USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 50 MET CE :methyl -109:sc= -0.633 (180deg=-1.48) USER MOD Set 1.2: A 101 HIS : no HE2:sc= -1.68! C(o=-2.3!,f=-3.7!) USER MOD Single : A 18 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.6!) USER MOD Single : A 19 GLN : amide:sc= -0.965 K(o=-0.97,f=-2.4!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 23 THR OG1 : rot 73:sc= 1 USER MOD Single : A 25 SER OG : rot 76:sc= 1.24 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 110:sc= -0.974 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 66:sc= -0.385 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0.0111 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -97:sc= 1.13 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 177:sc=-0.00323 (180deg=-0.00585) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= -0.0128 (180deg=-0.0128) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.02) USER MOD Single : A 53 ASN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.069) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 0.00135 (180deg=0) USER MOD Single : A 75 MET CE :methyl -172:sc= -0.173 (180deg=-0.274) USER MOD Single : A 76 THR OG1 : rot 136:sc= 0.154 USER MOD Single : A 80 THR OG1 : rot -160:sc= -3.28! USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 97 THR OG1 : rot 72:sc= 0.0734 USER MOD Single : A 98 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-1.5) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -5.03! C(o=-5!,f=-3.6!) USER MOD Single : A 112 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 168 N ALA A 15 16.424 -6.086 -1.831 1.00 0.00 N ATOM 169 CA ALA A 15 15.954 -4.752 -2.187 1.00 0.00 C ATOM 170 C ALA A 15 14.807 -4.315 -1.282 1.00 0.00 C ATOM 171 O ALA A 15 14.126 -5.133 -0.664 1.00 0.00 O ATOM 172 CB ALA A 15 15.523 -4.716 -3.645 1.00 0.00 C ATOM 0 HA ALA A 15 16.779 -4.053 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.175 -3.714 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.369 -4.976 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.716 -5.431 -3.804 1.00 0.00 H new ATOM 178 N PRO A 16 14.586 -2.995 -1.202 1.00 0.00 N ATOM 179 CA PRO A 16 13.521 -2.419 -0.375 1.00 0.00 C ATOM 180 C PRO A 16 12.132 -2.717 -0.930 1.00 0.00 C ATOM 181 O PRO A 16 11.201 -3.007 -0.178 1.00 0.00 O ATOM 182 CB PRO A 16 13.806 -0.916 -0.425 1.00 0.00 C ATOM 183 CG PRO A 16 14.547 -0.713 -1.702 1.00 0.00 C ATOM 184 CD PRO A 16 15.359 -1.962 -1.912 1.00 0.00 C ATOM 0 HA PRO A 16 13.519 -2.832 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.883 -0.337 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.399 -0.597 0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.858 -0.551 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.190 0.166 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.467 -2.198 -2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.365 -1.861 -1.504 1.00 0.00 H new ATOM 192 N VAL A 17 11.999 -2.643 -2.250 1.00 0.00 N ATOM 193 CA VAL A 17 10.723 -2.907 -2.906 1.00 0.00 C ATOM 194 C VAL A 17 10.162 -4.262 -2.492 1.00 0.00 C ATOM 195 O VAL A 17 8.965 -4.400 -2.244 1.00 0.00 O ATOM 196 CB VAL A 17 10.861 -2.867 -4.439 1.00 0.00 C ATOM 197 CG1 VAL A 17 11.663 -4.062 -4.934 1.00 0.00 C ATOM 198 CG2 VAL A 17 9.490 -2.825 -5.096 1.00 0.00 C ATOM 0 H VAL A 17 12.759 -2.402 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 17 10.037 -2.121 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 17 11.398 -1.960 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.750 -4.017 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.658 -4.042 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.156 -4.984 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.606 -2.797 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.924 -3.713 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.955 -1.935 -4.765 1.00 0.00 H new ATOM 208 N ASN A 18 11.036 -5.261 -2.418 1.00 0.00 N ATOM 209 CA ASN A 18 10.628 -6.607 -2.034 1.00 0.00 C ATOM 210 C ASN A 18 9.913 -6.595 -0.686 1.00 0.00 C ATOM 211 O ASN A 18 8.898 -7.267 -0.504 1.00 0.00 O ATOM 212 CB ASN A 18 11.844 -7.533 -1.971 1.00 0.00 C ATOM 213 CG ASN A 18 12.182 -8.137 -3.320 1.00 0.00 C ATOM 214 OD1 ASN A 18 11.301 -8.358 -4.152 1.00 0.00 O ATOM 215 ND2 ASN A 18 13.463 -8.405 -3.544 1.00 0.00 N ATOM 0 H ASN A 18 12.031 -5.163 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 18 9.936 -6.979 -2.789 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.704 -6.974 -1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.651 -8.333 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.751 -8.811 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.159 -8.205 -2.826 1.00 0.00 H new ATOM 222 N GLN A 19 10.451 -5.826 0.256 1.00 0.00 N ATOM 223 CA GLN A 19 9.865 -5.727 1.587 1.00 0.00 C ATOM 224 C GLN A 19 8.441 -5.187 1.516 1.00 0.00 C ATOM 225 O GLN A 19 7.593 -5.536 2.339 1.00 0.00 O ATOM 226 CB GLN A 19 10.721 -4.825 2.478 1.00 0.00 C ATOM 227 CG GLN A 19 12.175 -5.259 2.565 1.00 0.00 C ATOM 228 CD GLN A 19 12.326 -6.738 2.863 1.00 0.00 C ATOM 229 OE1 GLN A 19 11.429 -7.364 3.428 1.00 0.00 O ATOM 230 NE2 GLN A 19 13.466 -7.305 2.485 1.00 0.00 N ATOM 0 H GLN A 19 11.291 -5.263 0.122 1.00 0.00 H new ATOM 0 HA GLN A 19 9.834 -6.728 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.677 -3.805 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.295 -4.809 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.676 -5.029 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.676 -4.683 3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.183 -6.748 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.625 -8.297 2.660 1.00 0.00 H new ATOM 239 N ILE A 20 8.185 -4.335 0.529 1.00 0.00 N ATOM 240 CA ILE A 20 6.862 -3.748 0.351 1.00 0.00 C ATOM 241 C ILE A 20 5.924 -4.715 -0.364 1.00 0.00 C ATOM 242 O ILE A 20 4.797 -4.941 0.076 1.00 0.00 O ATOM 243 CB ILE A 20 6.933 -2.433 -0.448 1.00 0.00 C ATOM 244 CG1 ILE A 20 7.748 -1.389 0.319 1.00 0.00 C ATOM 245 CG2 ILE A 20 5.533 -1.913 -0.736 1.00 0.00 C ATOM 246 CD1 ILE A 20 8.413 -0.367 -0.576 1.00 0.00 C ATOM 0 H ILE A 20 8.876 -4.036 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 20 6.473 -3.538 1.347 1.00 0.00 H new ATOM 0 HB ILE A 20 7.430 -2.628 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.094 -0.874 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.512 -1.897 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.599 -0.983 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.983 -2.653 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.012 -1.730 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.973 0.341 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.093 -0.872 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.653 0.167 -1.146 1.00 0.00 H new ATOM 258 N GLN A 21 6.398 -5.282 -1.469 1.00 0.00 N ATOM 259 CA GLN A 21 5.601 -6.226 -2.244 1.00 0.00 C ATOM 260 C GLN A 21 4.957 -7.269 -1.337 1.00 0.00 C ATOM 261 O GLN A 21 3.826 -7.695 -1.570 1.00 0.00 O ATOM 262 CB GLN A 21 6.469 -6.914 -3.298 1.00 0.00 C ATOM 263 CG GLN A 21 7.019 -5.964 -4.350 1.00 0.00 C ATOM 264 CD GLN A 21 7.232 -6.638 -5.691 1.00 0.00 C ATOM 265 OE1 GLN A 21 7.618 -7.806 -5.757 1.00 0.00 O ATOM 266 NE2 GLN A 21 6.981 -5.905 -6.769 1.00 0.00 N ATOM 0 H GLN A 21 7.328 -5.104 -1.847 1.00 0.00 H new ATOM 0 HA GLN A 21 4.809 -5.669 -2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.301 -7.414 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.881 -7.688 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.331 -5.127 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.965 -5.550 -4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.663 -4.941 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.106 -6.306 -7.699 1.00 0.00 H new ATOM 275 N GLU A 22 5.686 -7.677 -0.303 1.00 0.00 N ATOM 276 CA GLU A 22 5.185 -8.672 0.638 1.00 0.00 C ATOM 277 C GLU A 22 4.150 -8.060 1.578 1.00 0.00 C ATOM 278 O GLU A 22 3.119 -8.669 1.866 1.00 0.00 O ATOM 279 CB GLU A 22 6.339 -9.265 1.450 1.00 0.00 C ATOM 280 CG GLU A 22 7.433 -9.880 0.593 1.00 0.00 C ATOM 281 CD GLU A 22 7.156 -11.330 0.245 1.00 0.00 C ATOM 282 OE1 GLU A 22 6.307 -11.577 -0.637 1.00 0.00 O ATOM 283 OE2 GLU A 22 7.789 -12.217 0.855 1.00 0.00 O ATOM 0 H GLU A 22 6.624 -7.334 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 22 4.706 -9.467 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.773 -8.483 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.945 -10.027 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.537 -9.303 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.384 -9.812 1.121 1.00 0.00 H new ATOM 290 N THR A 23 4.432 -6.851 2.053 1.00 0.00 N ATOM 291 CA THR A 23 3.528 -6.157 2.961 1.00 0.00 C ATOM 292 C THR A 23 2.151 -5.975 2.333 1.00 0.00 C ATOM 293 O THR A 23 1.133 -6.312 2.938 1.00 0.00 O ATOM 294 CB THR A 23 4.084 -4.777 3.361 1.00 0.00 C ATOM 295 OG1 THR A 23 5.383 -4.923 3.945 1.00 0.00 O ATOM 296 CG2 THR A 23 3.154 -4.084 4.346 1.00 0.00 C ATOM 0 H THR A 23 5.280 -6.332 1.824 1.00 0.00 H new ATOM 0 HA THR A 23 3.438 -6.777 3.853 1.00 0.00 H new ATOM 0 HB THR A 23 4.157 -4.164 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.034 -5.137 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.567 -3.112 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.174 -3.948 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.053 -4.695 5.243 1.00 0.00 H new ATOM 304 N ILE A 24 2.127 -5.440 1.117 1.00 0.00 N ATOM 305 CA ILE A 24 0.874 -5.216 0.406 1.00 0.00 C ATOM 306 C ILE A 24 0.132 -6.527 0.171 1.00 0.00 C ATOM 307 O ILE A 24 -1.093 -6.547 0.055 1.00 0.00 O ATOM 308 CB ILE A 24 1.111 -4.523 -0.948 1.00 0.00 C ATOM 309 CG1 ILE A 24 2.104 -5.327 -1.790 1.00 0.00 C ATOM 310 CG2 ILE A 24 1.616 -3.103 -0.736 1.00 0.00 C ATOM 311 CD1 ILE A 24 2.153 -4.898 -3.240 1.00 0.00 C ATOM 0 H ILE A 24 2.961 -5.154 0.604 1.00 0.00 H new ATOM 0 HA ILE A 24 0.266 -4.566 1.036 1.00 0.00 H new ATOM 0 HB ILE A 24 0.164 -4.474 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.099 -5.228 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.838 -6.383 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.779 -2.627 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.877 -2.535 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.554 -3.129 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.878 -5.511 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.168 -5.023 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.449 -3.851 -3.300 1.00 0.00 H new ATOM 323 N SER A 25 0.884 -7.621 0.104 1.00 0.00 N ATOM 324 CA SER A 25 0.298 -8.938 -0.120 1.00 0.00 C ATOM 325 C SER A 25 -0.345 -9.470 1.157 1.00 0.00 C ATOM 326 O SER A 25 -1.537 -9.777 1.184 1.00 0.00 O ATOM 327 CB SER A 25 1.365 -9.917 -0.614 1.00 0.00 C ATOM 328 OG SER A 25 1.850 -9.541 -1.891 1.00 0.00 O ATOM 0 H SER A 25 1.899 -7.622 0.201 1.00 0.00 H new ATOM 0 HA SER A 25 -0.475 -8.840 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.191 -9.949 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.946 -10.922 -0.662 1.00 0.00 H new ATOM 0 HG SER A 25 2.456 -8.776 -1.799 1.00 0.00 H new ATOM 334 N ASP A 26 0.453 -9.578 2.213 1.00 0.00 N ATOM 335 CA ASP A 26 -0.036 -10.072 3.495 1.00 0.00 C ATOM 336 C ASP A 26 -1.209 -9.231 3.990 1.00 0.00 C ATOM 337 O ASP A 26 -2.268 -9.760 4.324 1.00 0.00 O ATOM 338 CB ASP A 26 1.087 -10.063 4.532 1.00 0.00 C ATOM 339 CG ASP A 26 1.923 -11.327 4.491 1.00 0.00 C ATOM 340 OD1 ASP A 26 1.338 -12.421 4.353 1.00 0.00 O ATOM 341 OD2 ASP A 26 3.164 -11.222 4.598 1.00 0.00 O ATOM 0 H ASP A 26 1.442 -9.330 2.207 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.380 -11.096 