USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 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= -2.51! X(o=-3.3!,f=-3.7) USER MOD Set 1.2: A 83 SER OG : rot -140:sc= -0.839 USER MOD Set 2.1: A 39 SER OG : rot 126:sc= 1.76 USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0.828 USER MOD Set 3.1: A 33 MET CE :methyl -107:sc= -3.6! (180deg=-5.26!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -7.69! C(o=-11!,f=-12!) 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 -123:sc= -0.0667 USER MOD Single : A 22 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00514) USER MOD Single : A 29 ASN : amide:sc= 0.0203 K(o=0.02,f=-3.6!) 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 -16:sc= 0.631 USER MOD Single : A 36 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-0.55) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.115! USER MOD Single : A 52 MET CE :methyl -173:sc= 0 (180deg=-0.0669) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00125) USER MOD Single : A 55 ASN : amide:sc= -1.49! C(o=-1.5!,f=-1.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -0.591 USER MOD Single : A 64 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.74) USER MOD Single : A 66 MET CE :methyl 145:sc= -0.127 (180deg=-0.843) USER MOD Single : A 69 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-5.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : 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 30:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.287 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.844 -6.081 -5.387 1.00 0.00 N ATOM 142 CA ALA A 13 -2.462 -6.368 -5.024 1.00 0.00 C ATOM 143 C ALA A 13 -2.161 -7.858 -5.141 1.00 0.00 C ATOM 144 O ALA A 13 -3.029 -8.698 -4.904 1.00 0.00 O ATOM 145 CB ALA A 13 -2.175 -5.879 -3.612 1.00 0.00 C ATOM 0 HA ALA A 13 -1.812 -5.837 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.139 -6.100 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.341 -4.803 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.839 -6.383 -2.910 1.00 0.00 H new ATOM 151 N THR A 14 -0.925 -8.180 -5.511 1.00 0.00 N ATOM 152 CA THR A 14 -0.510 -9.569 -5.662 1.00 0.00 C ATOM 153 C THR A 14 0.487 -9.966 -4.579 1.00 0.00 C ATOM 154 O THR A 14 1.226 -9.127 -4.064 1.00 0.00 O ATOM 155 CB THR A 14 0.123 -9.819 -7.043 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.829 -9.540 -8.076 1.00 0.00 O ATOM 157 CG2 THR A 14 0.605 -11.257 -7.165 1.00 0.00 C ATOM 0 H THR A 14 -0.194 -7.497 -5.712 1.00 0.00 H new ATOM 0 HA THR A 14 -1.408 -10.179 -5.566 1.00 0.00 H new ATOM 0 HB THR A 14 0.981 -9.155 -7.151 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.418 -9.700 -8.951 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.048 -11.410 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.351 -11.457 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.239 -11.936 -7.038 1.00 0.00 H new ATOM 165 N VAL A 15 0.503 -11.251 -4.237 1.00 0.00 N ATOM 166 CA VAL A 15 1.411 -11.759 -3.216 1.00 0.00 C ATOM 167 C VAL A 15 2.836 -11.860 -3.749 1.00 0.00 C ATOM 168 O VAL A 15 3.052 -12.170 -4.920 1.00 0.00 O ATOM 169 CB VAL A 15 0.966 -13.143 -2.708 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.946 -14.150 -3.848 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.876 -13.616 -1.585 1.00 0.00 C ATOM 0 H VAL A 15 -0.103 -11.959 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 15 1.385 -11.050 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.046 -13.057 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.629 -15.122 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.250 -13.815 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.945 -14.235 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.547 -14.596 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.900 -13.686 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.834 -12.906 -0.759 1.00 0.00 H new ATOM 181 N GLY A 16 3.807 -11.595 -2.881 1.00 0.00 N ATOM 182 CA GLY A 16 5.200 -11.661 -3.282 1.00 0.00 C ATOM 183 C GLY A 16 5.624 -10.462 -4.107 1.00 0.00 C ATOM 184 O GLY A 16 6.679 -9.875 -3.866 1.00 0.00 O ATOM 0 H GLY A 16 3.654 -11.336 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.828 -11.727 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.366 -12.571 -3.858 1.00 0.00 H new ATOM 188 N SER A 17 4.800 -10.098 -5.085 1.00 0.00 N ATOM 189 CA SER A 17 5.098 -8.964 -5.952 1.00 0.00 C ATOM 190 C SER A 17 4.998 -7.650 -5.182 1.00 0.00 C ATOM 191 O SER A 17 4.098 -7.466 -4.363 1.00 0.00 O ATOM 192 CB SER A 17 4.141 -8.943 -7.146 1.00 0.00 C ATOM 193 OG SER A 17 4.414 -10.010 -8.037 1.00 0.00 O ATOM 0 H SER A 17 3.922 -10.572 -5.296 1.00 0.00 H new ATOM 0 HA SER A 17 6.120 -9.075 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.112 -9.014 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.232 -7.993 -7.673 1.00 0.00 H new ATOM 0 HG SER A 17 3.788 -9.975 -8.790 1.00 0.00 H new ATOM 199 N ILE A 18 5.929 -6.741 -5.453 1.00 0.00 N ATOM 200 CA ILE A 18 5.945 -5.445 -4.787 1.00 0.00 C ATOM 201 C ILE A 18 4.624 -4.709 -4.983 1.00 0.00 C ATOM 202 O ILE A 18 4.092 -4.652 -6.092 1.00 0.00 O ATOM 203 CB ILE A 18 7.094 -4.560 -5.307 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.442 -5.244 -5.068 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.059 -3.196 -4.633 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.777 -5.423 -3.604 1.00 0.00 C ATOM 0 H ILE A 18 6.681 -6.878 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 18 6.096 -5.638 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 18 6.966 -4.417 -6.380 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.436 -6.220 -5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.228 -4.657 -5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.877 -2.582 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.109 -2.708 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.166 -3.320 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.746 -5.914 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.815 -4.448 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.012 -6.036 -3.128 1.00 0.00 H new ATOM 218 N CYS A 19 4.100 -4.148 -3.899 1.00 0.00 N ATOM 219 CA CYS A 19 2.840 -3.414 -3.951 1.00 0.00 C ATOM 220 C CYS A 19 3.080 -1.913 -3.830 1.00 0.00 C ATOM 221 O CYS A 19 3.326 -1.399 -2.738 1.00 0.00 O ATOM 222 CB CYS A 19 1.906 -3.885 -2.836 1.00 0.00 C ATOM 223 SG CYS A 19 0.231 -3.213 -2.943 1.00 0.00 S ATOM 0 H CYS A 19 4.528 -4.187 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 19 2.372 -3.612 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.851 -4.973 -2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.337 -3.607 -1.874 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.053 -2.579 -1.844 1.00 0.00 H new ATOM 229 N ASP A 20 3.009 -1.215 -4.958 1.00 0.00 N ATOM 230 CA ASP A 20 3.219 0.228 -4.979 1.00 0.00 C ATOM 231 C ASP A 20 1.901 0.972 -4.788 1.00 0.00 C ATOM 232 O ASP A 20 0.892 0.639 -5.412 1.00 0.00 O ATOM 233 CB ASP A 20 3.871 0.651 -6.296 1.00 0.00 C ATOM 234 CG ASP A 20 5.185 -0.063 -6.546 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.978 -0.200 -5.591 1.00 0.00 O ATOM 236 OD2 ASP A 20 5.421 -0.484 -7.698 1.00 0.00 O ATOM 0 H ASP A 20 2.808 -1.625 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 20 3.884 0.485 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.187 0.446 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.042 1.727 -6.284 1.00 0.00 H new ATOM 241 N LEU A 21 1.915 1.979 -3.923 1.00 0.00 N ATOM 242 CA LEU A 21 0.721 2.771 -3.649 1.00 0.00 C ATOM 243 C LEU A 21 0.841 4.165 -4.254 1.00 0.00 C ATOM 244 O LEU A 21 1.569 5.015 -3.742 1.00 0.00 O ATOM 245 CB LEU A 21 0.489 2.875 -2.140 1.00 0.00 C ATOM 246 CG LEU A 21 -0.963 3.048 -1.695 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.742 1.758 -1.901 1.00 0.00 C ATOM 248 CD2 LEU A 21 -1.026 3.483 -0.238 1.00 0.00 C ATOM 0 H LEU A 21 2.741 2.267 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.131 2.269 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.888 1.977 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.067 3.718 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.420 3.826 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.773 1.900 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.726 1.488 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.286 0.960 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.067 3.601 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.552 2.727 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.504 4.432 -0.119 1.00 0.00 H new ATOM 260 N ASN A 22 0.119 4.395 -5.347 1.00 0.00 N ATOM 261 CA ASN A 22 0.143 5.688 -6.021 1.00 0.00 C ATOM 262 C ASN A 22 -0.549 6.754 -5.178 1.00 0.00 C ATOM 263 O ASN A 22 -1.777 6.794 -5.093 1.00 0.00 O ATOM 264 CB ASN A 22 -0.533 5.585 -7.390 1.00 0.00 C ATOM 265 CG ASN A 22 -0.128 4.332 -8.142 1.00 0.00 C ATOM 266 OD1 ASN A 22 -0.909 3.388 -8.263 1.00 0.00 O ATOM 267 ND2 ASN A 22 1.097 4.319 -8.653 1.00 0.00 N ATOM 0 H ASN A 22 -0.489 3.703 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 22 1.184 5.979 -6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.615 5.593 -7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.277 6.461 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.425 3.504 -9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.710 5.124 -8.528 1.00 0.00 H new ATOM 274 N LEU A 23 0.247 7.618 -4.557 1.00 0.00 N ATOM 275 CA LEU A 23 -0.288 8.686 -3.720 1.00 0.00 C ATOM 276 C LEU A 23 0.395 10.014 -4.031 1.00 0.00 C ATOM 277 O LEU A 23 1.582 10.054 -4.354 1.00 0.00 O ATOM 278 CB LEU A 23 -0.108 8.341 -2.241 1.00 0.00 C ATOM 279 CG LEU A 23 -0.881 7.121 -1.738 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.426 6.742 -0.337 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.378 7.391 -1.760 1.00 0.00 C ATOM 0 H LEU A 23 1.265 7.600 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.352 8.786 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.953 8.177 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.407 9.205 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.674 6.284 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.987 5.872 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.638 6.505 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.603 7.577 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.912 6.512 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.604 8.242 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.693 7.613 -2.780 1.00 0.00 H new ATOM 293 N LYS A 24 -0.363 11.101 -3.928 1.00 0.00 N ATOM 294 CA LYS A 24 0.168 12.433 -4.194 1.00 0.00 C ATOM 295 C LYS A 24 -0.585 13.489 -3.391 1.00 0.00 C ATOM 296 O LYS A 24 -1.777 13.709 -3.603 1.00 0.00 O ATOM 297 CB LYS A 24 0.077 12.751 -5.688 1.00 0.00 C ATOM 298 CG LYS A 24 -1.341 12.721 -6.231 1.00 0.00 C ATOM 299 CD LYS A 24 -1.358 12.500 -7.735 1.00 0.00 C ATOM 300 CE LYS A 24 -2.772 12.288 -8.251 1.00 0.00 C ATOM 301 NZ LYS A 24 -3.595 13.524 -8.139 1.00 0.00 N ATOM 0 H LYS A 24 -1.348 11.085 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 24 1.214 12.448 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.505 13.737 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.684 12.034 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.903 11.927 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.842 13.660 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.912 13.360 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.745 11.634 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.734 11.970 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.247 11.484 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.542 13.348 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.681 13.795 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.138 14.294 -8.668 1.00 0.00 H new ATOM 315 N ILE A 25 0.120 14.140 -2.471 1.00 0.00 N ATOM 316 CA ILE A 25 -0.482 15.174 -1.640 1.00 0.00 C ATOM 317 C ILE A 25 0.450 16.372 -1.492 1.00 0.00 C ATOM 318 O ILE A 25 1.487 16.305 -0.832 1.00 0.00 O ATOM 319 CB ILE A 25 -0.836 14.637 -0.240 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.526 13.276 -0.352 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.723 15.628 0.499 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.507 12.482 0.935 1.00 0.00 C ATOM 0 H ILE A 25 1.108 13.969 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.397 15.488 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 25 0.085 14.511 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.560 13.426 -0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.040 12.695 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.964 15.234 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.198 16.577 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.643 15.783 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.013 11.529 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.475 12.300 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.019 13.044 1.717 1.00 0.00 H new ATOM 334 N PRO A 26 0.073 17.496 -2.118 1.00 0.00 N ATOM 335 CA PRO A 26 0.861 18.732 -2.069 1.00 0.00 C ATOM 336 C PRO A 26 0.840 19.378 -0.689 1.00 0.00 C ATOM 337 O PRO A 26 1.578 20.327 -0.427 1.00 0.00 O ATOM 338 CB PRO A 26 0.168 19.635 -3.093 1.00 0.00 C ATOM 339 CG PRO A 26 -1.233 19.131 -3.156 1.00 0.00 C ATOM 340 CD PRO A 26 -1.151 17.648 -2.923 1.00 0.00 C ATOM 0 HA PRO A 26 1.915 18.553 -2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.199 20.680 -2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.654 19.575 -4.067 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.855 19.611 -2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.683 19.349 -4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.028 17.275 -2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.086 17.097 -3.861 1.00 0.00 H new ATOM 348 N GLU A 27 -0.011 18.858 0.191 1.00 0.00 N ATOM 349 CA GLU A 27 -0.127 19.386 1.545 1.00 0.00 C ATOM 350 C GLU A 27 0.662 18.530 2.532 1.00 0.00 C ATOM 351 O GLU A 27 0.743 18.848 3.719 1.00 0.00 O ATOM 352 CB GLU A 27 -1.596 19.448 1.968 1.00 0.00 C ATOM 353 CG GLU A 27 -2.283 20.750 1.592 1.00 0.00 C ATOM 354 CD GLU A 27 -3.747 20.772 1.988 1.00 0.00 C ATOM 355 OE1 GLU A 27 -4.333 19.683 2.160 1.00 0.00 O ATOM 356 OE2 GLU A 27 -4.306 21.881 2.125 1.00 0.00 O ATOM 0 H GLU A 27 -0.629 18.072 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 27 0.288 20.394 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.133 18.618 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.661 19.311 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.768 21.581 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.199 20.903 0.516 1.00 0.00 H new ATOM 363 N ILE A 28 1.241 17.443 2.033 1.00 0.00 N ATOM 364 CA ILE A 28 2.024 16.543 2.870 1.00 0.00 C ATOM 365 C ILE A 28 3.494 16.554 2.465 1.00 0.00 C ATOM 366 O ILE A 28 3.824 16.739 1.295 1.00 0.00 O ATOM 367 CB ILE A 28 1.493 15.099 2.792 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.052 15.034 3.302 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.386 14.163 3.593 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.067 15.195 4.801 1.00 0.00 C ATOM 0 H ILE A 28 1.182 17.165 1.053 1.00 0.00 H new ATOM 0 HA ILE A 28 1.930 16.903 3.895 1.00 0.00 H new ATOM 0 HB ILE A 28 1.505 14.779 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.533 15.813 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.385 14.078 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.998 13.146 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.398 14.192 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.402 14.480 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.116 15.138 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.490 14.401 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.339 16.162 5.096 1.00 0.00 H new ATOM 382 N ASN A 29 4.372 16.354 3.442 1.00 0.00 N ATOM 383 CA ASN A 29 5.808 16.340 3.188 1.00 0.00 C ATOM 384 C ASN A 29 6.375 14.932 3.345 1.00 0.00 C ATOM 385 O ASN A 29 6.116 14.255 4.340 1.00 0.00 O ATOM 386 CB ASN A 29 6.525 17.300 4.140 1.00 0.00 C ATOM 387 CG ASN A 29 7.828 17.819 3.564 1.00 0.00 C ATOM 388 OD1 ASN A 29 8.641 17.053 3.047 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.033 19.128 3.652 1.00 0.00 N ATOM 0 H ASN A 29 4.115 16.199 4.417 1.00 0.00 H new ATOM 0 HA ASN A 29 5.973 16.666 2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.870 18.141 4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.725 16.791 5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.892 19.536 3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.331 19.726 4.089 1.00 0.00 H new ATOM 396 N SER A 30 7.150 14.498 2.356 1.00 0.00 N ATOM 397 CA SER A 30 7.751 13.170 2.383 1.00 0.00 C ATOM 398 C SER A 30 8.514 12.945 3.685 1.00 0.00 C ATOM 399 O SER A 30 8.816 11.809 4.051 1.00 0.00 O ATOM 400 CB SER A 30 8.692 12.989 1.190 1.00 0.00 C ATOM 401 OG SER A 30 9.748 13.934 1.226 1.00 0.00 O ATOM 0 H SER A 30 7.376 15.047 1.526 1.00 0.00 H new ATOM 0 HA SER A 30 6.949 12.434 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.103 11.979 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.132 13.099 0.261 1.00 0.00 H new ATOM 0 HG SER A 30 10.336 13.797 0.454 1.00 0.00 H new ATOM 407 N SER A 31 8.821 14.035 4.380 1.00 0.00 N ATOM 408 CA SER A 31 9.552 13.958 5.639 1.00 0.00 C ATOM 409 C SER A 31 8.594 13.770 6.812 1.00 0.00 C ATOM 410 O SER A 31 8.838 12.955 7.702 1.00 0.00 O ATOM 411 CB SER A 31 10.387 15.223 5.847 1.00 0.00 C ATOM 412 OG SER A 31 11.600 15.159 5.117 1.00 0.00 O ATOM 0 H SER A 31 8.575 14.982 4.093 1.00 0.00 H new ATOM 0 HA SER A 31 10.217 13.096 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.815 16.096 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.603 15.349 6.908 1.00 0.00 H new ATOM 0 HG SER A 31 12.115 15.980 5.265 1.00 0.00 H new ATOM 418 N ASP A 32 7.504 14.529 6.805 1.00 0.00 N ATOM 419 CA ASP A 32 6.507 14.446 7.867 1.00 0.00 C ATOM 420 C ASP A 32 5.490 13.348 7.572 1.00 0.00 C ATOM 421 O ASP A 32 4.346 13.411 8.024 1.00 0.00 O ATOM 422 CB ASP A 32 5.794 15.789 8.032 1.00 0.00 C ATOM 423 CG ASP A 32 6.510 16.708 9.003 1.00 0.00 C ATOM 424 OD1 ASP A 32 6.282 16.575 10.224 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.297 17.560 8.541 1.00 0.00 O