7.605 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.790 10.143 -6.153 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.829 9.967 -7.897 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.977 7.623 -7.248 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.078 7.881 -5.766 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.383 5.502 -8.847 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.930 6.309 -9.196 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.713 5.424 -7.668 1.00 0.00 H new ATOM 719 N GLY A 53 8.343 12.457 -6.872 1.00 0.00 N ATOM 720 CA GLY A 53 8.403 13.828 -7.343 1.00 0.00 C ATOM 721 C GLY A 53 8.169 14.834 -6.233 1.00 0.00 C ATOM 722 O GLY A 53 8.640 14.652 -5.111 1.00 0.00 O ATOM 0 H GLY A 53 7.855 12.330 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.378 14.011 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.657 13.973 -8.124 1.00 0.00 H new ATOM 726 N LYS A 54 7.440 15.899 -6.547 1.00 0.00 N ATOM 727 CA LYS A 54 7.144 16.939 -5.568 1.00 0.00 C ATOM 728 C LYS A 54 6.044 16.489 -4.611 1.00 0.00 C ATOM 729 O LYS A 54 6.250 16.426 -3.400 1.00 0.00 O ATOM 730 CB LYS A 54 6.722 18.229 -6.276 1.00 0.00 C ATOM 731 CG LYS A 54 7.033 19.487 -5.484 1.00 0.00 C ATOM 732 CD LYS A 54 6.051 19.683 -4.341 1.00 0.00 C ATOM 733 CE LYS A 54 4.766 20.342 -4.817 1.00 0.00 C ATOM 734 NZ LYS A 54 4.854 21.828 -4.772 1.00 0.00 N ATOM 0 H LYS A 54 7.043 16.065 -7.472 1.00 0.00 H new ATOM 0 HA LYS A 54 8.049 17.127 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.224 18.284 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.651 18.191 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.047 19.427 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.000 20.352 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.821 18.718 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.511 20.297 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.550 20.022 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.935 20.009 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.958 22.239 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.035 22.136 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.630 22.149 -5.385 1.00 0.00 H new ATOM 748 N ASN A 55 4.877 16.174 -5.164 1.00 0.00 N ATOM 749 CA ASN A 55 3.746 15.728 -4.359 1.00 0.00 C ATOM 750 C ASN A 55 3.364 14.292 -4.705 1.00 0.00 C ATOM 751 O ASN A 55 2.195 13.915 -4.631 1.00 0.00 O ATOM 752 CB ASN A 55 2.545 16.652 -4.573 1.00 0.00 C ATOM 753 CG ASN A 55 2.346 17.014 -6.033 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.312 16.141 -6.900 1.00 0.00 O ATOM 755 ND2 ASN A 55 2.215 18.306 -6.310 1.00 0.00 N ATOM 0 H ASN A 55 4.690 16.219 -6.166 1.00 0.00 H new ATOM 0 HA ASN A 55 4.042 15.764 -3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.645 16.166 -4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.683 17.563 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.080 18.610 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.250 18.995 -5.558 1.00 0.00 H new ATOM 762 N SER A 56 4.359 13.496 -5.083 1.00 0.00 N ATOM 763 CA SER A 56 4.128 12.102 -5.444 1.00 0.00 C ATOM 764 C SER A 56 4.835 11.165 -4.470 1.00 0.00 C ATOM 765 O SER A 56 6.018 11.336 -4.172 1.00 0.00 O ATOM 766 CB SER A 56 4.614 11.835 -6.870 1.00 0.00 C ATOM 767 OG SER A 56 3.762 12.449 -7.822 1.00 0.00 O ATOM 0 H SER A 56 5.333 13.792 -5.147 1.00 0.00 H new ATOM 0 HA SER A 56 3.056 11.911 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.629 12.213 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.651 10.761 -7.050 1.00 0.00 H new ATOM 0 HG SER A 56 4.095 12.265 -8.725 1.00 0.00 H new ATOM 773 N HIS A 57 4.101 10.172 -3.976 1.00 0.00 N ATOM 774 CA HIS A 57 4.657 9.206 -3.035 1.00 0.00 C ATOM 775 C HIS A 57 4.270 7.783 -3.426 1.00 0.00 C ATOM 776 O HIS A 57 3.132 7.524 -3.819 1.00 0.00 O ATOM 777 CB HIS A 57 4.173 9.507 -1.616 1.00 0.00 C ATOM 778 CG HIS A 57 4.012 10.969 -1.336 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.074 11.848 -1.291 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.905 11.706 -1.086 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.627 13.062 -1.024 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.314 13.003 -0.896 1.00 0.00 N ATOM 0 H HIS A 57 3.121 10.016 -4.212 1.00 0.00 H new ATOM 0 HA HIS A 57 5.743 9.290 -3.065 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.218 9.007 -1.453 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.880 9.084 -0.902 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.889 11.342 -1.044 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.232 13.951 -0.927 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.703 13.793 -0.689 1.00 0.00 H new ATOM 791 N CYS A 58 5.224 6.865 -3.317 1.00 0.00 N ATOM 792 CA CYS A 58 4.984 5.468 -3.661 1.00 0.00 C ATOM 793 