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.730 -9.200 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.658 -9.947 5.527 1.00 0.00 H new ATOM 346 N ASN A 27 -1.011 -7.917 4.034 1.00 0.00 N ATOM 347 CA ASN A 27 -2.051 -7.003 4.490 1.00 0.00 C ATOM 348 C ASN A 27 -3.086 -6.766 3.394 1.00 0.00 C ATOM 349 O ASN A 27 -2.830 -7.024 2.217 1.00 0.00 O ATOM 350 CB ASN A 27 -1.435 -5.670 4.922 1.00 0.00 C ATOM 351 CG ASN A 27 -0.880 -5.720 6.332 1.00 0.00 C ATOM 352 OD1 ASN A 27 -1.553 -5.336 7.289 1.00 0.00 O ATOM 353 ND2 ASN A 27 0.352 -6.195 6.467 1.00 0.00 N ATOM 0 H ASN A 27 -0.140 -7.462 3.759 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.551 -7.459 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.637 -5.400 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.190 -4.887 4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.778 -6.253 7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.873 -6.502 5.646 1.00 0.00 H new ATOM 360 N CYS A 28 -4.255 -6.272 3.788 1.00 0.00 N ATOM 361 CA CYS A 28 -5.329 -6.000 2.840 1.00 0.00 C ATOM 362 C CYS A 28 -5.146 -4.632 2.189 1.00 0.00 C ATOM 363 O CYS A 28 -5.168 -4.507 0.965 1.00 0.00 O ATOM 364 CB CYS A 28 -6.686 -6.065 3.543 1.00 0.00 C ATOM 365 SG CYS A 28 -7.124 -7.721 4.162 1.00 0.00 S ATOM 0 H CYS A 28 -4.483 -6.052 4.758 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.294 -6.761 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.684 -5.365 4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.459 -5.732 2.850 1.00 0.00 H new ATOM 370 N VAL A 29 -4.965 -3.608 3.017 1.00 0.00 N ATOM 371 CA VAL A 29 -4.776 -2.249 2.523 1.00 0.00 C ATOM 372 C VAL A 29 -3.560 -1.594 3.168 1.00 0.00 C ATOM 373 O VAL A 29 -3.302 -1.774 4.358 1.00 0.00 O ATOM 374 CB VAL A 29 -6.018 -1.378 2.791 1.00 0.00 C ATOM 375 CG1 VAL A 29 -5.815 0.024 2.237 1.00 0.00 C ATOM 376 CG2 VAL A 29 -7.259 -2.022 2.192 1.00 0.00 C ATOM 0 H VAL A 29 -4.945 -3.694 4.033 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.617 -2.322 1.447 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.161 -1.300 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.702 0.626 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.951 0.483 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.647 -0.031 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.127 -1.393 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.129 -2.131 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.412 -3.004 2.640 1.00 0.00 H new ATOM 386 N VAL A 30 -2.815 -0.832 2.374 1.00 0.00 N ATOM 387 CA VAL A 30 -1.626 -0.147 2.867 1.00 0.00 C ATOM 388 C VAL A 30 -1.618 1.317 2.441 1.00 0.00 C ATOM 389 O VAL A 30 -1.928 1.642 1.295 1.00 0.00 O ATOM 390 CB VAL A 30 -0.338 -0.824 2.362 1.00 0.00 C ATOM 391 CG1 VAL A 30 0.890 -0.123 2.922 1.00 0.00 C ATOM 392 CG2 VAL A 30 -0.333 -2.300 2.729 1.00 0.00 C ATOM 0 H VAL A 30 -3.014 -0.673 1.386 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.656 -0.205 3.955 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.308 -0.743 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.790 -0.616 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.891 0.919 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.871 -0.169 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.584 -2.762 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.387 -2.406 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.193 -2.791 2.273 1.00 0.00 H new ATOM 402 N ILE A 31 -1.261 2.196 3.372 1.00 0.00 N ATOM 403 CA ILE A 31 -1.211 3.625 3.092 1.00 0.00 C ATOM 404 C ILE A 31 0.167 4.199 3.405 1.00 0.00 C ATOM 405 O ILE A 31 0.527 4.377 4.569 1.00 0.00 O ATOM 406 CB ILE A 31 -2.272 4.395 3.902 1.00 0.00 C ATOM 407 CG1 ILE A 31 -3.678 3.947 3.497 1.00 0.00 C ATOM 408 CG2 ILE A 31 -2.108 5.894 3.699 1.00 0.00 C ATOM 409 CD1 ILE A 31 -4.769 4.518 4.374 1.00 0.00 C ATOM 0 H ILE A 31 -1.002 1.943 4.326 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.419 3.746 2.029 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.132 4.174 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.861 4.242 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.728 2.859 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.864 6.424 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.116 6.200 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.226 6.133 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.739 4.159 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.610 4.201 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.746 5.606 4.321 1.00 0.00 H new ATOM 421 N PHE A 32 0.933 4.489 2.358 1.00 0.00 N ATOM 422 CA PHE A 32 2.271 5.044 2.521 1.00 0.00 C ATOM 423 C PHE A 32 2.233 6.569 2.504 1.00 0.00 C ATOM 424 O PHE A 32 2.032 7.184 1.456 1.00 0.00 O ATOM 425 CB PHE A 32 3.196 4.533 1.415 1.00 0.00 C ATOM 426 CG PHE A 32 3.626 3.106 1.604 1.00 0.00 C ATOM 427 CD1 PHE A 32 4.512 2.764 2.614 1.00 0.00 C ATOM 428 CD2 PHE A 32 3.145 2.107 0.773 1.00 0.00 C ATOM 429 CE1 PHE A 32 4.909 1.452 2.791 1.00 0.00 C ATOM 430 CE2 PHE A 32 3.539 0.794 0.946 1.00 0.00 C ATOM 431 CZ PHE A 32 4.423 0.466 1.955 1.00 0.00 C ATOM 0 H PHE A 32 0.650 4.349 1.388 1.00 0.00 H new ATOM 0 HA PHE A 32 2.657 4.719 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.688 4.627 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.081 5.168 1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.896 3.531 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.454 2.357 -0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.599 1.198 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.156 0.024 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.734 -0.560 2.090 1.00 0.00 H new ATOM 441 N SER A 33 2.428 7.173 3.672 1.00 0.00 N ATOM 442 CA SER A 33 2.412 8.626 3.792 1.00 0.00 C ATOM 443 C SER A 33 3.789 9.155 4.180 1.00 0.00 C ATOM 444 O SER A 33 4.687 8.387 4.529 1.00 0.00 O ATOM 445 CB SER A 33 1.375 9.061 4.830 1.00 0.00 C ATOM 446 OG SER A 33 0.064 9.003 4.297 1.00 0.00 O ATOM 0 H SER A 33 2.599 6.679 4.548 1.00 0.00 H new ATOM 0 HA SER A 33 2.143 9.043 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.443 8.418 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.592 10.077 5.161 1.00 0.00 H new ATOM 0 HG SER A 33 -0.428 8.268 4.719 1.00 0.00 H new ATOM 452 N LYS A 34 3.950 10.472 4.117 1.00 0.00 N ATOM 453 CA LYS A 34 5.217 11.106 4.462 1.00 0.00 C ATOM 454 C LYS A 34 4.998 12.275 5.417 1.00 0.00 C ATOM 455 O LYS A 34 5.770 13.234 5.429 1.00 0.00 O ATOM 456 CB LYS A 34 5.928 11.593 3.198 1.00 0.00 C ATOM 457 CG LYS A 34 5.137 12.628 2.415 1.00 0.00 C ATOM 458 CD LYS A 34 5.566 12.672 0.958 1.00 0.00 C ATOM 459 CE LYS A 34 5.379 14.059 0.364 1.00 0.00 C ATOM 460 NZ LYS A 34 5.951 14.157 -1.008 1.00 0.00 N ATOM 0 H LYS A 34 3.218 11.122 3.830 1.00 0.00 H new ATOM 0 HA LYS A 34 5.842 10.365 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.893 12.018 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.130 10.738 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.074 12.397 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.275 13.611 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.613 12.378 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.986 11.948 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.317 14.300 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.855 14.798 1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.803 15.118 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.970 13.952 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.480 13.470 -1.631 1.00 0.00 H new ATOM 474 N THR A 35 3.941 12.188 6.219 1.00 0.00 N ATOM 475 CA THR A 35 3.621 13.238 7.178 1.00 0.00 C ATOM 476 C THR A 35 4.053 14.605 6.661 1.00 0.00 C ATOM 477 O THR A 35 4.673 15.385 7.384 1.00 0.00 O ATOM 478 CB THR A 35 4.294 12.980 8.539 1.00 0.00 C ATOM 479 OG1 THR A 35 5.712 13.143 8.423 1.00 0.00 O ATOM 480 CG2 THR A 35 3.979 11.579 9.041 1.00 0.00 C ATOM 0 H THR A 35 3.292 11.401 6.223 1.00 0.00 H new ATOM 0 HA THR A 35 2.539 13.228 7.309 1.00 0.00 H new ATOM 0 HB THR A 35 3.903 13.702 9.256 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.918 14.079 8.218 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.465 11.420 10.004 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.901 11.468 9.156 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.345 10.845 8.324 1.00 0.00 H new ATOM 488 N SER A 36 3.722 14.890 5.406 1.00 0.00 N ATOM 489 CA SER A 36 4.080 16.163 4.791 1.00 0.00 C ATOM 490 C SER A 36 2.883 16.772 4.066 1.00 0.00 C ATOM 491 O SER A 36 2.657 17.981 4.124 1.00 0.00 O ATOM 492 CB SER A 36 5.241 15.973 3.812 1.00 0.00 C ATOM 493 OG SER A 36 5.872 17.209 3.524 1.00 0.00 O ATOM 0 H SER A 36 3.206 14.257 4.795 1.00 0.00 H new ATOM 0 HA SER A 36 4.390 16.846 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.968 15.280 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.873 15.525 2.889 1.00 0.00 H new ATOM 0 HG SER A 36 6.611 17.061 2.898 1.00 0.00 H new ATOM 499 N CYS A 37 2.120 15.925 3.384 1.00 0.00 N ATOM 500 CA CYS A 37 0.946 16.378 2.646 1.00 0.00 C ATOM 501 C CYS A 37 -0.299 16.333 3.525 1.00 0.00 C ATOM 502 O CYS A 37 -0.286 15.748 4.608 1.00 0.00 O ATOM 503 CB CYS A 37 0.737 15.515 1.400 1.00 0.00 C ATOM 504 SG CYS A 37 -0.046 16.386 0.022 1.00 0.00 S ATOM 0 H CYS A 37 2.293 14.921 3.327 1.00 0.00 H new ATOM 0 HA CYS A 37 1.115 17.410 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.702 15.130 1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.125 14.653 1.666 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.178 15.575 -0.985 1.00 0.00 H new ATOM 510 N SER A 38 -1.373 16.958 3.053 1.00 0.00 N ATOM 511 CA SER A 38 -2.626 16.994 3.798 1.00 0.00 C ATOM 512 C SER A 38 -3.479 15.768 3.487 1.00 0.00 C ATOM 513 O SER A 38 -4.104 15.191 4.377 1.00 0.00 O ATOM 514 CB SER A 38 -3.404 18.269 3.467 1.00 0.00 C ATOM 515 OG SER A 38 -2.613 19.423 3.694 1.00 0.00 O ATOM 0 H SER A 38 -1.401 17.446 2.158 1.00 0.00 H new ATOM 0 HA SER A 38 -2.388 16.988 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.724 18.243 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.306 18.317 4.077 1.00 0.00 H new ATOM 0 HG SER A 38 -3.132 20.224 3.473 1.00 0.00 H new ATOM 521 N TYR A 39 -3.501 15.377 2.218 1.00 0.00 N ATOM 522 CA TYR A 39 -4.279 14.222 1.787 1.00 0.00 C ATOM 523 C TYR A 39 -4.039 13.030 2.708 1.00 0.00 C ATOM 524 O TYR A 39 -4.898 12.158 2.850 1.00 0.00 O ATOM 525 CB TYR A 39 -3.923 13.849 0.348 1.00 0.00 C ATOM 526 CG TYR A 39 -4.314 14.901 -0.665 1.00 0.00 C ATOM 527 CD1 TYR A 39 -5.537 15.554 -0.581 1.00 0.00 C ATOM 528 CD2 TYR A 39 -3.459 15.242 -1.707 1.00 0.00 C ATOM 529 CE1 TYR A 39 -5.898 16.516 -1.505 1.00 0.00 C ATOM 530 CE2 TYR A 39 -3.812 16.203 -2.634 1.00 0.00 C ATOM 531 CZ TYR A 39 -5.032 16.837 -2.529 1.00 0.00 C ATOM 532 OH TYR A 39 -5.388 17.795 -3.451 1.00 0.00 O ATOM 0 H TYR A 39 -2.989 15.843 1.469 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.335 14.488 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.849 13.675 0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.415 12.910 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.217 15.306 0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.503 14.747 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.853 17.014 -1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.136 16.457 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.667 17.903 -4.106 1.00 0.00 H new ATOM 542 N CYS A 40 -2.867 12.999 3.332 1.00 0.00 N ATOM 543 CA CYS A 40 -2.512 11.915 4.241 1.00 0.00 C ATOM 544 C CYS A 40 -3.633 11.656 5.243 1.00 0.00 C ATOM 545 O CYS A 40 -3.752 10.558 5.788 1.00 0.00 O ATOM 546 CB CYS A 40 -1.216 