ATOM 0 H ASP A 32 7.288 15.209 6.076 1.00 0.00 H new ATOM 0 HA ASP A 32 7.021 14.200 8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.718 16.279 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.776 15.616 8.382 1.00 0.00 H new ATOM 430 N MET A 33 5.913 12.344 6.811 1.00 0.00 N ATOM 431 CA MET A 33 5.038 11.233 6.457 1.00 0.00 C ATOM 432 C MET A 33 5.408 9.978 7.242 1.00 0.00 C ATOM 433 O MET A 33 6.528 9.851 7.736 1.00 0.00 O ATOM 434 CB MET A 33 5.118 10.952 4.955 1.00 0.00 C ATOM 435 CG MET A 33 4.168 11.801 4.126 1.00 0.00 C ATOM 436 SD MET A 33 4.323 11.489 2.357 1.00 0.00 S ATOM 437 CE MET A 33 4.130 9.710 2.308 1.00 0.00 C ATOM 0 H MET A 33 6.856 12.277 6.428 1.00 0.00 H new ATOM 0 HA MET A 33 4.016 11.512 6.713 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.139 11.127 4.615 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.899 9.899 4.779 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.143 11.602 4.438 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.362 12.855 4.324 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.094 9.245 2.104 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.754 9.358 3.269 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.424 9.442 1.522 1.00 0.00 H new ATOM 447 N SER A 34 4.459 9.054 7.352 1.00 0.00 N ATOM 448 CA SER A 34 4.684 7.811 8.081 1.00 0.00 C ATOM 449 C SER A 34 3.691 6.738 7.645 1.00 0.00 C ATOM 450 O SER A 34 2.485 6.873 7.850 1.00 0.00 O ATOM 451 CB SER A 34 4.566 8.049 9.587 1.00 0.00 C ATOM 452 OG SER A 34 5.502 9.020 10.025 1.00 0.00 O ATOM 0 H SER A 34 3.527 9.142 6.946 1.00 0.00 H new ATOM 0 HA SER A 34 5.692 7.463 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.555 8.379 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.732 7.113 10.120 1.00 0.00 H new ATOM 0 HG SER A 34 6.194 9.140 9.341 1.00 0.00 H new ATOM 458 N ALA A 35 4.207 5.672 7.042 1.00 0.00 N ATOM 459 CA ALA A 35 3.367 4.575 6.578 1.00 0.00 C ATOM 460 C ALA A 35 3.745 3.266 7.264 1.00 0.00 C ATOM 461 O ALA A 35 4.891 3.077 7.672 1.00 0.00 O ATOM 462 CB ALA A 35 3.473 4.431 5.067 1.00 0.00 C ATOM 0 H ALA A 35 5.203 5.545 6.863 1.00 0.00 H new ATOM 0 HA ALA A 35 2.334 4.806 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.840 3.608 4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.147 5.355 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.508 4.227 4.793 1.00 0.00 H new ATOM 468 N HIS A 36 2.774 2.367 7.388 1.00 0.00 N ATOM 469 CA HIS A 36 3.006 1.075 8.025 1.00 0.00 C ATOM 470 C HIS A 36 2.128 -0.004 7.400 1.00 0.00 C ATOM 471 O HIS A 36 0.996 0.259 6.995 1.00 0.00 O ATOM 472 CB HIS A 36 2.730 1.167 9.527 1.00 0.00 C ATOM 473 CG HIS A 36 3.517 2.238 10.216 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.974 3.449 10.589 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.814 2.274 10.602 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.904 4.185 11.173 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.029 3.494 11.194 1.00 0.00 N ATOM 0 H HIS A 36 1.820 2.509 7.056 1.00 0.00 H new ATOM 0 HA HIS A 36 4.050 0.803 7.871 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.667 1.352 9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.957 0.206 9.989 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.544 1.489 10.469 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.767 5.182 11.566 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.914 3.815 11.586 1.00 0.00 H new ATOM 486 N VAL A 37 2.659 -1.221 7.323 1.00 0.00 N ATOM 487 CA VAL A 37 1.924 -2.341 6.746 1.00 0.00 C ATOM 488 C VAL A 37 1.460 -3.309 7.829 1.00 0.00 C ATOM 489 O VAL A 37 2.209 -4.189 8.253 1.00 0.00 O ATOM 490 CB VAL A 37 2.782 -3.106 5.721 1.00 0.00 C ATOM 491 CG1 VAL A 37 2.045 -4.340 5.224 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.162 -2.199 4.561 1.00 0.00 C ATOM 0 H VAL A 37 3.595 -1.456 7.653 1.00 0.00 H new ATOM 0 HA VAL A 37 1.054 -1.923 6.240 1.00 0.00 H new ATOM 0 HB VAL A 37 3.699 -3.432 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.666 -4.868 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.829 -4.998 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.111 -4.039 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.768 -2.756 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.258 -1.841 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.733 -1.349 4.935 1.00 0.00 H new ATOM 502 N THR A 38 0.218 -3.141 8.273 1.00 0.00 N ATOM 503 CA THR A 38 -0.346 -3.999 9.306 1.00 0.00 C ATOM 504 C THR A 38 -0.801 -5.333 8.726 1.00 0.00 C ATOM 505 O THR A 38 -1.222 -5.407 7.572 1.00 0.00 O ATOM 506 CB THR A 38 -1.541 -3.323 10.006 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.160 -2.028 10.484 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.038 -4.171 11.167 1.00 0.00 C ATOM 0 H THR A 38 -0.416 -2.418 7.933 1.00 0.00 H new ATOM 0 HA THR A 38 0.444 -4.174 10.037 1.00 0.00 H new ATOM 0 HB THR A 38 -2.348 -3.219 9.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.925 -1.604 10.926 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.882 -3.674 11.646 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.354 -5.146 10.796 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.235 -4.302 11.892 1.00 0.00 H new ATOM 516 N SER A 39 -0.712 -6.385 9.533 1.00 0.00 N ATOM 517 CA SER A 39 -1.112 -7.718 9.098 1.00 0.00 C ATOM 518 C SER A 39 -2.331 -8.202 9.877 1.00 0.00 C ATOM 519 O SER A 39 -2.572 -7.798 11.015 1.00 0.00 O ATOM 520 CB SER A 39 0.045 -8.704 9.275 1.00 0.00 C ATOM 521 OG SER A 39 0.034 -9.275 10.572 1.00 0.00 O ATOM 0 H SER A 39 -0.366 -6.340 10.492 1.00 0.00 H new ATOM 0 HA SER A 39 -1.376 -7.664 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.027 -9.493 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.992 -8.192 9.108 1.00 0.00 H new ATOM 0 HG SER A 39 0.035 -10.252 10.499 1.00 0.00 H new ATOM 527 N PRO A 40 -3.118 -9.089 9.251 1.00 0.00 N ATOM 528 CA PRO A 40 -4.326 -9.648 9.867 1.00 0.00 C ATOM 529 C PRO A 40 -4.004 -10.597 11.016 1.00 0.00 C ATOM 530 O PRO A 40 -4.904 -11.107 11.684 1.00 0.00 O ATOM 531 CB PRO A 40 -4.991 -10.408 8.717 1.00 0.00 C ATOM 532 CG PRO A 40 -3.874 -10.747 7.791 1.00 0.00 C ATOM 533 CD PRO A 40 -2.891 -9.615 7.895 1.00 0.00 C ATOM 0 HA PRO A 40 -4.956 -8.874 10.305 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.495 -11.306 9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.744 -9.796 8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.410 -11.693 8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.235 -10.858 6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.865 -9.960 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.071 -8.856 7.134 1.00 0.00 H new ATOM 541 N SER A 41 -2.715 -10.830 11.242 1.00 0.00 N ATOM 542 CA SER A 41 -2.275 -11.721 12.309 1.00 0.00 C ATOM 543 C SER A 41 -1.860 -10.927 13.544 1.00 0.00 C ATOM 544 O SER A 41 -1.723 -11.479 14.634 1.00 0.00 O ATOM 545 CB SER A 41 -1.108 -12.587 11.831 1.00 0.00 C ATOM 546 OG SER A 41 0.030 -11.795 11.539 1.00 0.00 O ATOM 0 H SER A 41 -1.957 -10.414 10.700 1.00 0.00 H new ATOM 0 HA SER A 41 -3.112 -12.366 12.577 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.857 -13.320 12.598 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.405 -13.144 10.942 1.00 0.00 H new ATOM 0 HG SER A 41 0.762 -12.373 11.237 1.00 0.00 H new ATOM 552 N GLY A 42 -1.662 -9.624 13.363 1.00 0.00 N ATOM 553 CA GLY A 42 -1.264 -8.774 14.469 1.00 0.00 C ATOM 554 C GLY A 42 0.158 -8.268 14.331 1.00 0.00 C ATOM 555 O GLY A 42 0.810 -7.949 15.325 1.00 0.00 O ATOM 0 H GLY A 42 -1.770 -9.143 12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.944 -7.924 14.533 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.360 -9.329 15.402 1.00 0.00 H new ATOM 559 N ARG A 43 0.641 -8.197 13.094 1.00 0.00 N ATOM 560 CA ARG A 43 1.996 -7.730 12.829 1.00 0.00 C ATOM 561 C ARG A 43 1.982 -6.513 11.908 1.00 0.00 C ATOM 562 O ARG A 43 1.370 -6.537 10.840 1.00 0.00 O ATOM 563 CB ARG A 43 2.830 -8.848 12.202 1.00 0.00 C ATOM 564 CG ARG A 43 4.330 -8.642 12.342 1.00 0.00 C ATOM 565 CD ARG A 43 5.095 -9.336 11.227 1.00 0.00 C ATOM 566 NE ARG A 43 5.312 -10.752 11.511 1.00 0.00 N ATOM 567 CZ ARG A 43 5.655 -11.643 10.587 1.00 0.00 C ATOM 568 NH1 ARG A 43 5.820 -11.266 9.327 1.00 0.00 N ATOM 569 NH2 ARG A 43 5.835 -12.914 10.924 1.00 0.00 N ATOM 0 H ARG A 43 0.114 -8.457 12.260 1.00 0.00 H new ATOM 0 HA ARG A 43 2.445 -7.440 13.779 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.557 -9.796 12.665 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.580 -8.926 11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.554 -7.575 12.329 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.662 -9.026 13.306 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.544 -9.234 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.057 -8.843 11.086 1.00 0.00 H new ATOM 0 HE ARG A 43 5.194 -11.075 12.