C CYS A 58 5.417 4.546 -2.526 1.00 0.00 C ATOM 794 O CYS A 58 6.581 4.541 -2.125 1.00 0.00 O ATOM 795 CB CYS A 58 5.730 5.101 -4.945 1.00 0.00 C ATOM 796 SG CYS A 58 4.921 3.818 -5.928 1.00 0.00 S ATOM 0 H CYS A 58 6.171 7.063 -2.993 1.00 0.00 H new ATOM 0 HA CYS A 58 3.914 5.339 -3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.841 5.996 -5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.734 4.766 -4.686 1.00 0.00 H new ATOM 0 HG CYS A 58 5.721 3.428 -6.876 1.00 0.00 H new ATOM 802 N VAL A 59 4.471 3.767 -2.009 1.00 0.00 N ATOM 803 CA VAL A 59 4.754 2.841 -0.919 1.00 0.00 C ATOM 804 C VAL A 59 5.016 1.435 -1.447 1.00 0.00 C ATOM 805 O VAL A 59 4.097 0.747 -1.892 1.00 0.00 O ATOM 806 CB VAL A 59 3.592 2.791 0.090 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.923 1.851 1.240 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.275 4.186 0.606 1.00 0.00 C ATOM 0 H VAL A 59 3.502 3.759 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 59 5.648 3.209 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 59 2.708 2.407 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.090 1.829 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.097 0.848 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.819 2.203 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.451 4.132 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.154 4.600 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.992 4.827 -0.229 1.00 0.00 H new ATOM 818 N ARG A 60 6.275 1.013 -1.393 1.00 0.00 N ATOM 819 CA ARG A 60 6.658 -0.311 -1.866 1.00 0.00 C ATOM 820 C ARG A 60 6.853 -1.271 -0.696 1.00 0.00 C ATOM 821 O ARG A 60 7.611 -0.990 0.232 1.00 0.00 O ATOM 822 CB ARG A 60 7.944 -0.229 -2.691 1.00 0.00 C ATOM 823 CG ARG A 60 7.703 0.015 -4.172 1.00 0.00 C ATOM 824 CD ARG A 60 8.994 -0.081 -4.970 1.00 0.00 C ATOM 825 NE ARG A 60 8.761 0.049 -6.406 1.00 0.00 N ATOM 826 CZ ARG A 60 9.726 0.281 -7.289 1.00 0.00 C ATOM 827 NH1 ARG A 60 10.983 0.406 -6.885 1.00 0.00 N ATOM 828 NH2 ARG A 60 9.435 0.386 -8.579 1.00 0.00 N ATOM 0 H ARG A 60 7.047 1.569 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 60 5.853 -0.691 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.568 0.573 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.503 -1.157 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.986 -0.713 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.260 1.001 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.681 0.699 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.476 -1.037 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 60 7.805 -0.043 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.211 0.324 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.722 0.584 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.470 0.289 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.177 0.564 -9.256 1.00 0.00 H new ATOM 842 N PHE A 61 6.162 -2.406 -0.747 1.00 0.00 N ATOM 843 CA PHE A 61 6.257 -3.407 0.309 1.00 0.00 C ATOM 844 C PHE A 61 5.905 -4.793 -0.223 1.00 0.00 C ATOM 845 O PHE A 61 5.397 -4.933 -1.335 1.00 0.00 O ATOM 846 CB PHE A 61 5.330 -3.043 1.471 1.00 0.00 C ATOM 847 CG PHE A 61 3.882 -2.961 1.079 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.184 -4.101 0.715 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.220 -1.744 1.074 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.851 -4.029 0.355 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.888 -1.666 0.715 1.00 0.00 C ATOM 852 CZ PHE A 61 1.203 -2.810 0.354 1.00 0.00 C ATOM 0 H PHE A 61 5.531 -2.655 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 61 7.286 -3.425 0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.443 -3.785 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.641 -2.084 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.687 -5.057 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.751 -0.846 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.317 -4.925 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.383 -0.711 0.717 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.162 -2.751 0.071 1.00 0.00 H new ATOM 862 N VAL A 62 6.180 -5.816 0.581 1.00 0.00 N ATOM 863 CA VAL A 62 5.892 -7.191 0.193 1.00 0.00 C ATOM 864 C VAL A 62 4.762 -7.775 1.033 1.00 0.00 C ATOM 865 O VAL A 62 4.958 -8.205 2.170 1.00 0.00 O ATOM 866 CB VAL A 62 7.137 -8.087 0.335 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.852 -9.486 -0.189 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.323 -7.468 -0.390 1.00 0.00 C ATOM 0 H VAL A 62 6.602 -5.718 1.505 1.00 0.00 H new ATOM 0 HA VAL A 62 5.588 -7.166 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 62 7.387 -8.166 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.743 -10.104 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.033 -9.927 