12.245 4.981 1.00 0.00 C ATOM 547 SG CYS A 40 -1.362 13.615 6.152 1.00 0.00 S ATOM 0 H CYS A 40 -2.146 13.712 3.225 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.363 11.012 3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.880 11.357 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.444 12.487 4.250 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.945 14.711 5.592 1.00 0.00 H new ATOM 553 N THR A 41 -4.452 12.675 5.483 1.00 0.00 N ATOM 554 CA THR A 41 -5.560 12.560 6.422 1.00 0.00 C ATOM 555 C THR A 41 -6.842 12.141 5.711 1.00 0.00 C ATOM 556 O THR A 41 -7.652 11.395 6.260 1.00 0.00 O ATOM 557 CB THR A 41 -5.809 13.887 7.164 1.00 0.00 C ATOM 558 OG1 THR A 41 -6.512 13.641 8.386 1.00 0.00 O ATOM 559 CG2 THR A 41 -6.609 14.849 6.298 1.00 0.00 C ATOM 0 H THR A 41 -4.368 13.590 5.040 1.00 0.00 H new ATOM 0 HA THR A 41 -5.282 11.794 7.146 1.00 0.00 H new ATOM 0 HB THR A 41 -4.843 14.340 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.665 14.489 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.773 15.779 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.058 15.058 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.571 14.400 6.049 1.00 0.00 H new ATOM 567 N MET A 42 -7.018 12.624 4.485 1.00 0.00 N ATOM 568 CA MET A 42 -8.201 12.296 3.698 1.00 0.00 C ATOM 569 C MET A 42 -8.305 10.791 3.473 1.00 0.00 C ATOM 570 O MET A 42 -9.389 10.215 3.558 1.00 0.00 O ATOM 571 CB MET A 42 -8.162 13.024 2.353 1.00 0.00 C ATOM 572 CG MET A 42 -7.579 12.186 1.226 1.00 0.00 C ATOM 573 SD MET A 42 -7.471 13.093 -0.329 1.00 0.00 S ATOM 574 CE MET A 42 -9.163 12.976 -0.907 1.00 0.00 C ATOM 0 H MET A 42 -6.357 13.243 4.016 1.00 0.00 H new ATOM 0 HA MET A 42 -9.079 12.623 4.255 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.174 13.327 2.084 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.574 13.935 2.459 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.585 11.842 1.511 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.195 11.298 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.270 13.536 -1.836 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.416 11.930 -1.083 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.834 13.390 -0.154 1.00 0.00 H new ATOM 584 N ALA A 43 -7.171 10.161 3.184 1.00 0.00 N ATOM 585 CA ALA A 43 -7.135 8.723 2.949 1.00 0.00 C ATOM 586 C ALA A 43 -7.338 7.949 4.247 1.00 0.00 C ATOM 587 O ALA A 43 -8.246 7.123 4.353 1.00 0.00 O ATOM 588 CB ALA A 43 -5.818 8.328 2.297 1.00 0.00 C ATOM 0 H ALA A 43 -6.265 10.624 3.107 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.953 8.469 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.805 7.251 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.714 8.847 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.991 8.602 2.952 1.00 0.00 H new ATOM 594 N LYS A 44 -6.489 8.220 5.231 1.00 0.00 N ATOM 595 CA LYS A 44 -6.575 7.549 6.523 1.00 0.00 C ATOM 596 C LYS A 44 -7.967 7.708 7.127 1.00 0.00 C ATOM 597 O LYS A 44 -8.526 6.762 7.681 1.00 0.00 O ATOM 598 CB LYS A 44 -5.524 8.110 7.483 1.00 0.00 C ATOM 599 CG LYS A 44 -4.103 8.014 6.954 1.00 0.00 C ATOM 600 CD LYS A 44 -3.136 8.823 7.802 1.00 0.00 C ATOM 601 CE LYS A 44 -1.776 8.945 7.133 1.00 0.00 C ATOM 602 NZ LYS A 44 -0.695 9.220 8.120 1.00 0.00 N ATOM 0 H LYS A 44 -5.732 8.900 5.159 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.385 6.487 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.755 9.155 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.587 7.575 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.789 6.970 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.072 8.371 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.547 9.817 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.022 8.350 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.552 8.023 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.805 9.746 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.216 9.296 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.896 10.112 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.650 8.444 8.811 1.00 0.00 H new ATOM 616 N LYS A 45 -8.521 8.910 7.015 1.00 0.00 N ATOM 617 CA LYS A 45 -9.849 9.193 7.547 1.00 0.00 C ATOM 618 C LYS A 45 -10.928 8.526 6.700 1.00 0.00 C ATOM 619 O LYS A 45 -11.938 8.053 7.223 1.00 0.00 O ATOM 620 CB LYS A 45 -10.088 10.704 7.600 1.00 0.00 C ATOM 621 CG LYS A 45 -11.440 11.086 8.177 1.00 0.00 C ATOM 622 CD LYS A 45 -11.623 12.594 8.218 1.00 0.00 C ATOM 623 CE LYS A 45 -12.832 12.986 9.054 1.00 0.00 C ATOM 624 NZ LYS A 45 -14.107 12.790 8.311 1.00 0.00 N ATOM 0 H LYS A 45 -8.071 9.704 6.560 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.903 8.787 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.303 11.167 8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.004 11.112 6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.232 10.639 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.535 10.680 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.728 13.059 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.742 12.975 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.849 12.392 9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.743 14.030 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.907 13.068 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.102 13.376 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.205 11.789 8.047 1.00 0.00 H new ATOM 638 N LEU A 46 -10.708 8.491 5.390 1.00 0.00 N ATOM 639 CA LEU A 46 -11.661 7.880 4.470 1.00 0.00 C ATOM 640 C LEU A 46 -11.983 6.450 4.890 1.00 0.00 C ATOM 641 O LEU A 46 -13.148 6.082 5.037 1.00 0.00 O ATOM 642 CB LEU A 46 -11.105 7.893 3.046 1.00 0.00 C ATOM 643 CG LEU A 46 -11.778 6.944 2.054 1.00 0.00 C ATOM 644 CD1 LEU A 46 -13.019 7.590 1.456 1.00 0.00 C ATOM 645 CD2 LEU A 46 -10.804 6.540 0.956 1.00 0.00 C ATOM 0 H LEU A 46 -9.878 8.879 4.941 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.581 8.463 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.182 8.908 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.044 7.648 3.089 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.083 6.045 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.485 6.900 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.725 7.828 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.738 8.505 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.301 5.865 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.468 7.429 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.945 6.037 1.399 1.00 0.00 H new ATOM 657 N PHE A 47 -10.941 5.647 5.084 1.00 0.00 N ATOM 658 CA PHE A 47 -11.113 4.256 5.489 1.00 0.00 C ATOM 659 C PHE A 47 -11.650 4.167 6.914 1.00 0.00 C ATOM 660 O PHE A 47 -12.589 3.419 7.190 1.00 0.00 O ATOM 661 CB PHE A 47 -9.784 3.505 5.385 1.00 0.00 C ATOM 662 CG PHE A 47 -9.393 3.172 3.973 1.00 0.00 C ATOM 663 CD1 PHE A 47 -9.859 2.017 3.366 1.00 0.00 C ATOM 664 CD2 PHE A 47 -8.559 4.013 3.255 1.00 0.00 C ATOM 665 CE1 PHE A 47 -9.501 1.708 2.067 1.00 0.00 C ATOM 666 CE2 PHE A 47 -8.198 3.709 1.956 1.00 0.00 C ATOM 667 CZ PHE A 47 -8.669 2.554 1.361 1.00 0.00 C ATOM 0 H PHE A 47 -9.970 5.935 4.967 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.837 3.795 4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.998 4.109 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.851 2.583 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.509 1.351 3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.187 4.916 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.872 0.805 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.548 4.374 1.406 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.387 2.314 0.347 1.00 0.00 H new ATOM 677 N HIS A 48 -11.048 4.935 7.817 1.00 0.00 N ATOM 678 CA HIS A 48 -11.465 4.943 9.214 1.00 0.00 C ATOM 679 C HIS A 48 -12.980 5.080 9.328 1.00 0.00 C ATOM 680 O HIS A 48 -13.636 4.288 10.005 1.00 0.00 O ATOM 681 CB HIS A 48 -10.780 6.085 9.966 1.00 0.00 C ATOM 682 CG HIS A 48 -10.704 5.866 11.446 1.00 0.00 C ATOM 683 ND1 HIS A 48 -9.779 6.496 12.253 1.00 0.00 N ATOM 684 CD2 HIS A 48 -11.444 5.084 12.265 1.00 0.00 C ATOM 685 CE1 HIS A 48 -9.954 6.108 13.504 1.00 0.00 C ATOM 686 NE2 HIS A 48 -10.958 5.252 13.538 1.00 0.00 N ATOM 0 H HIS A 48 -10.270 5.560 7.606 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.169 3.994 9.661 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.771 6.214 9.574 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.319 7.012 9.771 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.265 4.446 11.972 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.374 6.436 14.354 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.315 4.790 14.374 1.00 0.00 H new ATOM 694 N ASP A 49 -13.530 6.090 8.663 1.00 0.00 N ATOM 695 CA ASP A 49 -14.968 6.331 8.689 1.00 0.00 C ATOM 696 C ASP A 49 -15.730 5.130 8.138 1.00 0.00 C ATOM 697 O ASP A 49 -16.832 4.821 8.590 1.00 0.00 O ATOM 698 CB ASP A 49 -15.312 7.583 7.881 1.00 0.00 C ATOM 699 CG ASP A 49 -16.762 7.994 8.039 1.00 0.00 C ATOM 700 OD1 ASP A 49 -17.072 8.714 9.011 1.00 0.00 O ATOM 701 OD2 ASP A 49 -17.587 7.596 7.191 1.00 0.00 O ATOM 0 H ASP A 49 -13.001 6.755 8.099 1.00 0.00 H new ATOM 0 HA ASP A 49 -15.267 6.484 9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.668 8.404 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.102 7.401 6.827 1.00 0.00 H new ATOM 706 N MET A 50 -15.135 4.457 7.158 1.00 0.00 N ATOM 707 CA MET A 50 -15.758 3.289 6.545 1.00 0.00 C ATOM 708 C MET A 50 -15.658 2.075 7.463 1.00 0.00 C ATOM 709 O MET A 50 -16.344 1.074 7.260 1.00 0.00 O ATOM 710 CB MET A 50 -15.101 2.981 5.199 1.00 0.00 C ATOM 711 CG MET A 50 -15.206 4.118 4.196 1.00 0.00 C ATOM 712 SD MET A 50 -13.823 4.157 3.041 1.00 0.00 S ATOM 713 CE MET A 50 -13.868 2.483 2.404 1.00 0.00 C ATOM 0 H MET A 50 -14.223 4.700 6.772 1.00 0.00 H new ATOM 0 HA MET A 50 -16.812 3.514 6.383 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.049 2.748 5.363 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.563 2.089 4.774 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.137 4.020 3.638 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.254 5.066 4.732 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.014 1.925 2.788 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.791 1.998 2.721 1.00 0.00 H new ATOM 0 HE3 MET A 50 -13.826 2.507 1.315 1.00 0.00 H new ATOM 723 N ASN A 51 -14.799 2.171 8.473 1.00 0.00 N ATOM 724 CA ASN A 51 -14.609 1.080 9.421 1.00 0.00 C ATOM 725 C ASN A 51 -13.873 -0.086 8.769 1.00 0.00 C ATOM 726 O ASN A 51 -14.081 -1.245 9.128 1.00 0.00 O ATOM 727 CB ASN A 51 -15.960 0.606 9.963 1.00 0.00 C ATOM 728 CG ASN A 51 -15.855 0.046 11.368 1.00 0.00 C ATOM 729 OD1 ASN A 51 -14.889 -0.640 11.705 1.00 0.00 O ATOM 730 ND2 ASN A 51 -16.852 0.336 12.196 1.00 0.00 N ATOM 0 H ASN A 51 -14.224 2.993 8.656 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.003 1.452 10.247 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.663 1.439 9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.367 -0.158 9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.837 -0.013 13.154 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.633 0.908 11.874 1.00 0.00 H new ATOM 737 N VAL A 52 -13.010 0.230 7.808 1.00 0.00 N ATOM 738 CA VAL A 52 -12.240 -0.791 7.106 1.00 0.00 C ATOM 739 C VAL A 52 -10.796 -0.822 7.594 1.00 0.00 C ATOM 740 O VAL A 52 -9.969 -0.018 7.167 1.00 0.00 O ATOM 741 CB VAL A 52 -12.252 -0.554 5.584 1.00 0.00 C ATOM 742 CG1 VAL A 52 -11.393 -1.591 4.876 1.00 0.00 C ATOM 743 CG2 VAL A 52 -13.677 -0.577 5.053 1.00 0.00 C ATOM 0 H VAL A 52 -12.827 1.184 7.498 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.713 -1.749 7.321 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.830 0.431 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.413 -1.408 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.367 -1.521 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.783 -2.588 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.667 -0.408 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.128 -1.547 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.259 0.207 5.538 1.00 0.00 H new ATOM 753 N ASN A 53 -10.500 -1.758 8.490 1.00 0.00 N ATOM 754 CA ASN A 53 -9.155 -1.895 9.036 1.00 0.00 C ATOM 755 C ASN A 53 -8.103 -1.577 7.978 1.00 0.00 C ATOM 756 O ASN A 53 -7.984 -2.282 6.975 1.00 0.00 O ATOM 757 CB ASN A 53 -8.942 -3.311 9.574 1.00 0.00 C ATOM 758 CG ASN A 53 -7.760 -3.399 10.520 1.00 0.00 C ATOM 759 OD1 ASN A 53 -6.785 -4.099 10.249 1.00 0.00 O ATOM 760 ND2 ASN A 53 -7.843 -2.687 11.638 1.00 0.00 N ATOM 0 H ASN A 53 -11.173 -2.433 8.853 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.048 -1.183 9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.843 -3.639 10.092 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.787 -3.994 8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.079 -2.707 12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.671 -2.120 11.821 1.00 0.00 H new ATOM 767 N TYR A 54 -7.343 -0.512 8.208 1.00 0.00 N ATOM 768 CA TYR A 54 -6.302 -0.100 7.274 1.00 0.00 C ATOM 769 C TYR A 54 -4.923 -0.189 7.921 1.00 0.00 C ATOM 770 O TYR A 54 -4.802 -0.428 9.123 1.00 0.00 O ATOM 771 CB TYR A 54 -6.559 1.328 6.790 1.00 0.00 C ATOM 772 CG TYR A 54 -6.405 2.372 7.874 1.00 0.00 C ATOM 773 CD1 TYR A 54 -7.395 2.559 8.831 1.00 0.00 C ATOM 774 CD2 TYR A 54 -5.271 3.171 7.940 1.00 0.00 C ATOM 775 CE1 TYR A 54 -7.259 3.512 9.822 1.00 0.00 C ATOM 776 CE2 TYR A 54 -5.126 4.125 8.928 1.00 0.00 C ATOM 777 CZ TYR A 54 -6.122 4.292 9.867 1.00 0.00 C ATOM 778 OH TYR A 54 -5.982 5.242 10.852 1.00 0.00 O ATOM 0 H TYR A 54 -7.428 0.082 9.033 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.327 -0.777 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.870 1.557 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.567 1.388 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.286 1.949 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.489 3.044 7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.039 3.646 10.557 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.237 4.737 8.965 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.124 5.703 10.742 1.00 0.00 H new ATOM 788 N LYS A 55 -3.885 0.005 7.115 1.00 0.00 N ATOM 789 CA LYS A 55 -2.513 -0.051 7.605 1.00 0.00 C ATOM 790 C LYS A 55 -1.680 1.086 7.023 1.00 0.00 C ATOM 791 O LYS A 55 -1.321 1.066 5.846 1.00 0.00 O ATOM 792 CB LYS A 55 -1.878 -1.397 7.250 1.00 0.00 C ATOM 793 CG LYS A 55 -0.728 -1.787 8.163 1.00 0.00 C ATOM 794 CD LYS A 55 0.551 -1.054 7.794 1.00 0.00 C ATOM 795 CE LYS A 55 1.783 -1.814 8.259 1.00 0.00 C ATOM 796 NZ LYS A 55 2.262 -2.777 7.229 1.00 0.00 N ATOM 0 H LYS A 55 -3.968 0.203 6.118 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.536 0.058 8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.643 -2.172 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.518 -1.359 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.991 -1.563 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.562 -2.863 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.594 -0.916 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.544 -0.060 8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.579 -1.107 8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.553 -2.351 9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.103 -3.275 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.512 -3.467 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.506 -2.262 6.359 1.00 0.00 H new ATOM 810 N VAL A 56 -1.375 2.076 7.856 1.00 0.00 N ATOM 811 CA VAL A 56 -0.581 3.221 7.424 1.00 0.00 C ATOM 812 C VAL A 56 0.900 3.001 7.707 1.00 0.00 C ATOM 813 O VAL A 56 1.266 2.327 8.671 1.00 0.00 O ATOM 814 CB VAL A 56 -1.039 4.516 8.120 1.00 0.00 C ATOM 815 CG1 VAL A 56 -0.300 4.706 9.435 1.00 0.00 C ATOM 816 CG2 VAL A 56 -0.833 5.714 7.205 1.00 0.00 C ATOM 0 H VAL A 56 -1.665 2.109 8.833 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.731 3.323 6.349 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.104 4.433 8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.637 5.626 9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.504 3.861 10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.771 4.767 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.162 6.621 7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.224 5.802 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.413 5.579 6.292 1.00 0.00 H new ATOM 826 N VAL A 57 1.751 3.575 6.862 1.00 0.00 N ATOM 827 CA VAL A 57 3.194 3.443 7.023 1.00 0.00 C ATOM 828 C VAL A 57 3.916 4.703 6.557 1.00 0.00 C ATOM 829 O VAL A 57 4.043 4.949 5.359 1.00 0.00 O ATOM 830 CB VAL A 57 3.738 2.234 6.239 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.235 2.084 6.460 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.002 0.965 6.641 1.00 0.00 C ATOM 0 H VAL A 57 1.466 4.136 6.059 1.00 0.00 H new ATOM 0 HA VAL A 57 3.382 3.292 8.086 1.00 0.00 H new ATOM 0 HB VAL A 57 3.567 2.405 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.601 1.225 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.745 2.985 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.433 1.935 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.399 0.120 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.140 0.787 7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.939 1.077 6.426 1.00 0.00 H new ATOM 842 N GLU A 58 4.387 5.496 7.514 1.00 0.00 N ATOM 843 CA GLU A 58 5.096 6.731 7.201 1.00 0.00 C ATOM 844 C GLU A 58 6.537 6.442 6.792 1.00 0.00 C ATOM 845 O GLU A 58 7.336 5.954 7.592 1.00 0.00 O ATOM 846 CB GLU A 58 5.076 7.676 8.405 1.00 0.00 C ATOM 847 CG GLU A 58 3.808 7.576 9.236 1.00 0.00 C ATOM 848 CD GLU A 58 3.886 6.489 10.291 1.00 0.00 C ATOM 849 OE1 GLU A 58 5.012 6.053 10.609 1.00 0.00 O ATOM 850 OE2 GLU A 58 2.823 6.076 10.798 1.00 0.00 O ATOM 0 H GLU A 58 4.291 5.306 8.511 1.00 0.00 H new ATOM 0 HA GLU A 58 4.588 7.210 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.935 7.460 9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.190 8.701 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.619 8.534 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.962 7.379 8.578 1.00 0.00 H new ATOM 857 N LEU A 59 6.863 6.747 5.540 1.00 0.00 N ATOM 858 CA LEU A 59 8.207 6.520 5.023 1.00 0.00 C ATOM 859 C LEU A 59 9.161 7.618 5.483 1.00 0.00 C ATOM 860 O LEU A 59 10.290 7.343 5.889 1.00 0.00 O ATOM 861 CB LEU A 59 8.183 6.457 3.494 1.00 0.00 C ATOM 862 CG LEU A 59 7.343 5.335 2.882 1.00 0.00 C ATOM 863 CD1 LEU A 59 7.246 5.504 1.374 1.00 0.00 C ATOM 864 CD2 LEU A 59 7.931 3.976 3.232 1.00 0.00 C ATOM 0 H LEU A 59 6.214 7.152 4.865 1.00 0.00 H new ATOM 0 HA LEU A 59 8.564 5.567 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.811 7.410 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.208 6.352 3.138 1.00 0.00 H new ATOM 0 HG LEU A 59 6.337 5.391 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.645 4.697 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.778 6.461 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.245 5.475 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.320 3.190 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.947 3.908 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.947 3.855 4.315 1.00 0.00 H new ATOM 876 N ASP A 60 8.698 8.861 5.418 1.00 0.00 N ATOM 877 CA ASP A 60 9.507 10.001 5.831 1.00 0.00 C ATOM 878 C ASP A 60 9.893 9.889 7.302 1.00 0.00 C ATOM 879 O ASP A 60 10.755 10.623 7.787 1.00 0.00 O ATOM 880 CB ASP A 60 8.750 11.307 5.587 1.00 0.00 C ATOM 881 CG ASP A 60 9.615 12.531 5.820 1.00 0.00 C ATOM 882 OD1 ASP A 60 9.956 12.802 6.990 1.00 0.00 O ATOM 883 OD2 ASP A 60 9.950 13.216 4.832 1.00 0.00 O ATOM 0 H ASP A 60 7.766 9.105 5.083 1.00 0.00 H new ATOM 0 HA ASP A 60 10.419 10.003 5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.375 11.320 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.882 11.349 6.245 1.00 0.00 H new ATOM 888 N LEU A 61 9.249 8.967 8.009 1.00 0.00 N ATOM 889 CA LEU A 61 9.524 8.759 9.426 1.00 0.00 C ATOM 890 C LEU A 61 10.496 7.601 9.628 1.00 0.00 C ATOM 891 O LEU A 61 11.393 7.669 10.469 1.00 0.00 O ATOM 892 CB LEU A 61 8.223 8.486 10.183 1.00 0.00 C ATOM 893 CG LEU A 61 7.176 9.600 10.142 1.00 0.00 C ATOM 894 CD1 LEU A 61 7.507 10.682 11.158 1.00 0.00 C ATOM 895 CD2 LEU A 61 7.081 10.190 8.743 1.00 0.00 C ATOM 0 H LEU A 61 8.533 8.351 7.624 1.00 0.00 H new ATOM 0 HA LEU A 61 9.983 9.666 9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.775 7.578 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.468 8.284 11.226 1.00 0.00 H new ATOM 0 HG LEU A 61 6.208 9.172 10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.751 11.466 11.114 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.523 10.249 12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.484 11.108 10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.331 10.981 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.048 10.602 8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.795 9.410 8.038 1.00 0.00 H new ATOM 907 N LEU A 62 10.312 6.539 8.852 1.00 0.00 N ATOM 908 CA LEU A 62 11.174 5.366 8.943 1.00 0.00 C ATOM 909 C LEU A 62 12.639 5.751 8.761 1.00 0.00 C ATOM 910 O LEU A 62 12.948 6.825 8.246 1.00 0.00 O ATOM 911 CB LEU A 62 10.773 4.330 7.891 1.00 0.00 C ATOM 912 CG LEU A 62 9.466 3.580 8.153 1.00 0.00 C ATOM 913 CD1 LEU A 62 8.854 3.102 6.845 1.00 0.00 C ATOM 914 CD2 LEU A 62 9.703 2.407 9.093 1.00 0.00 C ATOM 0 H LEU A 62 9.573 6.466 8.152 1.00 0.00 H new ATOM 0 HA LEU A 62 11.052 4.933 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.694 4.832 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.577 3.599 7.804 1.00 0.00 H new ATOM 0 HG LEU A 62 8.765 4.266 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.925 2.571 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.647 3.960 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.551 2.433 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.762 1.885 9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.421 1.720 8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.096 2.774 10.041 1.00 0.00 H new ATOM 926 N GLU A 63 13.535 4.865 9.185 1.00 0.00 N ATOM 927 CA GLU A 63 14.967 5.113 9.066 1.00 0.00 C ATOM 928 C GLU A 63 15.426 4.976 7.617 1.00 0.00 C ATOM 929 O GLU A 63 16.319 5.694 7.167 1.00 0.00 O ATOM 930 CB GLU A 63 15.750 4.143 9.954 1.00 0.00 C ATOM 931 CG GLU A 63 15.759 2.715 9.435 1.00 0.00 C ATOM 932 CD GLU A 63 16.389 1.742 10.413 1.00 0.00 C ATOM 933 OE1 GLU A 63 17.522 2.007 10.866 1.00 0.00 O ATOM 934 OE2 GLU A 63 15.749 0.717 10.725 1.00 0.00 O ATOM 0 H GLU A 63 13.295 3.971 9.613 1.00 0.00 H new ATOM 0 HA GLU A 63 15.161 6.134 9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.778 4.495 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.321 4.154 10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.736 2.402 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.303 2.679 8.491 1.00 0.00 H new ATOM 941 N TYR A 64 14.808 4.049 6.893 1.00 0.00 N ATOM 942 CA TYR A 64 15.153 3.815 5.496 1.00 0.00 C ATOM 943 C TYR A 64 14.071 4.359 4.569 1.00 0.00 C ATOM 944 O TYR A 64 13.804 3.795 3.509 1.00 0.00 O ATOM 945 CB TYR A 64 15.354 2.320 5.242 1.00 0.00 C ATOM 946 CG TYR A 64 14.389 1.441 6.005 1.00 0.00 C ATOM 947 CD1 TYR A 64 13.066 