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.684 -10.290 9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.083 -11.952 8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.710 -13.207 11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.098 -13.597 10.214 1.00 0.00 H new ATOM 583 N VAL A 44 2.659 -5.450 12.330 1.00 0.00 N ATOM 584 CA VAL A 44 2.725 -4.224 11.543 1.00 0.00 C ATOM 585 C VAL A 44 4.162 -3.732 11.412 1.00 0.00 C ATOM 586 O VAL A 44 4.915 -3.712 12.386 1.00 0.00 O ATOM 587 CB VAL A 44 1.867 -3.109 12.169 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.180 -2.962 13.650 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.087 -1.794 11.437 1.00 0.00 C ATOM 0 H VAL A 44 3.170 -5.413 13.212 1.00 0.00 H new ATOM 0 HA VAL A 44 2.334 -4.461 10.554 1.00 0.00 H new ATOM 0 HB VAL A 44 0.817 -3.383 12.069 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.564 -2.169 14.075 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.968 -3.901 14.162 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.233 -2.710 13.776 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.473 -1.017 11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.138 -1.512 11.504 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.808 -1.910 10.390 1.00 0.00 H new ATOM 599 N THR A 45 4.537 -3.334 10.200 1.00 0.00 N ATOM 600 CA THR A 45 5.884 -2.842 9.940 1.00 0.00 C ATOM 601 C THR A 45 5.853 -1.429 9.370 1.00 0.00 C ATOM 602 O THR A 45 4.792 -0.813 9.274 1.00 0.00 O ATOM 603 CB THR A 45 6.639 -3.762 8.961 1.00 0.00 C ATOM 604 OG1 THR A 45 7.924 -3.206 8.660 1.00 0.00 O ATOM 605 CG2 THR A 45 5.848 -3.949 7.676 1.00 0.00 C ATOM 0 H THR A 45 3.926 -3.343 9.383 1.00 0.00 H new ATOM 0 HA THR A 45 6.407 -2.834 10.896 1.00 0.00 H new ATOM 0 HB THR A 45 6.766 -4.735 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.399 -3.797 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.401 -4.602 7.000 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.882 -4.398 7.906 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.694 -2.981 7.200 1.00 0.00 H new ATOM 613 N GLU A 46 7.022 -0.922 8.993 1.00 0.00 N ATOM 614 CA GLU A 46 7.127 0.420 8.432 1.00 0.00 C ATOM 615 C GLU A 46 7.338 0.364 6.922 1.00 0.00 C ATOM 616 O GLU A 46 8.253 -0.300 6.437 1.00 0.00 O ATOM 617 CB GLU A 46 8.278 1.184 9.091 1.00 0.00 C ATOM 618 CG GLU A 46 8.224 2.685 8.859 1.00 0.00 C ATOM 619 CD GLU A 46 9.590 3.337 8.941 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.416 3.104 8.035 1.00 0.00 O ATOM 621 OE2 GLU A 46 9.833 4.082 9.914 1.00 0.00 O ATOM 0 H GLU A 46 7.909 -1.420 9.066 1.00 0.00 H new ATOM 0 HA GLU A 46 6.192 0.943 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.265 0.990 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.224 0.800 8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.790 2.882 7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.564 3.140 9.597 1.00 0.00 H new ATOM 628 N ALA A 47 6.484 1.066 6.184 1.00 0.00 N ATOM 629 CA ALA A 47 6.577 1.098 4.730 1.00 0.00 C ATOM 630 C ALA A 47 7.564 2.164 4.266 1.00 0.00 C ATOM 631 O ALA A 47 7.741 3.187 4.926 1.00 0.00 O ATOM 632 CB ALA A 47 5.206 1.344 4.119 1.00 0.00 C ATOM 0 H ALA A 47 5.720 1.620 6.570 1.00 0.00 H new ATOM 0 HA ALA A 47 6.944 0.129 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.290 1.365 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.527 0.544 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.817 2.299 4.472 1.00 0.00 H new ATOM 638 N GLU A 48 8.204 1.916 3.128 1.00 0.00 N ATOM 639 CA GLU A 48 9.174 2.855 2.578 1.00 0.00 C ATOM 640 C GLU A 48 8.485 3.906 1.712 1.00 0.00 C ATOM 641 O GLU A 48 7.504 3.614 1.027 1.00 0.00 O ATOM 642 CB GLU A 48 10.227 2.111 1.753 1.00 0.00 C ATOM 643 CG GLU A 48 11.284 3.021 1.151 1.00 0.00 C ATOM 644 CD GLU A 48 12.296 3.497 2.174 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.726 2.674 3.010 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.658 4.692 2.141 1.00 0.00 O ATOM 0 H GLU A 48 8.068 1.073 2.569 1.00 0.00 H new ATOM 0 HA GLU A 48 9.664 3.359 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.715 1.370 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.729 1.566 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.803 2.490 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.798 3.885 0.697 1.00 0.00 H new ATOM 653 N ILE A 49 9.003 5.128 1.751 1.00 0.00 N ATOM 654 CA ILE A 49 8.438 6.222 0.970 1.00 0.00 C ATOM 655 C ILE A 49 9.441 6.742 -0.054 1.00 0.00 C ATOM 656 O ILE A 49 10.314 7.549 0.270 1.00 0.00 O ATOM 657 CB ILE A 49 7.993 7.387 1.874 1.00 0.00 C ATOM 658 CG1 ILE A 49 7.091 6.874 2.998 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.276 8.449 1.054 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.885 7.875 4.113 1.00 0.00 C ATOM 0 H ILE A 49 9.813 5.386 2.315 1.00 0.00 H new ATOM 0 HA ILE A 49 7.567 5.822 0.451 1.00 0.00 H new ATOM 0 HB ILE A 49 8.878 7.838 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.121 6.604 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.524 5.964 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.968 9.266 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.949 8.832 0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.397 8.011 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.235 7.443 4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.848 8.127 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.423 8.777 3.711 1.00 0.00 H new ATOM 672 N VAL A 50 9.310 6.277 -1.292 1.00 0.00 N ATOM 673 CA VAL A 50 10.203 6.697 -2.365 1.00 0.00 C ATOM 674 C VAL A 50 9.677 7.949 -3.059 1.00 0.00 C ATOM 675 O VAL A 50 8.518 8.022 -3.468 1.00 0.00 O ATOM 676 CB VAL A 50 10.386 5.582 -3.412 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.296 6.050 -4.537 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.936 4.324 -2.758 1.00 0.00 C ATOM 0 H VAL A 50 8.594 5.609 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 50 11.167 6.917 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 50 9.412 5.345 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.414 5.249 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.856 6.921 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.271 6.315 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.059 3.546 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.901 4.543 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.242 3.979 -1.991 1.00 0.00 H new ATOM 688 N PRO A 51 10.548 8.959 -3.197 1.00 0.00 N ATOM 689 CA PRO A 51 10.195 10.227 -3.842 1.00 0.00 C ATOM 690 C PRO A 51 9.985 10.073 -5.345 1.00 0.00 C ATOM 691 O PRO A 51 10.944 10.053 -6.116 1.00 0.00 O ATOM 692 CB PRO A 51 11.406 11.119 -3.560 1.00 0.00 C ATOM 693 CG PRO A 51 12.539 10.170 -3.367 1.00 0.00 C ATOM 694 CD PRO A 51 11.946 8.942 -2.733 1.00 0.00 C ATOM 0 HA PRO A 51 9.256 10.629 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.597 11.801 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.248 11.732 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.012 9.928 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.309 10.605 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.463 8.037 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.009 8.981 -1.646 1.00 0.00 H new ATOM 702 N MET A 52 8.725 9.967 -5.754 1.00 0.00 N ATOM 703 CA MET A 52 8.390 9.817 -7.165 1.00 0.00 C ATOM 704 C MET A 52 8.380 11.171 -7.868 1.00 0.00 C ATOM 705 O MET A 52 8.489 11.247 -9.091 1.00 0.00 O ATOM 706 CB MET A 52 7.027 9.139 -7.319 1.00 0.00 C ATOM 707 CG MET A 52 7.018 7.685 -6.877 1.00 0.00 C ATOM 708 SD MET A 52 5.831 6.686 -7.796 1.00 0.00 S ATOM 709 CE MET A 52 4.297 7.507 -7.370 1.00 0.00 C ATOM 0 H MET A 52 7.919 9.982 -5.128 1.00 0.00 H new ATOM 0 HA MET A 52 9.153 9.192 -7.629 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.288 9.691 -6.738 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.719 9.195 -8.363 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.016 7.265 -7.004 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.783 7.634 -5.814 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.457 6.933 -7.760 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.213 7.582 -6.286 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.287 8.507 -7.804 1.00 0.00 H new ATOM 719 N GLY A 53 8.247 12.238 -7.086 1.00 0.00 N ATOM 720 CA GLY A 53 8.225 13.574 -7.652 1.00 0.00 C ATOM 721 C GLY A 53 8.302 14.654 -6.592 1.00 0.00 C ATOM 722 O GLY A 53 9.105 14.567 -5.663 1.00 0.00 O ATOM 0 H GLY A 53 8.154 12.201 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.061 13.687 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.312 13.704 -8.233 1.00 0.00 H new ATOM 726 N LYS A 54 7.466 15.678 -6.730 1.00 0.00 N ATOM 727 CA LYS A 54 7.442 16.781 -5.777 1.00 0.00 C ATOM 728 C LYS A 54 6.600 16.426 -4.555 1.00 0.00 C ATOM 729 O LYS A 54 7.102 16.393 -3.432 1.00 0.00 O ATOM 730 CB LYS A 54 6.889 18.044 -6.441 1.00 0.00 C ATOM 731 CG LYS A 54 7.936 18.838 -7.202 1.00 0.00 C ATOM 732 CD LYS A 54 8.776 19.693 -6.268 1.00 0.00 C ATOM 733 CE LYS A 54 9.755 20.565 -7.039 1.00 0.00 C ATOM 734 NZ LYS A 54 10.863 19.765 -7.631 1.00 0.00 N ATOM 0 H LYS A 54 6.796 15.767 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 54 8.465 16.968 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.089 17.764 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.446 18.682 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.583 18.155 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.446 