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.575 -9.431 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.194 -8.114 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.085 -7.357 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.540 -6.489 0.038 1.00 0.00 H new ATOM 878 N PRO A 63 3.548 -7.790 0.463 1.00 0.00 N ATOM 879 CA PRO A 63 2.361 -8.319 1.142 1.00 0.00 C ATOM 880 C PRO A 63 2.413 -9.835 1.303 1.00 0.00 C ATOM 881 O PRO A 63 3.355 -10.484 0.850 1.00 0.00 O ATOM 882 CB PRO A 63 1.213 -7.920 0.212 1.00 0.00 C ATOM 883 CG PRO A 63 1.842 -7.789 -1.133 1.00 0.00 C ATOM 884 CD PRO A 63 3.241 -7.294 -0.889 1.00 0.00 C ATOM 0 HA PRO A 63 2.263 -7.928 2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.426 -8.674 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.755 -6.983 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.852 -8.746 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.285 -7.092 -1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.940 -7.685 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.297 -6.207 -0.940 1.00 0.00 H new ATOM 892 N GLN A 64 1.394 -10.392 1.950 1.00 0.00 N ATOM 893 CA GLN A 64 1.325 -11.831 2.171 1.00 0.00 C ATOM 894 C GLN A 64 0.291 -12.474 1.252 1.00 0.00 C ATOM 895 O GLN A 64 -0.449 -11.780 0.555 1.00 0.00 O ATOM 896 CB GLN A 64 0.981 -12.129 3.631 1.00 0.00 C ATOM 897 CG GLN A 64 2.052 -11.679 4.612 1.00 0.00 C ATOM 898 CD GLN A 64 3.317 -12.510 4.517 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.462 -13.521 5.204 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.240 -12.087 3.662 1.00 0.00 N ATOM 0 H GLN A 64 0.605 -9.868 2.330 1.00 0.00 H new ATOM 0 HA GLN A 64 2.303 -12.255 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.041 -11.638 3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.821 -13.201 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.294 -10.633 4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.658 -11.738 5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.078 -11.243 3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.112 -12.606 3.555 1.00 0.00 H new ATOM 909 N GLU A 65 0.248 -13.802 1.256 1.00 0.00 N ATOM 910 CA GLU A 65 -0.695 -14.538 0.421 1.00 0.00 C ATOM 911 C GLU A 65 -2.062 -14.627 1.093 1.00 0.00 C ATOM 912 O GLU A 65 -2.165 -14.975 2.269 1.00 0.00 O ATOM 913 CB GLU A 65 -0.164 -15.943 0.130 1.00 0.00 C ATOM 914 CG GLU A 65 0.055 -16.781 1.378 1.00 0.00 C ATOM 915 CD GLU A 65 0.998 -17.945 1.141 1.00 0.00 C ATOM 916 OE1 GLU A 65 0.603 -18.896 0.436 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.133 -17.903 1.661 1.00 0.00 O ATOM 0 H GLU A 65 0.854 -14.390 1.827 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.807 -13.998 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.866 -16.459 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.778 -15.861 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.456 -16.149 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.904 -17.161 1.729 1.00 0.00 H new ATOM 924 N MET A 66 -3.108 -14.310 0.337 1.00 0.00 N ATOM 925 CA MET A 66 -4.469 -14.355 0.859 1.00 0.00 C ATOM 926 C MET A 66 -4.547 -13.696 2.233 1.00 0.00 C ATOM 927 O MET A 66 -5.113 -14.257 3.170 1.00 0.00 O ATOM 928 CB MET A 66 -4.957 -15.803 0.947 1.00 0.00 C ATOM 929 CG MET A 66 -4.937 -16.533 -0.387 1.00 0.00 C ATOM 930 SD MET A 66 -3.369 -17.367 -0.698 1.00 0.00 S ATOM 931 CE MET A 66 -2.918 -16.660 -2.280 1.00 0.00 C ATOM 0 H MET A 66 -3.039 -14.019 -0.638 1.00 0.00 H new ATOM 0 HA MET A 66 -5.112 -13.803 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.334 -16.345 1.658 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.973 -15.812 1.342 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.744 -17.265 -0.408 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.131 -15.821 -1.189 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.966 -17.078 -2.607 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.689 -16.892 -3.015 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.824 -15.578 -2.182 1.00 0.00 H new ATOM 941 N GLY A 67 -3.974 -12.502 2.344 1.00 0.00 N ATOM 942 CA GLY A 67 -3.989 -11.787 3.607 1.00 0.00 C ATOM 943 C GLY A 67 -4.349 -10.324 3.441 1.00 0.00 C ATOM 944 O GLY A 67 -3.685 -9.593 2.705 1.00 0.00 O ATOM 0 H GLY A 67 -3.500 -12.017 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.704 -12.260 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.009 -11.866 4.077 1.00 0.00 H new ATOM 948 N VAL A 68 -5.405 -9.894 4.125 1.00 0.00 N ATOM 949 CA VAL A 68 -5.853 -8.509 4.049 1.00 0.00 C ATOM 950 C VAL A 68 -5.059 -7.622 5.001 1.00 0.00 C ATOM 951 O VAL A 68 -5.179 -7.737 6.221 1.00 0.00 O ATOM 952 CB VAL A 68 -7.352 -8.385 4.379 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.796 -6.932 4.312 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.178 -9.247 3.437 1.00 0.00 C ATOM 0 H VAL A 68 -5.966 -10.485 4.738 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.686 -8.178 3.024 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.512 -8.742 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.858 -6.865 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.226 -6.344 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.622 -6.544 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.235 -9.147 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.014 -8.923 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.878 -10.290 3.541 1.00 0.00 H new ATOM 964 N HIS A 69 -4.246 -6.735 4.435 1.00 0.00 N ATOM 965 CA HIS A 69 -3.432 -5.825 5.234 1.00 0.00 C ATOM 966 C HIS A 69 -4.022 -4.418 5.226 1.00 0.00 C ATOM 967 O HIS A 69 -4.866 -4.092 4.391 1.00 0.00 O ATOM 968 CB HIS A 69 -1.998 -5.792 4.704 1.00 0.00 C ATOM 969 CG HIS A 69 -1.399 -7.152 4.513 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.913 -8.085 3.638 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.320 -7.732 5.090 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.178 -9.182 3.686 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.205 -8.994 4.559 1.00 0.00 N ATOM 0 H HIS A 69 -4.133 -6.627 3.427 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.424 -6.190 6.261 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.983 -5.260 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.376 -5.224 5.396 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.733 -7.950 3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.329 -7.286 5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.345 -10.080 3.109 1.00 0.00 H new ATOM 982 N THR A 70 -3.573 -3.589 6.163 1.00 0.00 N ATOM 983 CA THR A 70 -4.058 -2.218 6.265 1.00 0.00 C ATOM 984 C THR A 70 -2.903 -1.223 6.247 1.00 0.00 C ATOM 985 O THR A 70 -1.970 -1.326 7.044 1.00 0.00 O ATOM 986 CB THR A 70 -4.881 -2.008 7.550 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.642 -3.185 7.842 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.816 -0.817 7.405 1.00 0.00 C ATOM 0 H THR A 70 -2.875 -3.843 6.862 1.00 0.00 H new ATOM 0 HA THR A 70 -4.697 -2.044 5.400 1.00 0.00 H new ATOM 0 HB THR A 70 -4.190 -1.810 8.369 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.563 -3.066 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.387 -0.688 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.232 0.083 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.500 -0.991 6.575 1.00 0.00 H new ATOM 996 N VAL A 71 -2.971 -0.260 5.333 1.00 0.00 N ATOM 997 CA VAL A 71 -1.931 0.754 5.213 1.00 0.00 C ATOM 998 C VAL A 71 -2.245 1.969 6.080 1.00 0.00 C ATOM 999 O VAL A 71 -3.130 2.762 5.758 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.759 1.211 3.752 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.676 2.274 3.649 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.439 0.023 2.857 1.00 0.00 C ATOM 0 H VAL A 71 -3.736 -0.161 4.665 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.002 0.297 5.555 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.698 1.649 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.569 2.585 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.952 3.135 4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.270 1.866 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.321 0.364 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.514 -0.446 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.253 -0.701 2.908 1.00 0.00 H new ATOM 1012 N SER A 72 -1.515 2.107 7.182 1.00 0.00 N ATOM 1013 CA SER A 72 -1.717 3.224 8.098 1.00 0.00 C ATOM 1014 C SER A 72 -0.878 4.428 7.681 1.00 0.00 C ATOM 1015 O SER A 72 0.350 4.356 7.630 1.00 0.00 O ATOM 1016 CB SER A 72 -1.360 2.809 9.527 1.00 0.00 C ATOM 1017 OG SER A 72 -0.239 1.943 9.542 1.00 0.00 O ATOM 0 H SER A 72 -0.778 1.460 7.462 1.00 0.00 H new ATOM 0 HA SER A 72 -2.769 3.507 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.146 3.696 10.124 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.213 2.312 9.989 1.00 0.00 H new ATOM 0 HG SER A 72 -0.220 1.447 10.387 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.551 5.535 7.383 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.869 6.756 6.971 1.00 0.00 C ATOM 1025 C VAL A 73 -1.345 7.953 7.787 1.00 0.00 C ATOM 1026 O VAL A 73 -2.403 8.521 7.517 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.093 7.047 5.475 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.312 8.280 5.048 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.703 5.840 4.634 1.00 0.00 C ATOM 0 H VAL A 73 -2.568 5.611 7.419 1.00 0.00 H new ATOM 0 HA VAL A 73 0.195 6.599 7.147 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.153 7.245 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.483 8.470 