USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 25 CYS SG : rot 122:sc= -0.17 USER MOD Set 1.2: A 80 TYR OH : rot -44:sc= 1.2 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 0.31 (180deg=0.22) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.76) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.00199 X(o=0.002,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.225 K(o=-0.22,f=-3.8!) USER MOD Single : A 45 THR OG1 : rot 60:sc= 0.333 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= -0.0121 (180deg=-0.71) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.696 USER MOD Single : A 55 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3) USER MOD Single : A 56 TYR OH : rot 60:sc= -1.89 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 73 ASN : amide:sc= 0.097 K(o=0.097,f=-9!) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= -0.924 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.899 17.427 6.801 1.00 0.00 N ATOM 174 CA ILE A 11 11.642 16.690 6.853 1.00 0.00 C ATOM 175 C ILE A 11 10.458 17.635 7.030 1.00 0.00 C ATOM 176 O ILE A 11 10.446 18.469 7.934 1.00 0.00 O ATOM 177 CB ILE A 11 11.639 15.663 8.001 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.794 14.674 7.831 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.308 14.928 8.050 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.545 14.396 9.115 1.00 0.00 C ATOM 0 HA ILE A 11 11.546 16.163 5.904 1.00 0.00 H new ATOM 0 HB ILE A 11 11.774 16.193 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.403 13.736 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.491 15.065 7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.321 14.206 8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.503 15.644 8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.145 14.407 7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.350 13.687 8.920 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.966 15.325 9.499 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.862 13.975 9.852 1.00 0.00 H new ATOM 192 N ALA A 12 9.464 17.498 6.159 1.00 0.00 N ATOM 193 CA ALA A 12 8.273 18.336 6.221 1.00 0.00 C ATOM 194 C ALA A 12 7.038 17.511 6.565 1.00 0.00 C ATOM 195 O ALA A 12 6.639 16.626 5.809 1.00 0.00 O ATOM 196 CB ALA A 12 8.072 19.065 4.900 1.00 0.00 C ATOM 0 H ALA A 12 9.460 16.814 5.402 1.00 0.00 H new ATOM 0 HA ALA A 12 8.417 19.072 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.179 19.687 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.939 19.693 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.954 18.337 4.097 1.00 0.00 H new ATOM 202 N LYS A 13 6.436 17.807 7.712 1.00 0.00 N ATOM 203 CA LYS A 13 5.245 17.094 8.158 1.00 0.00 C ATOM 204 C LYS A 13 4.226 18.058 8.759 1.00 0.00 C ATOM 205 O LYS A 13 4.591 19.075 9.348 1.00 0.00 O ATOM 206 CB LYS A 13 5.620 16.026 9.187 1.00 0.00 C ATOM 207 CG LYS A 13 5.966 16.592 10.554 1.00 0.00 C ATOM 208 CD LYS A 13 6.639 15.553 11.434 1.00 0.00 C ATOM 209 CE LYS A 13 8.010 15.170 10.897 1.00 0.00 C ATOM 210 NZ LYS A 13 8.976 14.887 11.994 1.00 0.00 N ATOM 0 H LYS A 13 6.754 18.537 8.350 1.00 0.00 H new ATOM 0 HA LYS A 13 4.795 16.612 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.790 15.327 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.471 15.456 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.625 17.452 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.059 16.950 11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.740 15.943 12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.010 14.665 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.918 14.291 10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.394 15.977 10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.813 14.407 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.266 15.780 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.525 14.275 12.704 1.00 0.00 H new ATOM 224 N LYS A 14 2.948 17.730 8.607 1.00 0.00 N ATOM 225 CA LYS A 14 1.876 18.565 9.137 1.00 0.00 C ATOM 226 C LYS A 14 1.357 18.010 10.460 1.00 0.00 C ATOM 227 O LYS A 14 0.717 16.958 10.494 1.00 0.00 O ATOM 228 CB LYS A 14 0.730 18.660 8.127 1.00 0.00 C ATOM 229 CG LYS A 14 0.939 19.729 7.068 1.00 0.00 C ATOM 230 CD LYS A 14 0.003 19.535 5.888 1.00 0.00 C ATOM 231 CE LYS A 14 0.599 18.596 4.851 