19.475 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.123 20.323 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.324 19.050 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.225 21.093 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.169 21.322 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.518 20.398 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.375 19.267 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.471 19.071 -8.299 1.00 0.00 H new ATOM 748 N ASN A 55 5.318 16.161 -4.783 1.00 0.00 N ATOM 749 CA ASN A 55 4.406 15.807 -3.700 1.00 0.00 C ATOM 750 C ASN A 55 3.857 14.397 -3.890 1.00 0.00 C ATOM 751 O ASN A 55 2.764 14.077 -3.422 1.00 0.00 O ATOM 752 CB ASN A 55 3.253 16.811 -3.628 1.00 0.00 C ATOM 753 CG ASN A 55 3.700 18.228 -3.930 1.00 0.00 C ATOM 754 OD1 ASN A 55 3.352 18.793 -4.967 1.00 0.00 O ATOM 755 ND2 ASN A 55 4.476 18.809 -3.022 1.00 0.00 N ATOM 0 H ASN A 55 4.887 16.184 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 55 4.964 15.837 -2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.476 16.520 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.807 16.778 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.809 19.762 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.739 18.302 -2.177 1.00 0.00 H new ATOM 762 N SER A 56 4.623 13.557 -4.579 1.00 0.00 N ATOM 763 CA SER A 56 4.212 12.181 -4.834 1.00 0.00 C ATOM 764 C SER A 56 4.982 11.211 -3.943 1.00 0.00 C ATOM 765 O SER A 56 6.189 11.354 -3.747 1.00 0.00 O ATOM 766 CB SER A 56 4.432 11.825 -6.305 1.00 0.00 C ATOM 767 OG SER A 56 3.452 12.433 -7.129 1.00 0.00 O ATOM 0 H SER A 56 5.532 13.805 -4.971 1.00 0.00 H new ATOM 0 HA SER A 56 3.150 12.096 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.425 12.149 -6.616 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.396 10.743 -6.430 1.00 0.00 H new ATOM 0 HG SER A 56 3.616 12.191 -8.065 1.00 0.00 H new ATOM 773 N HIS A 57 4.274 10.222 -3.406 1.00 0.00 N ATOM 774 CA HIS A 57 4.890 9.226 -2.536 1.00 0.00 C ATOM 775 C HIS A 57 4.504 7.815 -2.968 1.00 0.00 C ATOM 776 O HIS A 57 3.353 7.556 -3.324 1.00 0.00 O ATOM 777 CB HIS A 57 4.472 9.459 -1.084 1.00 0.00 C ATOM 778 CG HIS A 57 4.447 10.904 -0.692 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.587 11.629 -0.415 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.410 11.760 -0.534 1.00 0.00 C ATOM 781 CE1 HIS A 57 5.252 12.868 -0.101 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.937 12.974 -0.166 1.00 0.00 N ATOM 0 H HIS A 57 3.274 10.089 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 57 5.972 9.329 -2.616 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.482 9.031 -0.927 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.158 8.925 -0.427 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.364 11.531 -0.672 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.937 13.660 0.164 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.400 13.820 0.026 1.00 0.00 H new ATOM 791 N CYS A 58 5.473 6.906 -2.937 1.00 0.00 N ATOM 792 CA CYS A 58 5.235 5.521 -3.327 1.00 0.00 C ATOM 793 C CYS A 58 5.529 4.572 -2.170 1.00 0.00 C ATOM 794 O CYS A 58 6.651 4.520 -1.665 1.00 0.00 O ATOM 795 CB CYS A 58 6.099 5.155 -4.535 1.00 0.00 C ATOM 796 SG CYS A 58 5.801 3.491 -5.178 1.00 0.00 S ATOM 0 H CYS A 58 6.430 7.104 -2.646 1.00 0.00 H new ATOM 0 HA CYS A 58 4.184 5.420 -3.597 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.918 5.878 -5.330 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.149 5.243 -4.257 1.00 0.00 H new ATOM 0 HG CYS A 58 6.576 3.275 -6.199 1.00 0.00 H new ATOM 802 N VAL A 59 4.513 3.824 -1.753 1.00 0.00 N ATOM 803 CA VAL A 59 4.662 2.877 -0.654 1.00 0.00 C ATOM 804 C VAL A 59 4.994 1.482 -1.172 1.00 0.00 C ATOM 805 O VAL A 59 4.112 0.748 -1.619 1.00 0.00 O ATOM 806 CB VAL A 59 3.383 2.804 0.201 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.579 1.857 1.376 1.00 0.00 C ATOM 808 CG2 VAL A 59 2.985 4.190 0.684 1.00 0.00 C ATOM 0 H VAL A 59 3.578 3.855 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 59 5.484 3.237 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 59 2.575 2.414 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.665 1.818 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.813 0.859 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.400 2.214 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.079 4.119 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.790 4.610 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.800 4.835 -0.175 1.00 0.00 H new ATOM 818 N ARG A 60 6.272 1.122 -1.109 1.00 0.00 N ATOM 819 CA ARG A 60 6.721 -0.186 -1.572 1.00 0.00 C ATOM 820 C ARG A 60 6.775 -1.183 -0.418 1.00 0.00 C ATOM 821 O ARG A 60 7.458 -0.956 0.581 1.00 0.00 O ATOM 822 CB ARG A 60 8.099 -0.072 -2.227 1.00 0.00 C ATOM 823 CG ARG A 60 8.892 -1.369 -2.206 1.00 0.00 C ATOM 824 CD ARG A 60 10.276 -1.185 -2.808 1.00 0.00 C ATOM 825 NE ARG A 60 11.141 -2.333 -2.550 1.00 0.00 N ATOM 826 CZ ARG A 60 12.359 -2.466 -3.065 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.852 -1.527 -3.860 1.00 0.00 N ATOM 828 NH2 ARG A 60 13.086 -3.539 -2.784 1.00 0.00 N ATOM 0 H ARG A 60 7.014 1.717 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 60 6.004 -0.549 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.975 0.252 -3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.672 0.703 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.985 -1.724 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.352 -2.136 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.186 -1.033 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.734 -0.286 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 60 10.791 -3.073 -1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.296 -0.700 -4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.787 -1.632 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.711 -4.263 -2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.021 -3.640 -3.180 1.00 0.00 H new ATOM 842 N PHE A 61 6.050 -2.287 -0.563 1.00 0.00 N ATOM 843 CA PHE A 61 6.013 -3.318 0.468 1.00 0.00 C ATOM 844 C PHE A 61 5.666 -4.677 -0.134 1.00 0.00 C ATOM 845 O PHE A 61 5.193 -4.763 -1.267 1.00 0.00 O ATOM 846 CB PHE A 61 4.996 -2.952 1.550 1.00 0.00 C ATOM 847 CG PHE A 61 3.629 -2.645 1.008 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.710 -3.659 0.793 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.263 -1.341 0.714 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.451 -3.380 0.295 1.00 0.00 C ATOM 851 CE2 PHE A 61 2.006 -1.056 0.216 1.00 0.00 C ATOM 852 CZ PHE A 61 1.099 -2.077 0.005 1.00 0.00 C ATOM 0 H PHE A 61 5.480 -2.491 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 61 7.004 -3.382 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.920 -3.776 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.361 -2.087 2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.981 -4.680 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.968 -0.539 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.744 -4.180 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.732 -0.036 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.117 -1.856 -0.386 1.00 0.00 H new ATOM 862 N VAL A 62 5.905 -5.736 0.633 1.00 0.00 N ATOM 863 CA VAL A 62 5.617 -7.090 0.177 1.00 0.00 C ATOM 864 C VAL A 62 4.485 -7.713 0.985 1.00 0.00 C ATOM 865 O VAL A 62 4.651 -8.088 2.146 1.00 0.00 O ATOM 866 CB VAL A 62 6.862 -7.992 0.278 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.554 -9.387 -0.245 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.029 -7.376 -0.479 1.00 0.00 C ATOM 0 H VAL A 62 6.297 -5.682 1.573 1.00 0.00 H new ATOM 0 HA VAL A 62 5.315 -7.015 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 62 7.144 -8.077 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.445 -10.010 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.750 -9.827 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.246 -9.325 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.900 -8.026 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.761 -7.260 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.264 -6.400 -0.054 1.00 0.00 H new ATOM 878 N PRO A 63 3.304 -7.828 0.359 1.00 0.00 N ATOM 879 CA PRO A 63 2.120 -8.407 1.001 1.00 0.00 C ATOM 880 C PRO A 63 2.258 -9.909 1.225 1.00 0.00 C ATOM 881 O PRO A 63 3.160 -10.546 0.680 1.00 0.00 O ATOM 882 CB PRO A 63 0.997 -8.116 0.002 1.00 0.00 C ATOM 883 CG PRO A 63 1.684 -7.995 -1.315 1.00 0.00 C ATOM 884 CD PRO A 63 3.035 -7.402 -1.025 1.00 0.00 C ATOM 0 HA PRO A 63 1.947 -7.987 1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.259 -8.918 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.467 -7.198 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.780 -8.969 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.116 -7.359 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.793 -7.773 -1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.025 -6.316 -1.117 1.00 0.00 H new ATOM 892 N GLN A 64 1.359 -10.468 2.028 1.00 0.00 N ATOM 893 CA GLN A 64 1.382 -11.895 2.324 1.00 0.00 C ATOM 894 C GLN A 64 0.384 -12.648 1.450 1.00 0.00 C