1.316 5.600 1.00 0.00 C ATOM 948 CD2 TYR A 64 14.800 0.738 7.130 1.00 0.00 C ATOM 949 CE1 TYR A 64 12.180 0.514 6.295 1.00 0.00 C ATOM 950 CE2 TYR A 64 13.921 -0.067 7.829 1.00 0.00 C ATOM 951 CZ TYR A 64 12.612 -0.175 7.408 1.00 0.00 C ATOM 952 OH TYR A 64 11.734 -0.975 8.103 1.00 0.00 O ATOM 0 H TYR A 64 14.066 3.448 7.251 1.00 0.00 H new ATOM 0 HA TYR A 64 16.084 4.341 5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 64 15.246 2.123 4.175 1.00 0.00 H new ATOM 0 HB3 TYR A 64 16.374 2.048 5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.724 1.854 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 64 15.824 0.822 7.464 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.154 0.428 5.968 1.00 0.00 H new ATOM 0 HE2 TYR A 64 14.257 -0.609 8.701 1.00 0.00 H new ATOM 0 HH TYR A 64 12.198 -1.390 8.860 1.00 0.00 H new ATOM 962 N GLY A 65 13.450 5.461 4.977 1.00 0.00 N ATOM 963 CA GLY A 65 12.404 6.065 4.172 1.00 0.00 C ATOM 964 C GLY A 65 12.870 6.396 2.769 1.00 0.00 C ATOM 965 O GLY A 65 12.171 6.123 1.794 1.00 0.00 O ATOM 0 H GLY A 65 13.652 5.947 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.553 5.386 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.055 6.975 4.660 1.00 0.00 H new ATOM 969 N ASN A 66 14.055 6.989 2.665 1.00 0.00 N ATOM 970 CA ASN A 66 14.614 7.360 1.370 1.00 0.00 C ATOM 971 C ASN A 66 14.646 6.161 0.428 1.00 0.00 C ATOM 972 O ASN A 66 14.649 6.320 -0.793 1.00 0.00 O ATOM 973 CB ASN A 66 16.025 7.926 1.543 1.00 0.00 C ATOM 974 CG ASN A 66 17.066 6.837 1.721 1.00 0.00 C ATOM 975 OD1 ASN A 66 17.395 6.455 2.844 1.00 0.00 O ATOM 976 ND2 ASN A 66 17.591 6.333 0.610 1.00 0.00 N ATOM 0 H ASN A 66 14.647 7.223 3.462 1.00 0.00 H new ATOM 0 HA ASN A 66 13.974 8.126 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 66 16.280 8.531 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.044 8.589 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.297 5.599 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.288 6.680 -0.300 1.00 0.00 H new ATOM 983 N GLN A 67 14.670 4.964 1.003 1.00 0.00 N ATOM 984 CA GLN A 67 14.702 3.738 0.214 1.00 0.00 C ATOM 985 C GLN A 67 13.300 3.344 -0.238 1.00 0.00 C ATOM 986 O GLN A 67 12.970 3.431 -1.421 1.00 0.00 O ATOM 987 CB GLN A 67 15.328 2.601 1.024 1.00 0.00 C ATOM 988 CG GLN A 67 16.831 2.738 1.203 1.00 0.00 C ATOM 989 CD GLN A 67 17.614 2.076 0.086 1.00 0.00 C ATOM 990 OE1 GLN A 67 17.802 0.859 0.081 1.00 0.00 O ATOM 991 NE2 GLN A 67 18.077 2.876 -0.867 1.00 0.00 N ATOM 0 H GLN A 67 14.668 4.816 2.012 1.00 0.00 H new ATOM 0 HA GLN A 67 15.311 3.922 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.856 2.562 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.114 1.653 0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.093 3.795 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.121 2.297 2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 67 17.897 3.879 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.612 2.488 -1.643 1.00 0.00 H new ATOM 1000 N PHE A 68 12.477 2.911 0.712 1.00 0.00 N ATOM 1001 CA PHE A 68 11.110 2.503 0.412 1.00 0.00 C ATOM 1002 C PHE A 68 10.377 3.589 -0.370 1.00 0.00 C ATOM 1003 O PHE A 68 9.383 3.319 -1.043 1.00 0.00 O ATOM 1004 CB PHE A 68 10.353 2.190 1.704 1.00 0.00 C ATOM 1005 CG PHE A 68 10.662 0.832 2.267 1.00 0.00 C ATOM 1006 CD1 PHE A 68 11.966 0.366 2.310 1.00 0.00 C ATOM 1007 CD2 PHE A 68 9.648 0.022 2.752 1.00 0.00 C ATOM 1008 CE1 PHE A 68 12.254 -0.883 2.828 1.00 0.00 C ATOM 1009 CE2 PHE A 68 9.930 -1.228 3.271 1.00 0.00 C ATOM 1010 CZ PHE A 68 11.234 -1.681 3.308 1.00 0.00 C ATOM 0 H PHE A 68 12.734 2.834 1.696 1.00 0.00 H new ATOM 0 HA PHE A 68 11.153 1.604 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.595 2.947 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.282 2.261 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.767 0.986 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.626 0.371 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.275 -1.234 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.131 -1.850 3.647 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.456 -2.658 3.712 1.00 0.00 H new ATOM 1020 N GLN A 69 10.877 4.817 -0.276 1.00 0.00 N ATOM 1021 CA GLN A 69 10.269 5.944 -0.973 1.00 0.00 C ATOM 1022 C GLN A 69 10.471 5.824 -2.480 1.00 0.00 C ATOM 1023 O GLN A 69 9.552 6.070 -3.261 1.00 0.00 O ATOM 1024 CB GLN A 69 10.861 7.261 -0.470 1.00 0.00 C ATOM 1025 CG GLN A 69 10.102 7.861 0.703 1.00 0.00 C ATOM 1026 CD GLN A 69 10.492 9.300 0.977 1.00 0.00 C ATOM 1027 OE1 GLN A 69 10.067 10.215 0.272 1.00 0.00 O ATOM 1028 NE2 GLN A 69 11.306 9.507 2.005 1.00 0.00 N ATOM 0 H GLN A 69 11.701 5.057 0.276 1.00 0.00 H new ATOM 0 HA GLN A 69 9.199 5.933 -0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.897 7.095 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.875 7.980 -1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.032 7.811 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.287 7.262 1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.634 8.718 2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.603 10.455 2.237 1.00 0.00 H new ATOM 1037 N ASP A 70 11.680 5.447 -2.882 1.00 0.00 N ATOM 1038 CA ASP A 70 12.003 5.295 -4.296 1.00 0.00 C ATOM 1039 C ASP A 70 11.294 4.080 -4.887 1.00 0.00 C ATOM 1040 O ASP A 70 10.716 4.154 -5.971 1.00 0.00 O ATOM 1041 CB ASP A 70 13.515 5.160 -4.484 1.00 0.00 C ATOM 1042 CG ASP A 70 13.912 5.083 -5.945 1.00 0.00 C ATOM 1043 OD1 ASP A 70 13.893 3.968 -6.506 1.00 0.00 O ATOM 1044 OD2 ASP A 70 14.243 6.138 -6.526 1.00 0.00 O ATOM 0 H ASP A 70 12.452 5.241 -2.249 1.00 0.00 H new ATOM 0 HA ASP A 70 11.658 6.186 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 70 14.013 6.011 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.864 4.266 -3.968 1.00 0.00 H new ATOM 1049 N ALA A 71 11.345 2.964 -4.168 1.00 0.00 N ATOM 1050 CA ALA A 71 10.707 1.734 -4.621 1.00 0.00 C ATOM 1051 C ALA A 71 9.233 1.965 -4.939 1.00 0.00 C ATOM 1052 O ALA A 71 8.728 1.499 -5.962 1.00 0.00 O ATOM 1053 CB ALA A 71 10.857 0.643 -3.571 1.00 0.00 C ATOM 0 H ALA A 71 11.821 2.886 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 71 11.204 1.413 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.376 -0.269 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.915 0.450 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.387 0.965 -2.642 1.00 0.00 H new ATOM 1059 N LEU A 72 8.549 2.685 -4.058 1.00 0.00 N ATOM 1060 CA LEU A 72 7.131 2.978 -4.245 1.00 0.00 C ATOM 1061 C LEU A 72 6.918 3.888 -5.451 1.00 0.00 C ATOM 1062 O LEU A 72 6.055 3.630 -6.291 1.00 0.00 O ATOM 1063 CB LEU A 72 6.555 3.633 -2.989 1.00 0.00 C ATOM 1064 CG LEU A 72 6.216 2.688 -1.835 1.00 0.00 C ATOM 1065 CD1 LEU A 72 5.999 3.472 -0.550 1.00 0.00 C ATOM 1066 CD2 LEU A 72 4.984 1.859 -2.170 1.00 0.00 C ATOM 0 H LEU A 72 8.952 3.077 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 72 6.612 2.037 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.270 4.373 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.650 4.173 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 72 7.057 2.010 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.759 2.783 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.907 4.022 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.176 4.173 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.757 1.192 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.136 2.521 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.175 1.269 -3.066 1.00 0.00 H new ATOM 1078 N TYR A 73 7.710 4.951 -5.530 1.00 0.00 N ATOM 1079 CA TYR A 73 7.607 5.900 -6.632 1.00 0.00 C ATOM 1080 C TYR A 73 7.638 5.179 -7.976 1.00 0.00 C ATOM 1081 O TYR A 73 7.125 5.681 -8.977 1.00 0.00 O ATOM 1082 CB TYR A 73 8.744 6.921 -6.562 1.00 0.00 C ATOM 1083 CG TYR A 73 9.003 7.630 -7.872 1.00 0.00 C ATOM 1084 CD1 TYR A 73 8.296 8.777 -8.215 1.00 0.00 C ATOM 1085 CD2 TYR A 73 9.954 7.155 -8.766 1.00 0.00 C ATOM 1086 CE1 TYR A 73 8.529 9.428 -9.411 1.00 0.00 C ATOM 1087 CE2 TYR A 73 10.194 7.801 -9.964 1.00 0.00 C ATOM 1088 CZ TYR A 73 9.479 8.936 -10.282 1.00 0.00 C ATOM 1089 OH TYR A 73 9.714 9.583 -11.473 1.00 0.00 O ATOM 0 H TYR A 73 8.430 5.177 -4.844 1.00 0.00 H new ATOM 0 HA TYR A 73 6.654 6.421 -6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.509 7.662 -5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.656 6.415 -6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.552 9.166 -7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.516 6.266 -8.521 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.970 10.317 -9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.938 7.419 -10.647 1.00 0.00 H new ATOM 0 HH TYR A 73 10.413 9.109 -11.970 1.00 0.00 H new ATOM 1099 N LYS A 74 8.244 3.996 -7.992 1.00 0.00 N ATOM 1100 CA LYS A 74 8.342 3.202 -9.211 1.00 0.00 C ATOM 1101 C LYS A 74 7.079 2.375 -9.424 1.00 0.00 C ATOM 1102 O LYS A 74 6.481 2.403 -10.500 1.00 0.00 O ATOM 1103 CB LYS A 74 9.563 2.282 -9.148 1.00 0.00 C ATOM 1104 CG LYS A 74 10.881 3.027 -9.022 1.00 0.00 C ATOM 1105 CD LYS A 74 12.007 2.101 -8.595 1.00 0.00 C ATOM 1106 CE LYS A 74 13.349 2.570 -9.134 1.00 0.00 C ATOM 1107 NZ LYS A 74 14.474 1.740 -8.621 1.00 0.00 N ATOM 0 H LYS A 74 8.675 3.566 -7.174 1.00 0.00 H new ATOM 0 HA LYS A 74 8.453 3.886 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.455 1.606 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.589 1.665 -10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.131 3.489 -9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.776 3.833 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.047 2.053 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.804 1.091 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.336 2.531 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.509 3.611 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.252 1.744 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.810 2.131 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.147 0.764 -8.475 1.00 0.00 H new ATOM 1121 N MET A 75 6.677 1.639 -8.393 1.00 0.00 N ATOM 1122 CA MET A 75 5.483 0.806 -8.467 1.00 0.00 C ATOM 1123 C MET A 75 4.248 1.651 -8.763 1.00 0.00 C ATOM 1124 O MET A 75 3.224 1.137 -9.215 1.00 0.00 O ATOM 1125 CB MET A 75 5.289 0.037 -7.159 1.00 0.00 C ATOM 1126 CG MET A 75 6.520 -0.739 -6.721 1.00 0.00 C ATOM 1127 SD MET A 75 6.110 -2.217 -5.774 1.00 0.00 S ATOM 1128 CE MET A 75 5.062 -1.521 -4.498 1.00 0.00 C ATOM 0 H MET A 75 7.161 1.603 -7.496 1.00 0.00 H new ATOM 0 HA MET A 75 5.617 0.094 -9.281 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.013 0.739 -6.372 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.455 -0.656 -7.275 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.097 -1.025 -7.601 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.157 -0.092 -6.119 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.843 -2.284 -3.751 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.574 -0.684 -4.023 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.131 -1.171 -4.943 1.00 0.00 H new ATOM 1138 N THR A 76 4.350 2.951 -8.503 1.00 0.00 N ATOM 1139 CA THR A 76 3.241 3.867 -8.740 1.00 0.00 C ATOM 1140 C THR A 76 3.471 4.695 -9.998 1.00 0.00 C ATOM 1141 O THR A 76 2.561 4.883 -10.805 1.00 0.00 O ATOM 1142 CB THR A 76 3.032 4.816 -7.545 1.00 0.00 C ATOM 1143 OG1 THR A 76 4.042 5.830 -7.543 1.00 0.00 O ATOM 1144 CG2 THR A 76 3.072 4.050 -6.231 1.00 0.00 C ATOM 0 H THR A 76 5.189 3.393 -8.128 1.00 0.00 H new ATOM 0 HA THR A 76 2.348 3.256 -8.870 1.00 0.00 H new ATOM 0 HB THR A 76 2.051 5.281 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.632 6.700 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.922 