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.454 17.876 4.084 1.00 0.00 N ATOM 0 H LYS A 14 2.629 16.892 8.121 1.00 0.00 H new ATOM 0 HA LYS A 14 2.280 19.562 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.608 17.694 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.198 18.866 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.774 20.713 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.972 19.703 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.948 19.134 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.208 20.500 5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.224 19.165 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.246 17.872 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.007 17.246 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.035 17.313 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.057 18.565 3.591 1.00 0.00 H new ATOM 246 N ILE A 15 1.636 18.723 11.545 1.00 0.00 N ATOM 247 CA ILE A 15 1.195 18.302 12.869 1.00 0.00 C ATOM 248 C ILE A 15 0.001 19.126 13.339 1.00 0.00 C ATOM 249 O ILE A 15 -0.327 20.155 12.748 1.00 0.00 O ATOM 250 CB ILE A 15 2.328 18.424 13.906 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.826 19.869 13.981 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.469 17.482 13.556 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.197 20.308 15.380 1.00 0.00 C ATOM 0 H ILE A 15 2.165 19.595 11.534 1.00 0.00 H new ATOM 0 HA ILE A 15 0.901 17.256 12.785 1.00 0.00 H new ATOM 0 HB ILE A 15 1.938 18.143 14.884 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.695 19.980 13.332 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.052 20.532 13.594 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.262 17.580 14.298 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.104 16.455 13.548 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.861 17.735 12.571 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.541 21.342 15.358 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.325 20.230 16.029 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.993 19.669 15.763 1.00 0.00 H new ATOM 265 N ASN A 16 -0.645 18.668 14.406 1.00 0.00 N ATOM 266 CA ASN A 16 -1.803 19.363 14.956 1.00 0.00 C ATOM 267 C ASN A 16 -1.684 19.504 16.470 1.00 0.00 C ATOM 268 O ASN A 16 -2.677 19.729 17.163 1.00 0.00 O ATOM 269 CB ASN A 16 -3.090 18.615 14.601 1.00 0.00 C ATOM 270 CG ASN A 16 -4.329 19.461 14.819 1.00 0.00 C ATOM 271 OD1 ASN A 16 -5.000 19.348 15.845 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.640 20.315 13.851 1.00 0.00 N ATOM 0 H ASN A 16 -0.386 17.818 14.907 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.839 20.360 14.518 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.048 18.299 13.559 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.160 17.711 15.205 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.463 20.910 13.941 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.056 20.376 13.017 1.00 0.00 H new ATOM 279 N SER A 17 -0.463 19.371 16.977 1.00 0.00 N ATOM 280 CA SER A 17 -0.214 19.480 18.410 1.00 0.00 C ATOM 281 C SER A 17 1.080 20.241 18.680 1.00 0.00 C ATOM 282 O SER A 17 2.108 19.982 18.054 1.00 0.00 O ATOM 283 CB SER A 17 -0.143 18.089 19.044 1.00 0.00 C ATOM 284 OG SER A 17 -1.094 17.214 18.462 1.00 0.00 O ATOM 0 H SER A 17 0.370 19.188 16.417 1.00 0.00 H new ATOM 0 HA SER A 17 -1.040 20.033 18.856 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.859 17.679 18.917 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.323 18.165 20.116 1.00 0.00 H new ATOM 0 HG SER A 17 -1.027 16.332 18.883 1.00 0.00 H new ATOM 290 N VAL A 18 1.022 21.181 19.618 1.00 0.00 N ATOM 291 CA VAL A 18 2.189 21.980 19.973 1.00 0.00 C ATOM 292 C VAL A 18 3.158 21.183 20.838 1.00 0.00 C ATOM 293 O VAL A 18 4.321 21.557 20.992 1.00 0.00 O ATOM 294 CB VAL A 18 1.783 23.262 20.724 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.778 24.063 19.910 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.220 22.921 22.095 1.00 0.00 C ATOM 0 H VAL A 18 0.179 21.408 20.146 1.00 0.00 H new ATOM 0 HA VAL A 18 2.681 22.254 19.040 1.00 0.00 H new ATOM 0 HB VAL A 18 2.672 23.876 20.864 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.503 24.965 20.457 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.222 