ATOM 895 O GLN A 64 -0.399 -12.040 0.721 1.00 0.00 O ATOM 896 CB GLN A 64 1.068 -12.137 3.801 1.00 0.00 C ATOM 897 CG GLN A 64 2.244 -11.866 4.725 1.00 0.00 C ATOM 898 CD GLN A 64 3.515 -12.555 4.271 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.817 -13.670 4.697 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.268 -11.894 3.400 1.00 0.00 N ATOM 0 H GLN A 64 0.606 -9.954 2.485 1.00 0.00 H new ATOM 0 HA GLN A 64 2.383 -12.269 2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.232 -11.502 4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.745 -13.170 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.418 -10.791 4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.994 -12.200 5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.980 -10.972 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.135 -12.308 3.058 1.00 0.00 H new ATOM 909 N GLU A 65 0.419 -13.975 1.528 1.00 0.00 N ATOM 910 CA GLU A 65 -0.482 -14.810 0.742 1.00 0.00 C ATOM 911 C GLU A 65 -1.849 -14.915 1.412 1.00 0.00 C ATOM 912 O GLU A 65 -1.947 -15.223 2.600 1.00 0.00 O ATOM 913 CB GLU A 65 0.115 -16.206 0.554 1.00 0.00 C ATOM 914 CG GLU A 65 0.492 -16.888 1.858 1.00 0.00 C ATOM 915 CD GLU A 65 1.910 -16.573 2.293 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.842 -16.810 1.496 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.087 -16.089 3.431 1.00 0.00 O ATOM 0 H GLU A 65 1.061 -14.494 2.127 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.610 -14.343 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.603 -16.830 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.001 -16.131 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.201 -16.577 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.382 -17.966 1.745 1.00 0.00 H new ATOM 924 N MET A 66 -2.900 -14.657 0.642 1.00 0.00 N ATOM 925 CA MET A 66 -4.262 -14.723 1.160 1.00 0.00 C ATOM 926 C MET A 66 -4.372 -13.989 2.493 1.00 0.00 C ATOM 927 O MET A 66 -4.935 -14.510 3.455 1.00 0.00 O ATOM 928 CB MET A 66 -4.695 -16.181 1.330 1.00 0.00 C ATOM 929 CG MET A 66 -4.838 -16.929 0.015 1.00 0.00 C ATOM 930 SD MET A 66 -3.290 -17.676 -0.530 1.00 0.00 S ATOM 931 CE MET A 66 -2.938 -16.698 -1.989 1.00 0.00 C ATOM 0 H MET A 66 -2.835 -14.400 -0.343 1.00 0.00 H new ATOM 0 HA MET A 66 -4.922 -14.237 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.966 -16.697 1.955 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.647 -16.209 1.860 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.594 -17.707 0.124 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.196 -16.242 -0.752 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.861 -16.559 -2.083 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.315 -17.213 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.423 -15.726 -1.901 1.00 0.00 H new ATOM 941 N GLY A 67 -3.831 -12.776 2.542 1.00 0.00 N ATOM 942 CA GLY A 67 -3.879 -11.991 3.762 1.00 0.00 C ATOM 943 C GLY A 67 -4.268 -10.548 3.507 1.00 0.00 C ATOM 944 O GLY A 67 -3.751 -9.911 2.589 1.00 0.00 O ATOM 0 H GLY A 67 -3.360 -12.323 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.593 -12.440 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.904 -12.021 4.248 1.00 0.00 H new ATOM 948 N VAL A 68 -5.183 -10.030 4.321 1.00 0.00 N ATOM 949 CA VAL A 68 -5.641 -8.654 4.179 1.00 0.00 C ATOM 950 C VAL A 68 -4.849 -7.715 5.083 1.00 0.00 C ATOM 951 O VAL A 68 -4.889 -7.835 6.308 1.00 0.00 O ATOM 952 CB VAL A 68 -7.140 -8.524 4.510 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.586 -7.074 4.407 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.966 -9.412 3.592 1.00 0.00 C ATOM 0 H VAL A 68 -5.621 -10.543 5.086 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.481 -8.373 3.138 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.298 -8.855 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.647 -7.002 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.015 -6.467 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.416 -6.712 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.022 -9.308 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.805 -9.114 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.663 -10.451 3.722 1.00 0.00 H new ATOM 964 N HIS A 69 -4.130 -6.779 4.471 1.00 0.00 N ATOM 965 CA HIS A 69 -3.329 -5.818 5.221 1.00 0.00 C ATOM 966 C HIS A 69 -3.971 -4.434 5.189 1.00 0.00 C ATOM 967 O HIS A 69 -4.880 -4.177 4.398 1.00 0.00 O ATOM 968 CB HIS A 69 -1.912 -5.749 4.651 1.00 0.00 C ATOM 969 CG HIS A 69 -1.299 -7.094 4.406 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.893 -8.060 3.622 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.137 -7.631 4.847 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.123 -9.133 3.591 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.051 -8.898 4.326 1.00 0.00 N ATOM 0 H HIS A 69 -4.086 -6.666 3.458 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.280 -6.153 6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.933 -5.192 3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.279 -5.190 5.340 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.587 -7.152 5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.334 -10.047 3.056 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.716 -9.552 4.481 1.00 0.00 H new ATOM 982 N THR A 70 -3.492 -3.545 6.054 1.00 0.00 N ATOM 983 CA THR A 70 -4.020 -2.189 6.126 1.00 0.00 C ATOM 984 C THR A 70 -2.894 -1.162 6.154 1.00 0.00 C ATOM 985 O THR A 70 -2.037 -1.189 7.038 1.00 0.00 O ATOM 986 CB THR A 70 -4.906 -1.996 7.371 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.740 -3.145 7.561 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.772 -0.753 7.232 1.00 0.00 C ATOM 0 H THR A 70 -2.739 -3.740 6.714 1.00 0.00 H new ATOM 0 HA THR A 70 -4.625 -2.038 5.232 1.00 0.00 H new ATOM 0 HB THR A 70 -4.256 -1.871 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.299 -3.016 8.355 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.389 -0.638 8.123 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.134 0.123 7.116 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.414 -0.853 6.357 1.00 0.00 H new ATOM 996 N VAL A 71 -2.901 -0.255 5.182 1.00 0.00 N ATOM 997 CA VAL A 71 -1.881 0.783 5.097 1.00 0.00 C ATOM 998 C VAL A 71 -2.279 2.012 5.905 1.00 0.00 C ATOM 999 O VAL A 71 -3.194 2.745 5.530 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.627 1.202 3.636 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.502 2.223 3.561 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.312 -0.015 2.780 1.00 0.00 C ATOM 0 H VAL A 71 -3.602 -0.218 4.442 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.965 0.361 5.511 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.533 1.666 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.337 2.507 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.773 3.106 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.411 1.789 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.135 0.299 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.421 -0.511 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.153 -0.707 2.808 1.00 0.00 H new ATOM 1012 N SER A 72 -1.584 2.233 7.017 1.00 0.00 N ATOM 1013 CA SER A 72 -1.867 3.373 7.881 1.00 0.00 C ATOM 1014 C SER A 72 -0.895 4.517 7.607 1.00 0.00 C ATOM 1015 O SER A 72 0.316 4.369 7.766 1.00 0.00 O ATOM 1016 CB SER A 72 -1.783 2.958 9.351 1.00 0.00 C ATOM 1017 OG SER A 72 -2.740 1.959 9.655 1.00 0.00 O ATOM 0 H SER A 72 -0.821 1.638 7.340 1.00 0.00 H new ATOM 0 HA SER A 72 -2.878 3.719 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.782 2.586 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.946 3.828 9.987 1.00 0.00 H new ATOM 0 HG SER A 72 -2.664 1.710 10.600 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.437 5.659 7.195 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.619 6.829 6.899 1.00 0.00 C ATOM 1025 C VAL A 73 -1.146 8.064 7.622 1.00 0.00 C ATOM 1026 O VAL A 73 -2.099 8.701 7.173 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.573 7.115 5.386 1.00 0.00 C ATOM 1028 CG1 VAL A 73 0.360 8.279 5.090 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.145 5.870 4.623 1.00 0.00 C ATOM 0 H VAL A 73 -2.438 5.799 7.059 1.00 0.00 H new ATOM 0 HA VAL A 73 0.389 6.607 7.250 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.574 7.391 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.379 8.466 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.005 9.170 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.365 8.036 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.118 6.089 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.846 5.562 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.857 5.066 4.810 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.519 8.397 8.745 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.922 9.557 9.531 1.00 0.00 C ATOM 1041 C LYS A 74 0.067 10.705 9.353 1.00 0.00 C ATOM 1042 O LYS A 74 1.197 10.501 8.911 1.00 0.00 O ATOM 1043 CB LYS A 74 -1.025 9.185 11.012 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.380 8.621 11.404 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.635 8.769 12.895 1.00 0.00 C ATOM 1046 CE LYS A 74 -1.430 8.331 13.713 1.00 0.00 C ATOM 1047 NZ LYS A 74 -1.753 8.226 15.163 1.00 0.00 N ATOM 0 H LYS A 74 0.271 7.880 9.131 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.899 9.883 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.253 8.452 11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.820 10.069 11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.164 9.134 10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.430 7.568 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.873 9.808 13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.503 8.174 13.177 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.075 7.367 13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.617 9.044 13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.906 7.925 15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.068 9.152 15.