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.644 9.140 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.752 8.115 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.868 6.063 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.350 5.608 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.312 4.983 4.923 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.555 8.332 8.786 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.893 9.463 9.642 1.00 0.00 C ATOM 1041 C LYS A 74 0.040 10.641 9.380 1.00 0.00 C ATOM 1042 O LYS A 74 1.174 10.461 8.937 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.817 9.055 11.115 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.125 8.512 11.664 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.220 8.703 13.168 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.663 8.868 13.619 1.00 0.00 C ATOM 1047 NZ LYS A 74 -4.090 10.294 13.601 1.00 0.00 N ATOM 0 H LYS A 74 0.324 7.872 9.023 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.912 9.771 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.041 8.299 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.515 9.919 11.707 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.961 9.015 11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.209 7.452 11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.776 7.846 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.643 9.580 13.462 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.316 8.285 12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.777 8.468 14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.129 10.346 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.710 10.781 14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.730 10.753 12.740 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.444 11.846 9.659 1.00 0.00 N ATOM 1062 CA TYR A 75 0.346 13.054 9.453 1.00 0.00 C ATOM 1063 C TYR A 75 0.182 14.019 10.623 1.00 0.00 C ATOM 1064 O TYR A 75 -0.855 14.666 10.768 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.064 13.741 8.150 1.00 0.00 C ATOM 1066 CG TYR A 75 0.376 15.185 8.062 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.712 15.514 7.866 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.543 16.221 8.176 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.119 16.831 7.786 1.00 0.00 C ATOM 1070 CE2 TYR A 75 -0.145 17.541 8.095 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.187 17.841 7.901 1.00 0.00 C ATOM 1072 OH TYR A 75 1.588 19.155 7.821 1.00 0.00 O ATOM 0 H TYR A 75 -1.380 12.012 10.029 1.00 0.00 H new ATOM 0 HA TYR A 75 1.395 12.764 9.389 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.358 13.190 7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.148 13.694 8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.445 14.726 7.775 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.587 15.990 8.331 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.161 17.069 7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.873 18.334 8.183 1.00 0.00 H new ATOM 0 HH TYR A 75 0.809 19.741 7.920 1.00 0.00 H new ATOM 1082 N ARG A 76 1.214 14.109 11.456 1.00 0.00 N ATOM 1083 CA ARG A 76 1.186 14.994 12.615 1.00 0.00 C ATOM 1084 C ARG A 76 0.076 14.589 13.581 1.00 0.00 C ATOM 1085 O ARG A 76 -0.430 15.413 14.342 1.00 0.00 O ATOM 1086 CB ARG A 76 0.986 16.444 12.171 1.00 0.00 C ATOM 1087 CG ARG A 76 2.282 17.161 11.830 1.00 0.00 C ATOM 1088 CD ARG A 76 2.156 18.664 12.027 1.00 0.00 C ATOM 1089 NE ARG A 76 1.842 19.011 13.410 1.00 0.00 N ATOM 1090 CZ ARG A 76 1.890 20.250 13.886 1.00 0.00 C ATOM 1091 NH1 ARG A 76 2.236 21.255 13.094 1.00 0.00 N ATOM 1092 NH2 ARG A 76 1.590 20.486 15.157 1.00 0.00 N ATOM 0 H ARG A 76 2.080 13.580 11.350 1.00 0.00 H new ATOM 0 HA ARG A 76 2.143 14.908 13.130 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.331 16.461 11.300 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.476 16.991 12.964 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.087 16.777 12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.555 16.950 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.088 19.147 11.735 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.377 19.051 11.370 1.00 0.00 H new ATOM 0 HE ARG A 76 1.571 18.261 14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.466 21.078 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.272 22.206 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.322 19.715 15.769 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.627 21.438 15.522 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.297 13.313 13.544 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.344 12.821 14.420 1.00 0.00 C ATOM 1108 C GLY A 77 -2.730 13.030 13.842 1.00 0.00 C ATOM 1109 O GLY A 77 -3.656 13.413 14.556 1.00 0.00 O ATOM 0 H GLY A 77 0.107 12.612 12.923 