24.340 18.954 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.112 23.459 19.735 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.939 23.839 22.611 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.342 22.285 21.980 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.975 22.394 22.678 1.00 0.00 H new ATOM 306 N ASP A 19 2.672 20.082 21.400 1.00 0.00 N ATOM 307 CA ASP A 19 3.496 19.229 22.249 1.00 0.00 C ATOM 308 C ASP A 19 4.669 18.650 21.463 1.00 0.00 C ATOM 309 O ASP A 19 5.780 18.536 21.980 1.00 0.00 O ATOM 310 CB ASP A 19 2.655 18.098 22.842 1.00 0.00 C ATOM 311 CG ASP A 19 1.733 18.579 23.944 1.00 0.00 C ATOM 312 OD1 ASP A 19 2.132 19.493 24.696 1.00 0.00 O ATOM 313 OD2 ASP A 19 0.611 18.042 24.056 1.00 0.00 O ATOM 0 H ASP A 19 1.712 19.759 21.283 1.00 0.00 H new ATOM 0 HA ASP A 19 3.892 19.840 23.060 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.062 17.637 22.052 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.316 17.326 23.236 1.00 0.00 H new ATOM 318 N ASP A 20 4.412 18.284 20.212 1.00 0.00 N ATOM 319 CA ASP A 20 5.446 17.717 19.354 1.00 0.00 C ATOM 320 C ASP A 20 6.294 18.817 18.724 1.00 0.00 C ATOM 321 O ASP A 20 6.422 18.892 17.501 1.00 0.00 O ATOM 322 CB ASP A 20 4.814 16.853 18.261 1.00 0.00 C ATOM 323 CG ASP A 20 4.523 15.443 18.734 1.00 0.00 C ATOM 324 OD1 ASP A 20 4.453 15.231 19.963 1.00 0.00 O ATOM 325 OD2 ASP A 20 4.363 14.551 17.875 1.00 0.00 O ATOM 0 H ASP A 20 3.497 18.370 19.770 1.00 0.00 H new ATOM 0 HA ASP A 20 6.093 17.093 19.971 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.888 17.319 17.924 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.482 16.814 17.401 1.00 0.00 H new ATOM 330 N ILE A 21 6.870 19.669 19.565 1.00 0.00 N ATOM 331 CA ILE A 21 7.705 20.765 19.090 1.00 0.00 C ATOM 332 C ILE A 21 9.064 20.760 19.783 1.00 0.00 C ATOM 333 O ILE A 21 9.164 20.458 20.972 1.00 0.00 O ATOM 334 CB ILE A 21 7.028 22.129 19.320 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.717 22.211 18.536 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.964 23.259 18.918 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.957 23.498 18.764 1.00 0.00 C ATOM 0 H ILE A 21 6.774 19.621 20.579 1.00 0.00 H new ATOM 0 HA ILE A 21 7.845 20.615 18.020 1.00 0.00 H new ATOM 0 HB ILE A 21 6.801 22.231 20.381 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.932 22.109 17.472 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.083 21.370 18.815 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.471 24.217 19.086 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.873 23.209 19.517 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.219 23.162 17.863 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.039 23.487 18.177 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.711 23.593 19.822 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.573 24.343 18.458 1.00 0.00 H new ATOM 349 N ILE A 22 10.106 21.100 19.031 1.00 0.00 N ATOM 350 CA ILE A 22 11.458 21.138 19.574 1.00 0.00 C ATOM 351 C ILE A 22 12.163 22.438 19.203 1.00 0.00 C ATOM 352 O ILE A 22 11.578 23.311 18.561 1.00 0.00 O ATOM 353 CB ILE A 22 12.300 19.950 19.072 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.279 19.891 17.544 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.782 18.647 19.664 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.326 18.968 16.960 1.00 0.00 C ATOM 0 H ILE A 22 10.040 21.353 18.045 1.00 0.00 H new ATOM 0 HA ILE A 22 11.364 21.074 20.658 1.00 0.00 H new ATOM 0 HB ILE A 22 13.331 20.091 19.397 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.293 19.563 17.215 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.430 20.895 17.148 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.387 17.816 19.300 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.843 18.692 20.751 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.744 18.499 19.365 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.252 18.976 15.873 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.318 19.307 17.259 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.163 17.955 17.327 1.00 0.00 H new ATOM 368 N ILE A 23 13.422 22.559 19.609 1.00 0.00 N ATOM 369 CA ILE A 23 14.207 23.752 19.317 1.00 0.00 C ATOM 370 C ILE A 23 14.592 23.809 17.842 1.00 0.00 C ATOM 371 O ILE A 23 14.839 24.883 17.294 1.00 0.00 O ATOM 372 CB ILE A 23 15.487 23.806 20.172 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.131 23.915 21.656 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.360 24.976 19.744 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.868 22.579 22.313 1.00 0.00 C ATOM 0 H ILE A 23 13.920 21.846 20.141 1.00 0.00 H new ATOM 0 HA ILE A 23 13.580 24.610 19.560 1.00 0.00 H new ATOM 0 HB ILE A 23 16.048 22.884 20.019 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.945 24.415 22.181 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.248 24.544 21.