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.511 7.527 15.300 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.366 11.912 9.702 1.00 0.00 N ATOM 1062 CA TYR A 75 0.481 13.093 9.579 1.00 0.00 C ATOM 1063 C TYR A 75 0.382 13.965 10.827 1.00 0.00 C ATOM 1064 O TYR A 75 -0.633 14.621 11.061 1.00 0.00 O ATOM 1065 CB TYR A 75 0.086 13.903 8.344 1.00 0.00 C ATOM 1066 CG TYR A 75 1.033 15.042 8.038 1.00 0.00 C ATOM 1067 CD1 TYR A 75 0.850 16.296 8.607 1.00 0.00 C ATOM 1068 CD2 TYR A 75 2.112 14.862 7.181 1.00 0.00 C ATOM 1069 CE1 TYR A 75 1.713 17.338 8.330 1.00 0.00 C ATOM 1070 CE2 TYR A 75 2.981 15.899 6.900 1.00 0.00 C ATOM 1071 CZ TYR A 75 2.776 17.135 7.476 1.00 0.00 C ATOM 1072 OH TYR A 75 3.639 18.171 7.198 1.00 0.00 O ATOM 0 H TYR A 75 -1.298 12.098 10.072 1.00 0.00 H new ATOM 0 HA TYR A 75 1.513 12.760 9.471 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.042 13.237 7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.917 14.304 8.489 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.019 16.459 9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.274 13.896 6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.556 18.307 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.816 15.742 6.233 1.00 0.00 H new ATOM 0 HH TYR A 75 3.684 18.775 7.968 1.00 0.00 H new ATOM 1082 N ARG A 76 1.446 13.968 11.624 1.00 0.00 N ATOM 1083 CA ARG A 76 1.480 14.759 12.848 1.00 0.00 C ATOM 1084 C ARG A 76 0.330 14.377 13.775 1.00 0.00 C ATOM 1085 O ARG A 76 -0.118 15.183 14.589 1.00 0.00 O ATOM 1086 CB ARG A 76 1.410 16.251 12.519 1.00 0.00 C ATOM 1087 CG ARG A 76 2.765 16.876 12.230 1.00 0.00 C ATOM 1088 CD ARG A 76 2.645 18.368 11.961 1.00 0.00 C ATOM 1089 NE ARG A 76 3.947 19.030 11.959 1.00 0.00 N ATOM 1090 CZ ARG A 76 4.619 19.332 13.064 1.00 0.00 C ATOM 1091 NH1 ARG A 76 4.116 19.032 14.253 1.00 0.00 N ATOM 1092 NH2 ARG A 76 5.799 19.935 12.980 1.00 0.00 N ATOM 0 H ARG A 76 2.295 13.432 11.444 1.00 0.00 H new ATOM 0 HA ARG A 76 2.420 14.550 13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.762 16.394 11.654 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.948 16.777 13.354 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.431 16.710 13.077 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.217 16.385 11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.157 18.525 10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.008 18.823 12.719 1.00 0.00 H new ATOM 0 HE ARG A 76 4.363 19.274 11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.210 18.568 14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.635 19.265 15.100 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.190 20.166 12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.315 20.167 13.829 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.143 13.141 13.645 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.237 12.674 14.476 1.00 0.00 C ATOM 1108 C GLY A 77 -2.592 12.909 13.837 1.00 0.00 C ATOM 1109 O GLY A 77 -3.585 13.116 14.534 1.00 0.00 O ATOM 0 H GLY A 77 0.212 12.455 12.979 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.111 11.609 14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.200 13.182 15.439 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.631 12.878 12.509 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.874 13.092 11.777 1.00 0.00 C ATOM 1115 C GLN A 78 -3.940 12.199 10.543 1.00 0.00 C ATOM 1116 O GLN A 78 -3.103 12.301 9.645 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.003 14.560 11.367 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.196 15.505 12.541 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.304 16.955 12.111 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -3.435 17.473 11.409 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -5.375 17.619 12.531 1.00 0.00 N ATOM 0 H GLN A 78 -1.817 12.707 11.918 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.703 12.832 12.435 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.109 14.855 10.817 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.846 14.665 10.684 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.097 15.223 13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.360 15.396 13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.071 17.150 13.111 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.502 18.598 12.273 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.938 11.322 10.505 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.113 10.410 9.380 1.00 0.00 C ATOM 1132 C HIS A 79 -5.488 11.175 8.114 1.00 0.00 C ATOM 1133 O HIS A 79 -6.482 11.901 8.087 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.189 9.372 9.700 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.674 8.193 10.468 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.799 7.271 9.933 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.914 7.790 11.738 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.525 6.350 10.841 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.188 6.643 11.945 1.00 0.00 N ATOM 0 H HIS A 79 -5.638 11.223 11.240 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.166 9.899 9.208 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.984 9.849 10.273 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.634 9.022 8.768 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.557 8.279 12.455 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.870 5.502 10.703 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.165 6.105 12.811 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.686 11.007 7.068 1.00 0.00 N ATOM 1149 CA VAL A 80 -4.933 11.681 5.799 1.00 0.00 C ATOM 1150 C VAL A 80 -6.191 11.143 5.127 1.00 0.00 C ATOM 1151 O VAL A 80 -6.672 10.059 5.460 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.742 11.521 4.836 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.473 12.083 5.459 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.557 10.060 4.456 1.00 0.00 C ATOM 0 H VAL A 80 -3.859 10.410 7.074 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.068 12.739 6.024 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.953 12.085 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.642 11.961 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.612 13.142 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.254 11.549 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.711 9.965 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.368 9.472 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.460 9.694 3.966 1.00 0.00 H new ATOM 1164 N THR A 81 -6.722 11.907 4.177 1.00 0.00 N ATOM 1165 CA THR A 81 -7.925 11.507 3.458 1.00 0.00 C ATOM 1166 C THR A 81 -7.701 10.209 2.690 1.00 0.00 C ATOM 1167 O THR A 81 -6.761 10.095 1.905 1.00 0.00 O ATOM 1168 CB THR A 81 -8.380 12.600 2.473 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.456 13.863 3.144 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.734 12.257 1.871 1.00 0.00 C ATOM 0 H THR A 81 -6.337 12.806 3.888 1.00 0.00 H new ATOM 0 HA THR A 81 -8.703 11.354 4.205 1.00 0.00 H new ATOM 0 HB THR A 81 -7.648 12.660 1.668 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.744 14.553 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.034 13.044 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.665 11.310 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.475 12.171 2.666 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.572 9.232 2.922 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.452 7.954 2.244 1.00 0.00 C ATOM 1180 C GLY A 82 -7.872 6.876 3.138 1.00 0.00 C ATOM 1181 O GLY A 82 -8.254 5.709 3.043 1.00 0.00 O ATOM 0 H GLY A 82 -9.359 9.302 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.434 7.640 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.820 8.071 1.364 1.00 0.00 H new ATOM 1185 N SER A 83 -6.945 7.265 4.008 1.00 0.00 N ATOM 1186 CA SER A 83 -6.307 6.322 4.918 1.00 0.00 C ATOM 1187 C SER A 83 -7.120 6.170 6.200 1.00 0.00 C ATOM 1188 O SER A 83 -7.856 7.068 6.609 1.00 0.00 O ATOM 1189 CB SER A 83 -4.887 6.785 5.253 1.00 0.00 C ATOM 1190 OG SER A 83 -4.527 6.412 6.571 1.00 0.00 O ATOM 0 H SER A 83 -6.619 8.227 4.101 1.00 0.00 H new ATOM 0 HA SER A 83 -6.258 5.353 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.183 6.351 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.820 