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.188 11.758 14.606 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.275 13.327 15.383 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.872 12.779 12.544 1.00 0.00 N ATOM 1114 CA GLN A 78 -4.154 12.945 11.870 1.00 0.00 C ATOM 1115 C GLN A 78 -4.229 12.073 10.621 1.00 0.00 C ATOM 1116 O GLN A 78 -3.445 12.240 9.687 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.372 14.412 11.497 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.644 15.310 12.692 1.00 0.00 C ATOM 1119 CD GLN A 78 -5.125 16.690 12.288 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.340 17.529 11.845 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -6.422 16.933 12.438 1.00 0.00 N ATOM 0 H GLN A 78 -2.115 12.460 11.939 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.940 12.632 12.557 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.491 14.779 10.971 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.210 14.481 10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.392 14.841 13.331 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.734 15.406 13.284 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.037 16.209 12.809 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.803 17.844 12.182 1.00 0.00 H new ATOM 1130 N HIS A 79 -5.177 11.141 10.612 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.355 10.242 9.477 1.00 0.00 C ATOM 1132 C HIS A 79 -5.756 11.019 8.227 1.00 0.00 C ATOM 1133 O HIS A 79 -6.734 11.767 8.236 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.412 9.185 9.797 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.872 8.004 10.543 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.821 7.240 10.083 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -6.243 7.458 11.725 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.570 6.274 10.948 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.418 6.385 11.954 1.00 0.00 N ATOM 0 H HIS A 79 -5.834 10.989 11.378 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.404 9.746 9.285 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.206 9.644 10.386 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.863 8.841 8.866 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.040 7.802 12.368 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.802 5.521 10.849 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.454 5.773 12.769 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.995 10.836 7.153 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.271 11.519 5.895 1.00 0.00 C ATOM 1150 C VAL A 80 -6.559 11.004 5.261 1.00 0.00 C ATOM 1151 O VAL A 80 -7.164 10.048 5.747 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.114 11.344 4.894 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.820 11.898 5.472 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.954 9.879 4.516 1.00 0.00 C ATOM 0 H VAL A 80 -4.182 10.220 7.129 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.382 12.578 6.128 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.350 11.905 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.013 11.766 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.943 12.959 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.575 11.366 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.132 9.774 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.740 9.294 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.875 9.519 4.059 1.00 0.00 H new ATOM 1164 N THR A 81 -6.973 11.644 4.172 1.00 0.00 N ATOM 1165 CA THR A 81 -8.189 11.251 3.471 1.00 0.00 C ATOM 1166 C THR A 81 -8.110 9.803 3.002 1.00 0.00 C ATOM 1167 O THR A 81 -7.197 9.427 2.267 1.00 0.00 O ATOM 1168 CB THR A 81 -8.455 12.159 2.255 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.491 13.530 2.666 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.768 11.790 1.581 1.00 0.00 C ATOM 0 H THR A 81 -6.484 12.437 3.756 1.00 0.00 H new ATOM 0 HA THR A 81 -9.010 11.356 4.180 1.00 0.00 H new ATOM 0 HB THR A 81 -7.646 12.017 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.659 14.101 1.887 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.934 12.445 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.725 10.755 1.243 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.587 11.906 2.291 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.073 8.993 3.431 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.094 7.594 3.044 1.00 0.00 C ATOM 1180 C GLY A 82 -8.352 6.710 4.025 1.00 0.00 C ATOM 1181 O GLY A 82 -8.843 5.649 4.411 1.00 0.00 O ATOM 0 H GLY A 82 -9.839 9.281 4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.128 7.257 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.649 7.487 2.055 1.00 0.00 H new ATOM 1185 N SER A 83 -7.163 7.146 4.431 1.00 0.00 N ATOM 1186 CA SER A 83 -6.348 