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.261 25.001 20.357 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.637 24.859 18.696 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.808 25.907 19.871 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.622 22.732 23.364 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.034 22.086 21.813 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.758 21.954 22.236 1.00 0.00 H new ATOM 387 N LYS A 24 14.638 22.645 17.203 1.00 0.00 N ATOM 388 CA LYS A 24 14.989 22.560 15.790 1.00 0.00 C ATOM 389 C LYS A 24 13.738 22.564 14.918 1.00 0.00 C ATOM 390 O LYS A 24 13.820 22.418 13.698 1.00 0.00 O ATOM 391 CB LYS A 24 15.808 21.295 15.522 1.00 0.00 C ATOM 392 CG LYS A 24 17.240 21.381 16.019 1.00 0.00 C ATOM 393 CD LYS A 24 17.384 20.784 17.409 1.00 0.00 C ATOM 394 CE LYS A 24 18.721 21.148 18.036 1.00 0.00 C ATOM 395 NZ LYS A 24 19.776 20.148 17.715 1.00 0.00 N ATOM 0 H LYS A 24 14.436 21.746 17.642 1.00 0.00 H new ATOM 0 HA LYS A 24 15.589 23.434 15.537 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.317 20.447 15.999 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.816 21.098 14.450 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.899 20.857 15.327 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.559 22.423 16.035 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.574 21.140 18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.291 19.699 17.352 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.032 22.131 17.682 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.607 21.221 19.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.671 20.433 18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.491 19.215 18.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.904 20.097 16.684 1.00 0.00 H new ATOM 409 N CYS A 25 12.582 22.732 15.550 1.00 0.00 N ATOM 410 CA CYS A 25 11.313 22.755 14.831 1.00 0.00 C ATOM 411 C CYS A 25 10.970 24.171 14.379 1.00 0.00 C ATOM 412 O CYS A 25 11.171 25.134 15.118 1.00 0.00 O ATOM 413 CB CYS A 25 10.193 22.203 15.713 1.00 0.00 C ATOM 414 SG CYS A 25 8.529 22.526 15.083 1.00 0.00 S ATOM 0 H CYS A 25 12.497 22.854 16.559 1.00 0.00 H new ATOM 0 HA CYS A 25 11.413 22.125 13.947 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.327 21.127 15.820 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.283 22.636 16.709 1.00 0.00 H new ATOM 0 HG CYS A 25 7.900 21.400 14.921 1.00 0.00 H new ATOM 420 N GLN A 26 10.453 24.288 13.160 1.00 0.00 N ATOM 421 CA GLN A 26 10.085 25.587 12.609 1.00 0.00 C ATOM 422 C GLN A 26 8.630 25.591 12.151 1.00 0.00 C ATOM 423 O GLN A 26 8.191 24.690 11.436 1.00 0.00 O ATOM 424 CB GLN A 26 11.001 25.947 11.438 1.00 0.00 C ATOM 425 CG GLN A 26 12.473 26.003 11.813 1.00 0.00 C ATOM 426 CD GLN A 26 13.386 25.969 10.603 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.246 26.776 9.684 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.327 25.032 10.597 1.00 0.00 N ATOM 0 H GLN A 26 10.280 23.500 12.536 1.00 0.00 H new ATOM 0 HA GLN A 26 10.202 26.333 13.395 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.865 25.215 10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.700 26.914 11.036 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.664 26.913 12.382 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.710 25.163 12.466 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.406 24.384 11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.970 24.960 9.809 1.00 0.00 H new ATOM 437 N CYS A 27 7.887 26.611 12.568 1.00 0.00 N ATOM 438 CA CYS A 27 6.480 26.731 12.202 1.00 0.00 C ATOM 439 C CYS A 27 6.150 28.158 11.774 1.00 0.00 C ATOM 440 O CYS A 27 7.039 29.000 11.650 