4.742 -5.402 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.283 3.298 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.040 3.560 -6.125 1.00 0.00 H new ATOM 1152 N GLY A 77 4.695 5.190 -10.161 1.00 0.00 N ATOM 1153 CA GLY A 77 5.022 5.992 -11.325 1.00 0.00 C ATOM 1154 C GLY A 77 5.148 7.466 -10.995 1.00 0.00 C ATOM 1155 O GLY A 77 5.803 8.216 -11.718 1.00 0.00 O ATOM 0 H GLY A 77 5.465 5.050 -9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.959 5.638 -11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.251 5.857 -12.084 1.00 0.00 H new ATOM 1159 N GLU A 78 4.518 7.883 -9.901 1.00 0.00 N ATOM 1160 CA GLU A 78 4.562 9.278 -9.480 1.00 0.00 C ATOM 1161 C GLU A 78 4.976 9.392 -8.016 1.00 0.00 C ATOM 1162 O GLU A 78 4.863 8.433 -7.252 1.00 0.00 O ATOM 1163 CB GLU A 78 3.198 9.940 -9.689 1.00 0.00 C ATOM 1164 CG GLU A 78 3.282 11.429 -9.980 1.00 0.00 C ATOM 1165 CD GLU A 78 3.689 11.721 -11.411 1.00 0.00 C ATOM 1166 OE1 GLU A 78 4.902 11.677 -11.702 1.00 0.00 O ATOM 1167 OE2 GLU A 78 2.795 11.994 -12.239 1.00 0.00 O ATOM 0 H GLU A 78 3.972 7.275 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 78 5.305 9.792 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.686 9.445 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.589 9.786 -8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.315 11.890 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.000 11.888 -9.301 1.00 0.00 H new ATOM 1174 N ARG A 79 5.455 10.571 -7.632 1.00 0.00 N ATOM 1175 CA ARG A 79 5.888 10.810 -6.261 1.00 0.00 C ATOM 1176 C ARG A 79 4.807 11.540 -5.469 1.00 0.00 C ATOM 1177 O ARG A 79 5.074 12.549 -4.816 1.00 0.00 O ATOM 1178 CB ARG A 79 7.183 11.624 -6.247 1.00 0.00 C ATOM 1179 CG ARG A 79 7.048 12.994 -6.892 1.00 0.00 C ATOM 1180 CD ARG A 79 8.072 13.973 -6.340 1.00 0.00 C ATOM 1181 NE ARG A 79 8.079 15.233 -7.078 1.00 0.00 N ATOM 1182 CZ ARG A 79 8.796 16.292 -6.719 1.00 0.00 C ATOM 1183 NH1 ARG A 79 9.562 16.242 -5.637 1.00 0.00 N ATOM 1184 NH2 ARG A 79 8.749 17.403 -7.442 1.00 0.00 N ATOM 0 H ARG A 79 5.553 11.375 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 79 6.069 9.844 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.513 11.748 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.961 11.063 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.174 12.903 -7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.044 13.381 -6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.856 14.169 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.064 13.523 -6.383 1.00 0.00 H new ATOM 0 HE ARG A 79 7.501 15.304 -7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.601 15.389 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.112 17.056 -5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.162 17.445 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.300 18.215 -7.165 1.00 0.00 H new ATOM 1198 N THR A 80 3.583 11.023 -5.532 1.00 0.00 N ATOM 1199 CA THR A 80 2.462 11.626 -4.824 1.00 0.00 C ATOM 1200 C THR A 80 2.193 10.907 -3.507 1.00 0.00 C ATOM 1201 O THR A 80 2.820 9.892 -3.203 1.00 0.00 O ATOM 1202 CB THR A 80 1.180 11.604 -5.678 1.00 0.00 C ATOM 1203 OG1 THR A 80 0.941 10.280 -6.169 1.00 0.00 O ATOM 1204 CG2 THR A 80 1.293 12.571 -6.847 1.00 0.00 C ATOM 0 H THR A 80 3.344 10.188 -6.067 1.00 0.00 H new ATOM 0 HA THR A 80 2.737 12.661 -4.621 1.00 0.00 H new ATOM 0 HB THR A 80 0.345 11.914 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.340 10.321 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.376 12.538 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.446 13.582 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.138 12.286 -7.474 1.00 0.00 H new ATOM 1212 N VAL A 81 1.256 11.438 -2.728 1.00 0.00 N ATOM 1213 CA VAL A 81 0.903 10.846 -1.443 1.00 0.00 C ATOM 1214 C VAL A 81 -0.392 11.441 -0.901 1.00 0.00 C ATOM 1215 O VAL A 81 -0.773 12.564 -1.230 1.00 0.00 O ATOM 1216 CB VAL A 81 2.023 11.048 -0.405 1.00 0.00 C ATOM 1217 CG1 VAL A 81 3.144 10.044 -0.626 1.00 0.00 C ATOM 1218 CG2 VAL A 81 2.552 12.472 -0.463 1.00 0.00 C ATOM 0 H VAL A 81 0.727 12.278 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 81 0.765 9.778 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 81 1.608 10.879 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.926 10.202 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.751 9.032 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.560 10.177 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.343 12.597 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.951 12.672 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.742 13.170 -0.250 1.00 0.00 H new ATOM 1228 N PRO A 82 -1.085 10.672 -0.049 1.00 0.00 N ATOM 1229 CA PRO A 82 -0.641 9.333 0.350 1.00 0.00 C ATOM 1230 C PRO A 82 -0.738 8.326 -0.791 1.00 0.00 C ATOM 1231 O PRO A 82 -1.143 8.670 -1.902 1.00 0.00 O ATOM 1232 CB PRO A 82 -1.607 8.959 1.476 1.00 0.00 C ATOM 1233 CG PRO A 82 -2.832 9.763 1.207 1.00 0.00 C ATOM 1234 CD PRO A 82 -2.356 11.049 0.592 1.00 0.00 C ATOM 0 HA PRO A 82 0.407 9.324 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.826 7.891 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.186 9.194 2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.506 9.234 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.385 9.952 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.072 11.437 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.212 11.825 1.344 1.00 0.00 H new ATOM 1242 N ARG A 83 -0.365 7.082 -0.510 1.00 0.00 N ATOM 1243 CA ARG A 83 -0.410 6.026 -1.514 1.00 0.00 C ATOM 1244 C ARG A 83 -1.257 4.852 -1.031 1.00 0.00 C ATOM 1245 O ARG A 83 -0.906 4.177 -0.063 1.00 0.00 O ATOM 1246 CB ARG A 83 1.004 5.546 -1.844 1.00 0.00 C ATOM 1247 CG ARG A 83 1.991 6.677 -2.084 1.00 0.00 C ATOM 1248 CD ARG A 83 1.995 7.114 -3.540 1.00 0.00 C ATOM 1249 NE ARG A 83 0.780 7.842 -3.897 1.00 0.00 N ATOM 1250 CZ ARG A 83 0.307 7.920 -5.135 1.00 0.00 C ATOM 1251 NH1 ARG A 83 0.942 7.317 -6.131 1.00 0.00 N ATOM 1252 NH2 ARG A 83 -0.805 8.602 -5.380 1.00 0.00 N ATOM 0 H ARG A 83 -0.028 6.781 0.404 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.867 6.435 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.368 4.925 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.966 4.914 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.735 7.525 -1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.992 6.355 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.864 7.745 -3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.094 6.238 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 83 0.267 8.317 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.796 6.791 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.576 7.379 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.297 9.067 -4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.168 8.661 -6.331 1.00 0.00 H new ATOM 1266 N ILE A 84 -2.374 4.615 -1.711 1.00 0.00 N ATOM 1267 CA ILE A 84 -3.270 3.523 -1.352 1.00 0.00 C ATOM 1268 C ILE A 84 -3.074 2.325 -2.274 1.00 0.00 C ATOM 1269 O ILE A 84 -2.924 2.478 -3.486 1.00 0.00 O ATOM 1270 CB ILE A 84 -4.745 3.964 -1.408 1.00 0.00 C ATOM 1271 CG1 ILE A 84 -4.979 5.157 -0.480 1.00 0.00 C ATOM 1272 CG2 ILE A 84 -5.658 2.806 -1.032 1.00 0.00 C ATOM 1273 CD1 ILE A 84 -4.768 6.496 -1.152 1.00 0.00 C ATOM 0 H ILE A 84 -2.680 5.165 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.023 3.236 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.979 4.270 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.996 5.111 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.308 5.079 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.697 3.133 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.507 1.982 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.425 2.473 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.951 7.296 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.743 6.563 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.458 6.595 -1.990 1.00 0.00 H new ATOM 1285 N PHE A 85 -3.076 1.130 -1.691 1.00 0.00 N ATOM 1286 CA PHE A 85 -2.899 -0.096 -2.459 1.00 0.00 C ATOM 1287 C PHE A 85 -3.854 -1.184 -1.976 1.00 0.00 C ATOM 1288 O PHE A 85 -3.820 -1.582 -0.811 1.00 0.00 O ATOM 1289 CB PHE A 85 -1.454 -0.586 -2.353 1.00 0.00 C ATOM 1290 CG PHE A 85 -0.506 0.140 -3.264 1.00 0.00 C ATOM 1291 CD1 PHE A 85 -0.168 1.462 -3.023 1.00 0.00 C ATOM 1292 CD2 PHE A 85 0.047 -0.499 -4.362 1.00 0.00 C ATOM 1293 CE1 PHE A 85 0.704 2.133 -3.860 1.00 0.00 C ATOM 1294 CE2 PHE A 85 0.919 0.166 -5.203 1.00 0.00 C ATOM 1295 CZ PHE A 85 1.249 1.484 -4.951 1.00 0.00 C ATOM 0 H PHE A 85 -3.198 0.985 -0.689 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.125 0.124 -3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.115 -0.472 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.422 -1.651 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.591 1.974 -2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.207 -1.529 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.959 3.163 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.342 -0.344 -6.056 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.932 2.006 -5.606 1.00 0.00 H new ATOM 1305 N VAL A 86 -4.705 -1.660 -2.879 1.00 0.00 N ATOM 1306 CA VAL A 86 -5.669 -2.702 -2.546 1.00 0.00 C ATOM 1307 C VAL A 86 -5.219 -4.058 -3.080 1.00 0.00 C ATOM 1308 O VAL A 86 -5.109 -4.254 -4.289 1.00 0.00 O ATOM 1309 CB VAL A 86 -7.064 -2.377 -3.111 1.00 0.00 C ATOM 1310 CG1 VAL A 86 -8.023 -3.531 -2.862 1.00 0.00 C ATOM 1311 CG2 VAL A 86 -7.598 -1.089 -2.502 1.00 0.00 C ATOM 0 H VAL A 86 -4.747 -1.341 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.727 -2.744 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.977 -2.234 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.004 -3.283 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.645 -4.430 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.109 -3.708 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.585 -0.874 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.671 -1.201 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.921 -0.268 -2.736 1.00 0.00 H new ATOM 1321 N ASN A 87 -4.962 -4.991 -2.169 1.00 0.00 N ATOM 1322 CA ASN A 87 -4.524 -6.329 -2.548 1.00 0.00 C ATOM 1323 C ASN A 87 -3.302 -6.264 -3.460 1.00 0.00 C ATOM 1324 O ASN A 87 -3.199 -7.011 -4.431 1.00 0.00 O ATOM 1325 CB ASN A 87 -5.658 -7.079 -3.250 1.00 0.00 C ATOM 1326 CG ASN A 87 -5.578 -8.579 -3.036 1.00 0.00 C ATOM 1327 OD1 ASN A 87 -4.493 -9.137 -2.871 1.00 0.00 O ATOM 1328 ND2 ASN A 87 -6.731 -9.238 -3.039 1.00 0.00 N ATOM 0 H ASN A 87 -5.050 -4.845 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.249 -6.865 -1.640 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.616 -6.712 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.625 -6.865 -4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.741 -10.249 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.606 -8.734 -3.180 1.00 0.00 H new ATOM 1335 N GLY A 88 -2.377 -5.364 -3.137 1.00 0.00 N ATOM 1336 CA GLY A 88 -1.175 -5.218 -3.936 1.00 0.00 C ATOM 1337 C GLY A 88 -1.456 -4.641 -5.309 1.00 0.00 C ATOM 1338 O GLY A 88 -0.909 -5.103 -6.310 1.00 0.00 O ATOM 0 H GLY A 88 -2.439 -4.734 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.470 -4.572 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.695 -6.191 -4.046 1.00 0.00 H new ATOM 1342 N THR A 89 -2.315 -3.627 -5.358 1.00 0.00 N ATOM 1343 CA THR A 89 -2.672 -2.988 -6.618 1.00 0.00 C ATOM 1344 C THR A 89 -2.964 -1.505 -6.419 1.00 0.00 C ATOM 1345 O THR A 89 -3.741 -1.127 -5.542 1.00 0.00 O ATOM 1346 CB THR A 89 -3.900 -3.659 -7.261 1.00 0.00 C ATOM 1347 OG1 THR A 89 -3.571 -4.991 -7.672 1.00 0.00 O ATOM 1348 CG2 THR A 89 -4.389 -2.859 -8.459 1.00 0.00 C ATOM 0 H THR A 89 -2.776 -3.231 -4.539 1.00 0.00 H new ATOM 0 HA THR A 89 -1.816 -3.101 -7.283 1.00 0.00 H new ATOM 0 HB THR A 89 -4.697 -3.695 -6.519 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.357 -5.412 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.257 -3.353 -8.896 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.666 -1.855 -8.137 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.595 -2.795 -9.203 1.00 0.00 H new ATOM 1356 N PHE A 90 -2.337 -0.668 -7.239 1.00 0.00 N ATOM 1357 CA PHE A 90 -2.529 0.775 -7.152 1.00 0.00 C ATOM 1358 C PHE A 90 -3.860 1.185 -7.778 1.00 0.00 C ATOM 1359 O PHE A 90 -3.930 1.490 -8.969 1.00 0.00 O ATOM 1360 CB PHE A 90 -1.379 1.507 -7.847 1.00 0.00 C ATOM 1361 CG PHE A 90 -1.463 3.002 -7.730 1.00 0.00 C ATOM 1362 CD1 PHE A 90 -0.918 3.657 -6.638 1.00 0.00 C ATOM 1363 CD2 PHE A 90 -2.088 3.753 -8.713 1.00 0.00 C ATOM 1364 CE1 PHE A 90 -0.993 5.033 -6.528 1.00 0.00 C ATOM 1365 CE2 PHE A 90 -2.166 5.129 -8.609 1.00 0.00 C ATOM 1366 CZ PHE A 90 -1.619 5.770 -7.514 1.00 0.00 C ATOM 0 H PHE A 90 -1.692 -0.964 -7.971 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.542 1.052 -6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.434 1.170 -7.421 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.369 1.233 -8.902 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.429 3.086 -5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.519 3.257 -9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.562 5.531 -5.672 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.654 5.703 -9.383 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.681 6.845 -7.429 1.00 0.00 H new ATOM 1376 N ILE A 91 -4.912 1.188 -6.966 1.00 0.00 N ATOM 1377 CA ILE A 91 -6.239 1.561 -7.439 1.00 0.00 C ATOM 1378 C ILE A 91 -6.287 3.030 -7.844 1.00 0.00 C ATOM 1379 O ILE A 91 -7.107 3.432 -8.668 1.00 0.00 O ATOM 1380 CB ILE A 91 -7.313 1.300 -6.366 1.00 0.00 C ATOM 1381 CG1 ILE A 91 -7.167 2.298 -5.215 1.00 0.00 C ATOM 1382 CG2 ILE A 91 -7.212 -0.128 -5.851 1.00 0.00 C ATOM 1383 CD1 ILE A 91 -5.965 2.034 -4.335 1.00 0.00 C ATOM 0 H ILE A 91 -4.871 0.937 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.449 0.940 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.296 1.434 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.093 3.305 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.069 2.269 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.977 -0.297 -5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.359 -0.824 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.227 -0.288 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.925 2.780 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.047 1.040 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.056 2.092 -4.934 1.00 0.00 H new ATOM 1395 N GLY A 92 -5.399 3.829 -7.259 1.00 0.00 N ATOM 1396 CA GLY A 92 -5.355 5.245 -7.572 1.00 0.00 C ATOM 1397 C GLY A 92 -4.866 6.082 -6.406 1.00 0.00 C ATOM 1398 O GLY A 92 -4.795 5.602 -5.276 1.00 0.00 O ATOM 0 H GLY A 92 -4.709 3.520 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.701 5.404 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.350 5.580 -7.864 1.00 0.00 H new ATOM 1402 N GLY A 93 -4.527 7.337 -6.683 1.00 0.00 N ATOM 1403 CA GLY A 93 -4.045 8.222 -5.638 1.00 0.00 C ATOM 1404 C GLY A 93 -5.127 8.587 -4.642 1.00 0.00 C ATOM 1405 O GLY A 93 -6.305 8.306 -4.864 1.00 0.00 O ATOM 0 H GLY A 93 -4.577 7.757 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.219 7.743 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.650 9.132 -6.090 1.00 0.00 H new ATOM 1409 N ALA A 94 -4.728 9.212 -3.539 1.00 0.00 N ATOM 1410 CA ALA A 94 -5.673 9.616 -2.505 1.00 0.00 C ATOM 1411 C ALA A 94 -6.995 10.067 -3.116 1.00 0.00 C ATOM 1412 O ALA A 94 -8.044 9.474 -2.860 1.00 0.00 O ATOM 1413 CB ALA A 94 -5.078 10.725 -1.651 1.00 0.00 C ATOM 0 H ALA A 94 -3.757 9.450 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.872 8.752 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.794 11.017 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.163 10.368 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.849 11.586 -2.280 1.00 0.00 H new ATOM 1419 N THR A 95 -6.940 11.121 -3.924 1.00 0.00 N ATOM 1420 CA THR A 95 -8.133 11.653 -4.569 1.00 0.00 C ATOM 1421 C THR A 95 -8.925 10.547 -5.257 1.00 0.00 C ATOM 1422 O THR A 95 -10.029 10.205 -4.833 1.00 0.00 O ATOM 1423 CB THR A 95 -7.776 12.734 -5.607 1.00 0.00 C ATOM 1424 OG1 THR A 95 -6.670 13.514 -5.140 1.00 0.00 O ATOM 1425 CG2 THR A 95 -8.967 13.643 -5.872 1.00 0.00 C ATOM 0 H THR A 95 -6.081 11.623 -4.147 1.00 0.00 H new ATOM 0 HA THR A 95 -8.744 12.100 -3.785 1.00 0.00 H new ATOM 0 HB THR A 95 -7.503 12.237 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.448 14.198 -5.806 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.692 14.398 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.799 13.051 -6.254 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.265 14.132 -4.944 1.00 0.00 H new ATOM 1433 N ASP A 96 -8.355 9.991 -6.320 1.00 0.00 N ATOM 1434 CA ASP A 96 -9.008 8.921 -7.066 1.00 0.00 C ATOM 1435 C ASP A 96 -9.687 7.935 -6.121 1.00 0.00 C ATOM 1436 O ASP A 96 -10.895 7.709 -6.203 1.00 0.00 O ATOM 1437 CB ASP A 96 -7.991 8.188 -7.944 1.00 0.00 C ATOM 1438 CG ASP A 96 -8.644 7.175 -8.863 1.00 0.00 C ATOM 1439 OD1 ASP A 96 -9.336 6.269 -8.353 1.00 0.00 O ATOM 1440 OD2 ASP A 96 -8.465 7.289 -10.094 1.00 0.00 O ATOM 0 H ASP A 96 -7.442 10.263 -6.685 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.770 9.369 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.441 8.915 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.264 7.682 -7.308 1.00 0.00 H new ATOM 1445 N THR A 97 -8.902 7.348 -5.223 1.00 0.00 N ATOM 1446 CA THR A 97 -9.426 6.384 -4.263 1.00 0.00 C ATOM 1447 C THR A 97 -10.747 6.861 -3.671 1.00 0.00 C ATOM 1448 O THR A 97 -11.749 6.146 -3.705 1.00 0.00 O ATOM 1449 CB THR A 97 -8.426 6.129 -3.120 1.00 0.00 C ATOM 1450 OG1 THR A 97 -7.237 5.520 -3.635 1.00 0.00 O ATOM 1451 CG2 THR A 97 -9.039 5.234 -2.054 1.00 0.00 C ATOM 0 H THR A 97 -7.901 7.523 -5.140 1.00 0.00 H new ATOM 0 HA THR A 97 -9.590 5.453 -4.806 1.00 0.00 H new ATOM 0 HB THR A 97 -8.175 7.088 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.727 6.181 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.314 5.068 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.927 5.714 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.316 4.278 -2.497 1.00 0.00 H new ATOM 1459 N HIS A 98 -10.743 8.075 -3.128 1.00 0.00 N ATOM 1460 CA HIS A 98 -11.943 8.648 -2.528 1.00 0.00 C ATOM 1461 C HIS A 98 -13.131 8.538 -3.479 1.00 0.00 C ATOM 1462 O HIS A 98 -14.254 8.264 -3.056 1.00 0.00 O ATOM 1463 CB HIS A 98 -11.704 10.112 -2.159 1.00 0.00 C ATOM 1464 CG HIS A 98 -12.905 10.784 -1.566 1.00 0.00 C ATOM 1465 ND1 HIS A 98 -13.820 10.125 -0.772 1.00 0.00 N ATOM 1466 CD2 HIS A 98 -13.337 12.063 -1.654 1.00 0.00 C ATOM 1467 CE1 HIS A 98 -14.764 10.970 -0.399 1.00 0.00 C ATOM 1468 NE2 HIS A 98 -14.494 12.154 -0.920 1.00 0.00 N ATOM 0 H HIS A 98 -9.923 8.680 -3.091 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.172 8.085 -1.623 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -10.878 10.169 -1.450 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.396 10.657 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -12.860 12.864 -2.200 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.613 10.733 0.226 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -15.054 12.998 -0.797 1.00 0.00 H new ATOM 1476 N ARG A 99 -12.875 8.754 -4.766 1.00 0.00 N ATOM 1477 CA ARG A 99 -13.924 8.682 -5.776 1.00 0.00 C ATOM 1478 C ARG A 99 -14.462 7.259 -5.899 1.00 0.00 C ATOM 1479 O ARG A 99 -15.672 7.047 -5.987 1.00 0.00 O ATOM 1480 CB ARG A 99 -13.391 9.156 -7.129 1.00 0.00 C ATOM 1481 CG ARG A 99 -14.473 9.323 -8.184 1.00 0.00 C ATOM 1482 CD ARG A 99 -13.897 9.241 -9.590 1.00 0.00 C ATOM 1483 NE ARG A 99 -14.903 9.523 -10.610 1.00 0.00 N ATOM 1484 CZ ARG A 99 -14.608 9.939 -11.837 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.344 10.118 -12.194 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -15.579 10.175 -12.710 1.00 0.00 N ATOM 0 H ARG A 99 -11.951 8.980 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.740 9.335 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.876 10.107 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.651 8.441 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.231 8.551 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.970 10.284 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.074 9.949 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.482 8.246 -9.755 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.885 9.394 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.595 9.936 -11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.121 10.437 -13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.553 10.037 -12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.352 10.494 -13.652 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.556 6.288 -5.906 1.00 0.00 N ATOM 1501 CA LEU A 100 -13.939 4.885 -6.019 1.00 0.00 C ATOM 1502 C LEU A 100 -15.070 4.550 -5.052 1.00 0.00 C ATOM 1503 O LEU A 100 -16.091 3.985 -5.447 1.00 0.00 O ATOM 1504 CB LEU A 100 -12.734 3.983 -5.744 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.568 4.103 -6.725 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.375 3.295 -6.239 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.991 3.650 -8.115 1.00 0.00 C ATOM 0 H LEU A 100 -12.551 6.446 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.291 4.711 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.364 4.201 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.074 2.947 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.272 5.151 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.555 3.393 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.057 3.666 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.657 2.246 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.148 3.742 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.314 2.610 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.814 4.273 -8.466 1.00 0.00 H new ATOM 1519 N HIS A 101 -14.883 4.903 -3.785 1.00 0.00 N ATOM 1520 CA HIS A 101 -15.890 4.642 -2.762 1.00 0.00 C ATOM 1521 C HIS A 101 -17.244 5.211 -3.174 1.00 0.00 C ATOM 1522 O HIS A 101 -18.218 4.475 -3.331 1.00 0.00 O ATOM 1523 CB HIS A 101 -15.456 5.243 -1.425 1.00 0.00 C ATOM 1524 CG HIS A 101 -16.184 4.672 -0.247 1.00 0.00 C ATOM 1525 ND1 HIS A 101 -16.504 3.335 -0.136 1.00 0.00 N ATOM 1526 CD2 HIS A 101 -16.652 5.264 0.877 1.00 0.00 C ATOM 1527 CE1 HIS A 101 -17.140 3.130 1.004 1.00 0.00 C ATOM 1528 NE2 HIS A 101 -17.242 4.284 1.637 1.00 0.00 N ATOM 0 H HIS A 101 -14.044 5.370 -3.441 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.989 3.562 -2.652 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.386 5.081 -1.294 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.615 6.321 -1.452 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -16.284 2.617 -0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -16.576 6.311 1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -17.513 2.180 1.358 1.00 0.00 H new ATOM 1536 N LYS A 102 -17.298 6.528 -3.348 1.00 0.00 N ATOM 1537 CA LYS A 102 -18.532 7.197 -3.742 1.00 0.00 C ATOM 1538 C LYS A 102 -19.261 6.403 -4.822 1.00 0.00 C ATOM 1539 O LYS A 102 -20.466 6.172 -4.728 1.00 0.00 O ATOM 1540 CB LYS A 102 -18.230 8.609 -4.249 1.00 0.00 C ATOM 1541 CG LYS A 102 -17.506 9.478 -3.235 1.00 0.00 C ATOM 