6.384 5.369 1.00 0.00 C ATOM 1187 C SER A 83 -7.111 6.126 6.666 1.00 0.00 C ATOM 1188 O SER A 83 -7.862 6.972 7.152 1.00 0.00 O ATOM 1189 CB SER A 83 -5.046 7.128 5.669 1.00 0.00 C ATOM 1190 OG SER A 83 -4.245 6.405 6.587 1.00 0.00 O ATOM 0 H SER A 83 -6.743 8.024 4.124 1.00 0.00 H new ATOM 0 HA SER A 83 -6.111 5.424 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.492 7.285 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.272 8.113 6.076 1.00 0.00 H new ATOM 0 HG SER A 83 -3.672 7.027 7.082 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.914 4.930 7.240 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.022 3.916 6.670 1.00 0.00 C ATOM 1198 C PRO A 84 -6.575 3.316 5.381 1.00 0.00 C ATOM 1199 O PRO A 84 -7.786 3.305 5.160 1.00 0.00 O ATOM 1200 CB PRO A 84 -5.949 2.851 7.767 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.216 3.010 8.534 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.546 4.476 8.489 1.00 0.00 C ATOM 0 HA PRO A 84 -5.053 4.333 6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.866 1.850 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.078 2.999 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.016 2.416 8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.095 2.669 9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.623 4.645 8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.148 5.004 9.356 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.681 2.817 4.534 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.080 2.216 3.267 1.00 0.00 C ATOM 1212 C PHE A 85 -5.972 0.695 3.329 1.00 0.00 C ATOM 1213 O PHE A 85 -4.873 0.143 3.378 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.213 2.754 2.127 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.245 4.251 2.005 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.273 4.881 1.321 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.249 5.028 2.573 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.305 6.258 1.206 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.275 6.405 2.461 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.306 7.021 1.778 1.00 0.00 C ATOM 0 H PHE A 85 -4.675 2.817 4.702 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.120 2.482 3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.183 2.432 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.547 2.314 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.058 4.289 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.442 4.552 3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.111 6.737 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.491 6.999 2.907 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.331 8.097 1.692 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.120 0.026 3.327 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.155 -1.431 3.384 1.00 0.00 C ATOM 1232 C GLN A 86 -7.166 -2.030 1.982 1.00 0.00 C ATOM 1233 O GLN A 86 -7.806 -1.500 1.074 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.384 -1.902 4.163 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.188 -3.242 4.855 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.094 -3.415 6.058 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -8.625 -3.626 7.177 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.400 -3.328 5.834 1.00 0.00 N ATOM 0 H GLN A 86 -8.038 0.469 3.287 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.256 -1.772 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.641 -1.151 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.231 -1.975 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.378 -4.045 4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.149 -3.335 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.745 -3.152 4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.058 -3.437 6.606 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.453 -3.139 1.812 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.380 -3.811 0.520 1.00 0.00 C ATOM 1249 C PHE A 87 -6.166 -5.311 0.698 1.00 0.00 C ATOM 1250 O PHE A 87 -5.389 -5.742 1.551 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.249 -3.219 -0.323 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.879 -3.598 0.162 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.373 -4.866 -0.074 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.096 -2.686 0.852 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.113 -5.218 0.372 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.835 -3.033 1.300 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.342 -4.300 1.058 1.00 0.00 C ATOM 0 H PHE A 87 -5.918 -3.591 2.553 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.328 -3.656 0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.365 -3.549 -1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.338 -2.133 