1.00 0.00 O ATOM 441 CB CYS A 27 5.589 26.318 13.374 1.00 0.00 C ATOM 442 SG CYS A 27 5.849 27.290 14.876 1.00 0.00 S ATOM 0 H CYS A 27 8.235 27.366 13.159 1.00 0.00 H new ATOM 0 HA CYS A 27 6.291 26.065 11.360 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.545 26.407 13.072 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.767 25.266 13.599 1.00 0.00 H new ATOM 0 HG CYS A 27 5.049 26.868 15.810 1.00 0.00 H new ATOM 448 N TRP A 28 4.868 28.420 11.548 1.00 0.00 N ATOM 449 CA TRP A 28 4.421 29.745 11.133 1.00 0.00 C ATOM 450 C TRP A 28 3.622 30.422 12.240 1.00 0.00 C ATOM 451 O TRP A 28 2.778 29.796 12.882 1.00 0.00 O ATOM 452 CB TRP A 28 3.574 29.645 9.863 1.00 0.00 C ATOM 453 CG TRP A 28 4.386 29.419 8.624 1.00 0.00 C ATOM 454 CD1 TRP A 28 4.826 28.221 8.139 1.00 0.00 C ATOM 455 CD2 TRP A 28 4.855 30.419 7.713 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.541 28.415 6.982 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.573 29.755 6.699 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.738 31.810 7.654 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.170 30.437 5.641 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.331 32.485 6.604 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.039 31.798 5.609 1.00 0.00 C ATOM 0 H TRP A 28 4.120 27.733 11.645 1.00 0.00 H new ATOM 0 HA TRP A 28 5.303 30.351 10.926 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.860 28.829 9.975 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.996 30.562 9.748 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.639 27.261 8.598 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.977 27.681 6.424 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.194 32.348 8.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.717 29.910 4.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.247 33.560 6.549 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.490 32.354 4.801 1.00 0.00 H new ATOM 472 N VAL A 29 3.891 31.705 12.460 1.00 0.00 N ATOM 473 CA VAL A 29 3.195 32.467 13.489 1.00 0.00 C ATOM 474 C VAL A 29 2.422 33.632 12.882 1.00 0.00 C ATOM 475 O VAL A 29 2.866 34.247 11.913 1.00 0.00 O ATOM 476 CB VAL A 29 4.177 33.012 14.544 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.424 33.729 15.655 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.030 31.886 15.109 1.00 0.00 C ATOM 0 H VAL A 29 4.587 32.239 11.939 1.00 0.00 H new ATOM 0 HA VAL A 29 2.497 31.783 13.971 1.00 0.00 H new ATOM 0 HB VAL A 29 4.838 33.732 14.062 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.134 34.107 16.391 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.860 34.561 15.234 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.738 33.033 16.137 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.718 32.289 15.853 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.386 31.141 15.576 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.598 31.421 14.304 1.00 0.00 H new ATOM 488 N GLN A 30 1.262 33.930 13.459 1.00 0.00 N ATOM 489 CA GLN A 30 0.426 35.021 12.974 1.00 0.00 C ATOM 490 C GLN A 30 0.864 36.352 13.577 1.00 0.00 C ATOM 491 O GLN A 30 0.849 36.529 14.795 1.00 0.00 O ATOM 492 CB GLN A 30 -1.043 34.755 13.309 1.00 0.00 C ATOM 493 CG GLN A 30 -1.980 34.943 12.128 1.00 0.00 C ATOM 494 CD GLN A 30 -3.441 34.833 12.518 1.00 0.00 C ATOM 495 OE1 GLN A 30 -4.264 35.661 12.127 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.771 33.808 13.295 1.00 0.00 N ATOM 0 H GLN A 30 0.880 33.431 14.263 1.00 0.00 H new ATOM 0 HA GLN A 30 0.540 35.078 11.891 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.143 33.736 13.683 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.350 35.422 14.115 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.801 35.920 11.679 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.754 34.196 11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.056 33.145 13.596 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.739 33.683 13.591 1.00 0.00 H new ATOM 505 N LYS A 31 1.254 37.286 12.716 1.00 0.00 N ATOM 506 CA LYS A 31 1.696 38.602 13.163 1.00 0.00 C ATOM 507 C LYS A 31 1.225 39.689 12.202 1.00 0.00 C ATOM 508 O LYS A 31 1.351 39.552 10.986 1.00 0.00 O ATOM 509 CB LYS A 31 3.221 38.637 13.282 1.00 0.00 C ATOM 510 CG LYS A 31 3.722 38.537 14.712 1.00 0.00 C ATOM 