1542 CD LYS A 102 -17.853 10.947 -3.409 1.00 0.00 C ATOM 1543 CE LYS A 102 -19.202 11.278 -2.790 1.00 0.00 C ATOM 1544 NZ LYS A 102 -19.512 12.731 -2.880 1.00 0.00 N ATOM 0 H LYS A 102 -16.501 7.152 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.177 7.261 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.625 8.540 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.166 9.094 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.769 9.158 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.430 9.343 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.080 11.562 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.868 11.195 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.983 10.708 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.207 10.970 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.439 12.916 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.781 13.274 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.532 13.020 -3.879 1.00 0.00 H new ATOM 1558 N GLU A 103 -18.521 5.987 -5.845 1.00 0.00 N ATOM 1559 CA GLU A 103 -19.099 5.218 -6.942 1.00 0.00 C ATOM 1560 C GLU A 103 -19.370 3.779 -6.513 1.00 0.00 C ATOM 1561 O GLU A 103 -20.272 3.124 -7.034 1.00 0.00 O ATOM 1562 CB GLU A 103 -18.164 5.234 -8.153 1.00 0.00 C ATOM 1563 CG GLU A 103 -17.721 6.629 -8.563 1.00 0.00 C ATOM 1564 CD GLU A 103 -16.572 6.609 -9.551 1.00 0.00 C ATOM 1565 OE1 GLU A 103 -15.407 6.559 -9.104 1.00 0.00 O ATOM 1566 OE2 GLU A 103 -16.837 6.644 -10.771 1.00 0.00 O ATOM 0 H GLU A 103 -17.522 6.169 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.046 5.681 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.282 4.634 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.667 4.759 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.565 7.159 -9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.422 7.187 -7.675 1.00 0.00 H new ATOM 1573 N GLY A 104 -18.581 3.293 -5.559 1.00 0.00 N ATOM 1574 CA GLY A 104 -18.751 1.935 -5.077 1.00 0.00 C ATOM 1575 C GLY A 104 -17.828 0.953 -5.771 1.00 0.00 C ATOM 1576 O GLY A 104 -18.256 -0.120 -6.196 1.00 0.00 O ATOM 0 H GLY A 104 -17.828 3.815 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.564 1.908 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.785 1.626 -5.228 1.00 0.00 H new ATOM 1580 N LYS A 105 -16.556 1.321 -5.888 1.00 0.00 N ATOM 1581 CA LYS A 105 -15.568 0.466 -6.536 1.00 0.00 C ATOM 1582 C LYS A 105 -14.356 0.256 -5.634 1.00 0.00 C ATOM 1583 O LYS A 105 -13.342 -0.300 -6.059 1.00 0.00 O ATOM 1584 CB LYS A 105 -15.127 1.079 -7.867 1.00 0.00 C ATOM 1585 CG LYS A 105 -16.247 1.784 -8.613 1.00 0.00 C ATOM 1586 CD LYS A 105 -15.704 2.789 -9.614 1.00 0.00 C ATOM 1587 CE LYS A 105 -16.774 3.226 -10.603 1.00 0.00 C ATOM 1588 NZ LYS A 105 -16.952 2.235 -11.700 1.00 0.00 N ATOM 0 H LYS A 105 -16.185 2.206 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.030 -0.503 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.322 1.790 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.718 0.293 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.860 1.047 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.896 2.293 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.320 3.660 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.866 2.349 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.720 3.361 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.504 4.193 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.689 2.569 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.056 2.124 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.235 1.319 -11.298 1.00 0.00 H new ATOM 1602 N LEU A 106 -14.467 0.702 -4.388 1.00 0.00 N ATOM 1603 CA LEU A 106 -13.380 0.561 -3.425 1.00 0.00 C ATOM 1604 C LEU A 106 -13.649 -0.592 -2.464 1.00 0.00 C ATOM 1605 O LEU A 106 -12.870 -1.543 -2.384 1.00 0.00 O ATOM 1606 CB LEU A 106 -13.196 1.861 -2.640 1.00 0.00 C ATOM 1607 CG LEU A 106 -11.804 2.100 -2.054 1.00 0.00 C ATOM 1608 CD1 LEU A 106 -11.554 3.587 -1.861 1.00 0.00 C ATOM 1609 CD2 LEU A 106 -11.646 1.355 -0.736 1.00 0.00 C ATOM 0 H LEU A 106 -15.299 1.164 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.465 0.344 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.440 2.696 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.919 1.875 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.064 1.717 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.559 3.737 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.625 4.096 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.299 3.996 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.650 1.536 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.394 1.708 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.781 0.286 -0.904 1.00 0.00 H new ATOM 1621 N LEU A 107 -14.759 -0.504 -1.739 1.00 0.00 N ATOM 1622 CA LEU A 107 -15.133 -1.542 -0.785 1.00 0.00 C ATOM 1623 C LEU A 107 -15.185 -2.909 -1.459 1.00 0.00 C ATOM 1624 O LEU A 107 -14.703 -3.909 -0.928 1.00 0.00 O ATOM 1625 CB LEU A 107 -16.490 -1.219 -0.156 1.00 0.00 C ATOM 1626 CG LEU A 107 -16.728 -1.772 1.249 1.00 0.00 C ATOM 1627 CD1 LEU A 107 -17.174 -3.225 1.183 1.00 0.00 C ATOM 1628 CD2 LEU A 107 -15.470 -1.637 2.095 1.00 0.00 C ATOM 0 H LEU A 107 -15.415 0.275 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.374 -1.572 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.603 -0.135 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.272 -1.601 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.522 -1.191 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.338 -3.601 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.101 -3.296 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.402 -3.821 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.658 -2.036 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.657 -2.193 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.194 -0.585 2.171 1.00 0.00 H new ATOM 1640 N PRO A 108 -15.783 -2.955 -2.659 1.00 0.00 N ATOM 1641 CA PRO A 108 -15.909 -4.193 -3.434 1.00 0.00 C ATOM 1642 C PRO A 108 -14.594 -4.959 -3.521 1.00 0.00 C ATOM 1643 O PRO A 108 -14.584 -6.186 -3.629 1.00 0.00 O ATOM 1644 CB PRO A 108 -16.335 -3.702 -4.820 1.00 0.00 C ATOM 1645 CG PRO A 108 -17.017 -2.402 -4.568 1.00 0.00 C ATOM 1646 CD PRO A 108 -16.380 -1.801 -3.352 1.00 0.00 C ATOM 0 HA PRO A 108 -16.613 -4.889 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -15.475 -3.577 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -17.005 -4.413 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -16.911 -1.739 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -18.085 -2.551 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.625 -1.062 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -17.114 -1.294 -2.725 1.00 0.00 H new ATOM 1654 N LEU A 109 -13.485 -4.229 -3.474 1.00 0.00 N ATOM 1655 CA LEU A 109 -12.162 -4.840 -3.547 1.00 0.00 C ATOM 1656 C LEU A 109 -11.630 -5.154 -2.153 1.00 0.00 C ATOM 1657 O LEU A 109 -11.024 -6.203 -1.930 1.00 0.00 O ATOM 1658 CB LEU A 109 -11.191 -3.914 -4.280 1.00 0.00 C ATOM 1659 CG LEU A 109 -11.703 -3.298 -5.582 1.00 0.00 C ATOM 1660 CD1 LEU A 109 -10.901 -2.056 -5.938 1.00 0.00 C ATOM 1661 CD2 LEU A 109 -11.643 -4.315 -6.712 1.00 0.00 C ATOM 0 H LEU A 109 -13.476 -3.213 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.250 -5.775 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.912 -3.105 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.282 -4.474 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.743 -3.004 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.280 -1.632 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.995 -1.321 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.852 -2.324 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.011 -3.860 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.612 -4.639 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.263 -5.176 -6.460 1.00 0.00 H new ATOM 1673 N VAL A 110 -11.862 -4.240 -1.216 1.00 0.00 N ATOM 1674 CA VAL A 110 -11.408 -4.421 0.158 1.00 0.00 C ATOM 1675 C VAL A 110 -11.761 -5.811 0.675 1.00 0.00 C ATOM 1676 O VAL A 110 -10.942 -6.476 1.309 1.00 0.00 O ATOM 1677 CB VAL A 110 -12.023 -3.365 1.095 1.00 0.00 C ATOM 1678 CG1 VAL A 110 -11.573 -3.597 2.530 1.00 0.00 C ATOM 1679 CG2 VAL A 110 -11.656 -1.963 0.632 1.00 0.00 C ATOM 0 H VAL A 110 -12.362 -3.367 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.324 -4.304 0.152 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.108 -3.462 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.018 -2.841 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.892 -4.587 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.487 -3.529 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.099 -1.230 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.572 -1.851 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -12.034 -1.803 -0.378 1.00 0.00 H new ATOM 1689 N HIS A 111 -12.987 -6.245 0.399 1.00 0.00 N ATOM 1690 CA HIS A 111 -13.450 -7.557 0.836 1.00 0.00 C ATOM 1691 C HIS A 111 -12.667 -8.668 0.141 1.00 0.00 C ATOM 1692 O HIS A 111 -12.298 -9.662 0.764 1.00 0.00 O ATOM 1693 CB HIS A 111 -14.944 -7.716 0.552 1.00 0.00 C ATOM 1694 CG HIS A 111 -15.816 -6.926 1.478 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -17.109 -6.561 1.165 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -15.576 -6.433 2.715 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -17.625 -5.875 2.169 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -16.716 -5.784 3.123 1.00 0.00 N ATOM 0 H HIS A 111 -13.677 -5.707 -0.125 1.00 0.00 H new ATOM 0 HA HIS A 111 -13.282 -7.635 1.910 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.145 -7.409 -0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -15.210 -8.770 0.627 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -14.659 -6.531 3.277 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -18.621 -5.459 2.204 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -16.840 -5.309 4.017 1.00 0.00 H new ATOM 1706 N GLN A 112 -12.419 -8.490 -1.153 1.00 0.00 N ATOM 1707 CA GLN A 112 -11.682 -9.478 -1.932 1.00 0.00 C ATOM 1708 C GLN A 112 -10.519 -10.047 -1.127 1.00 0.00 C ATOM 1709 O GLN A 112 -10.212 -11.237 -1.215 1.00 0.00 O ATOM 1710 CB GLN A 112 -11.164 -8.853 -3.228 1.00 0.00 C ATOM 1711 CG GLN A 112 -12.260 -8.264 -4.101 1.00 0.00 C ATOM 1712 CD GLN A 112 -13.177 -9.323 -4.681 1.00 0.00 C ATOM 1713 OE1 GLN A 112 -14.230 -9.625 -4.119 1.00 0.00 O ATOM 1714 NE2 GLN A 112 -12.780 -9.895 -5.812 1.00 0.00 N ATOM 0 H GLN A 112 -12.717 -7.671 -1.683 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.363 -10.293 -2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.447 -8.070 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.626 -9.611 -3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.850 -7.561 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.806 -7.697 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.900 -9.614 -6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.355 -10.615 -6.249 1.00 0.00 H new ATOM 1723 N CYS A 113 -9.873 -9.191 -0.343 1.00 0.00 N ATOM 1724 CA CYS A 113 -8.742 -9.608 0.477 1.00 0.00 C ATOM 1725 C CYS A 113 -9.094 -10.843 1.302 1.00 0.00 C ATOM 1726 O CYS A 113 -8.344 -11.819 1.328 1.00 0.00 O ATOM 1727 CB CYS A 113 -8.310 -8.469 1.404 1.00 0.00 C ATOM 1728 SG CYS A 113 -6.923 -8.893 2.506 1.00 0.00 S ATOM 0 H CYS A 113 -10.114 -8.203 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 113 -7.916 -9.860 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -8.028 -7.608 0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -9.163 -8.166 2.011 1.00 0.00 H new