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.970 -5.587 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.475 -1.693 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.731 -6.211 0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.236 -2.314 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.356 -4.572 1.404 1.00 0.00 H new ATOM 1267 N THR A 88 -6.860 -6.102 -0.113 1.00 0.00 N ATOM 1268 CA THR A 88 -6.748 -7.554 -0.046 1.00 0.00 C ATOM 1269 C THR A 88 -5.779 -8.080 -1.098 1.00 0.00 C ATOM 1270 O THR A 88 -5.734 -7.578 -2.221 1.00 0.00 O ATOM 1271 CB THR A 88 -8.117 -8.233 -0.239 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.042 -7.761 0.747 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.990 -9.745 -0.141 1.00 0.00 C ATOM 0 H THR A 88 -7.506 -5.762 -0.825 1.00 0.00 H new ATOM 0 HA THR A 88 -6.368 -7.796 0.947 1.00 0.00 H new ATOM 0 HB THR A 88 -8.486 -7.980 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.910 -8.196 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.970 -10.202 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.309 -10.104 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.600 -10.015 0.841 1.00 0.00 H new ATOM 1281 N VAL A 89 -5.005 -9.096 -0.728 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.037 -9.692 -1.641 1.00 0.00 C ATOM 1283 C VAL A 89 -4.500 -11.066 -2.111 1.00 0.00 C ATOM 1284 O VAL A 89 -5.034 -11.853 -1.331 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.652 -9.826 -0.982 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.638 -10.371 -1.976 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.196 -8.486 -0.423 1.00 0.00 C ATOM 0 H VAL A 89 -5.030 -9.523 0.198 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.959 -9.025 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.729 -10.532 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.665 -10.459 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.960 -11.353 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.561 -9.693 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.215 -8.599 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.134 -7.757 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.911 -8.141 0.324 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.289 -11.350 -3.393 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.690 -12.630 -3.946 1.00 0.00 C ATOM 1299 C GLY A 90 -3.504 -13.503 -4.306 1.00 0.00 C ATOM 1300 O GLY A 90 -2.404 -13.341 -3.778 1.00 0.00 O ATOM 0 H GLY A 90 -3.847 -10.716 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.317 -13.154 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.298 -12.464 -4.835 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.722 -14.454 -5.226 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.675 -15.375 -5.677 1.00 0.00 C ATOM 1306 C PRO A 91 -1.607 -14.675 -6.511 1.00 0.00 C ATOM 1307 O PRO A 91 -1.902 -13.740 -7.256 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.439 -16.392 -6.529 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.646 -15.659 -7.001 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.009 -14.703 -5.898 1.00 0.00 C ATOM 0 HA PRO A 91 -2.136 -15.820 -4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.835 -16.740 -7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.713 -17.271 -5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.440 -15.124 -7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.466 -16.348 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.442 -13.783 -6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.741 -15.135 -5.216 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.368 -15.134 -6.383 1.00 0.00 N ATOM 1319 CA LEU A 92 0.745 -14.553 -7.126 1.00 0.00 C ATOM 1320 C LEU A 92 0.431 -14.492 -8.617 1.00 0.00 C ATOM 1321 O LEU A 92 1.084 -13.772 -9.371 1.00 0.00 O ATOM 1322 CB LEU A 92 2.020 -15.366 -6.894 1.00 0.00 C ATOM 1323 CG LEU A 92 2.144 -16.662 -7.696 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.541 -17.245 -7.554 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.095 -17.669 -7.248 1.00 0.00 C ATOM 0 H LEU A 92 -0.108 -15.908 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 92 0.900 -13.537 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.877 -14.734 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.083 -15.611 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 92 1.973 -16.434 -8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.611 -18.167 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.274 -16.528 -7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.741 -17.458 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.198 -18.585 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.234 -17.893 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.100 -17.251 -7.403 1.00 0.00 H new