7.868 5.147 1.00 0.00 H new ATOM 0 HG SER A 83 -4.024 7.141 6.991 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.984 5.005 6.852 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.110 3.929 6.375 1.00 0.00 C ATOM 1198 C PRO A 84 -6.642 3.270 5.106 1.00 0.00 C ATOM 1199 O PRO A 84 -7.852 3.194 4.895 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.110 2.932 7.536 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.395 3.178 8.247 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.672 4.649 8.104 1.00 0.00 C ATOM 0 HA PRO A 84 -5.118 4.296 6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.047 1.905 7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.256 3.092 8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.201 2.585 7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.320 2.895 9.297 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.741 4.853 8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.284 5.215 8.951 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.729 2.795 4.265 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.107 2.143 3.016 1.00 0.00 C ATOM 1212 C PHE A 85 -6.056 0.625 3.159 1.00 0.00 C ATOM 1213 O PHE A 85 -4.981 0.039 3.283 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.183 2.591 1.882 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.242 4.067 1.609 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.230 4.594 0.793 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.310 4.927 2.167 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.287 5.952 0.539 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.362 6.285 1.917 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.352 6.798 1.102 1.00 0.00 C ATOM 0 H PHE A 85 -4.723 2.849 4.425 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.130 2.434 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.158 2.316 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.448 2.051 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.964 3.937 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.534 4.531 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.062 6.351 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.629 6.944 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.395 7.859 0.905 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.227 -0.005 3.141 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.316 -1.455 3.269 1.00 0.00 C ATOM 1232 C GLN A 86 -7.313 -2.124 1.899 1.00 0.00 C ATOM 1233 O GLN A 86 -7.951 -1.645 0.961 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.580 -1.843 4.037 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.470 -3.177 4.757 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.822 -3.756 5.124 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.554 -4.246 4.264 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.160 -3.704 6.407 1.00 0.00 N ATOM 0 H GLN A 86 -8.126 0.466 3.039 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.443 -1.800 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.806 -1.064 4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.419 -1.883 3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.936 -3.885 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.876 -3.049 5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.522 -3.289 7.086 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.057 -4.079 6.714 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.591 -3.234 1.790 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.504 -3.969 0.533 1.00 0.00 C ATOM 1249 C PHE A 87 -6.320 -5.462 0.788 1.00 0.00 C ATOM 1250 O PHE A 87 -5.761 -5.866 1.808 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.346 -3.438 -0.314 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.992 -3.748 0.260 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.440 -5.011 0.124 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.272 -2.776 0.935 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.196 -5.299 0.651 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.027 -3.057 1.465 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.488 -4.321 1.322 1.00 0.00 C ATOM 0 H PHE A 87 -6.058 -3.645 2.556 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.438 -3.823 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.414 -3.864 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.449 -2.358 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.989 -5.780 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.689 -1.786 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.777 -6.288 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.477 -2.290 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.515 -4.544 1.734 1.00 0.00 H new ATOM 1267 N THR A 88 -6.795 -6.279 -0.147 1.00 0.00 N ATOM 1268 CA THR A 88 -6.685 -7.727 -0.025 1.00 0.00 C ATOM 1269 C THR A 88 -5.708 -8.293 -1.049 1.00 0.00 C ATOM 1270 O THR A 88 -5.631 -7.813 -2.180 1.00 0.00 O ATOM 1271 CB THR A 88 -8.054 -8.412 -0.205 1.00 0.00 C ATOM 1272 OG1 THR A 88 -8.963 -7.962 0.806 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.915 -9.925 -0.132 1.00 0.00 C ATOM 0 H THR A 88 -7.260 -5.962 -0.998 1.00 0.00 H new ATOM 0 HA THR A 88 -6.314 -7.932 0.979 1.00 0.00 H new ATOM 0 HB THR A 88 -8.443 -8.146 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.831 -8.400 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.894 -10.387 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.245 -10.267 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.507 -10.206 0.839 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.963 -9.318 -0.646 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.992 -9.951 -1.530 1.00 0.00 C ATOM 1283 C VAL A 89 -4.469 -11.329 -1.973 1.00 0.00 C ATOM 1284 O VAL A 89 -4.954 -12.119 -1.165 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.618 -10.090 -0.846 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.567 -10.544 -1.847 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.213 -8.777 -0.193 1.00 0.00 C ATOM 0 H VAL A 89 -5.014 -9.727 0.287 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.891 -9.307 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.694 -10.848 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.603 -10.637 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.854 -11.510 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.489 -9.811 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.240 -8.893 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.153 -7.997 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.955 -8.499 0.556 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.326 -11.611 -3.265 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.747 -12.895 -3.794 1.00 0.00 C ATOM 1299 C GLY A 90 -3.575 -13.775 -4.181 1.00 0.00 C ATOM 1300 O GLY A 90 -2.459 -13.611 -3.689 1.00 0.00 O ATOM 0 H GLY A 90 -3.926 -10.974 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.354 -13.410 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.381 -12.735 -4.666 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.824 -14.736 -5.083 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.793 -15.665 -5.555 1.00 0.00 C ATOM 1306 C PRO A 91 -1.750 -14.978 -6.430 1.00 0.00 C ATOM 1307 O PRO A 91 -2.080 -14.119 -7.249 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.585 -16.689 -6.372 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.805 -15.958 -6.815 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.131 -14.989 -5.712 1.00 0.00 C ATOM 0 HA PRO A 91 -2.229 -16.101 -4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.007 -17.048 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.842 -17.561 -5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.627 -15.434 -7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.632 -16.647 -6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.574 -14.072 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.843 -15.412 -5.003 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.490 -15.361 -6.252 1.00 0.00 N ATOM 1319 CA LEU A 92 0.602 -14.782 -7.027 1.00 0.00 C ATOM 1320 C LEU A 92 0.290 -14.816 -8.519 1.00 0.00 C ATOM 1321 O LEU A 92 0.417 -13.809 -9.214 1.00 0.00 O ATOM 1322 CB LEU A 92 1.905 -15.533 -6.749 1.00 0.00 C ATOM 1323 CG LEU A 92 2.917 -15.568 -7.895 1.00 0.00 C ATOM 1324 CD1 LEU A 92 4.329 -15.734 -7.354 1.00 0.00 C ATOM 1325 CD2 LEU A 92 2.582 -16.688 -8.869 1.00 0.00 C ATOM 0 H LEU A 92 -0.200 -16.070 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 92 0.718 -13.742 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.384 -15.080 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.659 -16.559 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 92 2.864 -14.620 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.036 -15.757 -8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.567 -14.898 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.397 -16.667 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.313 -16.698 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.607 -17.644 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.586 -16.526 -9.282 1.00 0.00 H new