511 CD LYS A 31 3.312 39.749 15.532 1.00 0.00 C ATOM 512 CE LYS A 31 4.363 40.846 15.471 1.00 0.00 C ATOM 513 NZ LYS A 31 4.454 41.599 16.753 1.00 0.00 N ATOM 0 H LYS A 31 1.273 37.156 11.704 1.00 0.00 H new ATOM 0 HA LYS A 31 1.257 38.792 14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.641 37.816 12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.590 39.563 12.840 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.327 37.633 15.175 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.808 38.447 14.713 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.361 40.134 15.163 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.155 39.452 16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.333 40.407 15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.122 41.535 14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.181 42.338 16.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.535 42.039 16.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.709 40.946 17.522 1.00 0.00 H new ATOM 527 N ASN A 32 0.685 40.769 12.756 1.00 0.00 N ATOM 528 CA ASN A 32 0.196 41.880 11.947 1.00 0.00 C ATOM 529 C ASN A 32 -0.759 41.386 10.865 1.00 0.00 C ATOM 530 O ASN A 32 -0.603 41.714 9.688 1.00 0.00 O ATOM 531 CB ASN A 32 1.368 42.626 11.308 1.00 0.00 C ATOM 532 CG ASN A 32 1.077 44.102 11.111 1.00 0.00 C ATOM 533 OD1 ASN A 32 1.247 44.907 12.027 1.00 0.00 O ATOM 534 ND2 ASN A 32 0.634 44.463 9.913 1.00 0.00 N ATOM 0 H ASN A 32 0.575 40.899 13.762 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.347 42.562 12.601 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.252 42.514 11.936 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.601 42.173 10.345 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.420 45.442 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.508 43.762 9.183 1.00 0.00 H new ATOM 541 N ASP A 33 -1.747 40.597 11.270 1.00 0.00 N ATOM 542 CA ASP A 33 -2.729 40.059 10.336 1.00 0.00 C ATOM 543 C ASP A 33 -2.041 39.352 9.172 1.00 0.00 C ATOM 544 O ASP A 33 -2.574 39.297 8.064 1.00 0.00 O ATOM 545 CB ASP A 33 -3.629 41.177 9.809 1.00 0.00 C ATOM 546 CG ASP A 33 -4.768 41.499 10.756 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.795 40.928 11.867 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.631 42.322 10.388 1.00 0.00 O ATOM 0 H ASP A 33 -1.890 40.315 12.240 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.341 39.332 10.869 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.031 42.074 9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.037 40.885 8.841 1.00 0.00 H new ATOM 553 N GLU A 34 -0.854 38.812 9.432 1.00 0.00 N ATOM 554 CA GLU A 34 -0.092 38.111 8.405 1.00 0.00 C ATOM 555 C GLU A 34 0.577 36.866 8.980 1.00 0.00 C ATOM 556 O GLU A 34 0.471 36.587 10.174 1.00 0.00 O ATOM 557 CB GLU A 34 0.964 39.037 7.799 1.00 0.00 C ATOM 558 CG GLU A 34 0.462 39.835 6.608 1.00 0.00 C ATOM 559 CD GLU A 34 0.522 39.049 5.312 1.00 0.00 C ATOM 560 OE1 GLU A 34 1.258 38.041 5.265 1.00 0.00 O ATOM 561 OE2 GLU A 34 -0.166 39.441 4.347 1.00 0.00 O ATOM 0 H GLU A 34 -0.400 38.847 10.345 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.785 37.802 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.314 39.727 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.823 38.442 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.566 40.147 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.057 40.742 6.506 1.00 0.00 H new ATOM 568 N GLU A 35 1.266 36.121 8.120 1.00 0.00 N ATOM 569 CA GLU A 35 1.952 34.906 8.542 1.00 0.00 C ATOM 570 C GLU A 35 3.453 35.011 8.288 1.00 0.00 C ATOM 571 O GLU A 35 3.884 35.345 7.184 1.00 0.00 O ATOM 572 CB GLU A 35 1.383 33.691 7.806 1.00 0.00 C ATOM 573 CG GLU A 35 -0.076 33.412 8.128 1.00 0.00 C ATOM 574 CD GLU A 35 -1.023 34.344 7.396 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.744 34.672 6.224 1.00 0.00 O ATOM 576 OE2 GLU A 35 -2.043 34.744 7.995 1.00 0.00 O ATOM 0 H GLU A 35 1.363 36.338 7.128 1.00 0.00 H new ATOM 0 HA GLU A 35 1.791 34.782 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.486 33.846 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.977 32.813 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.312 32.381 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.233 33.511 9.202 1.00 0.00 H new ATOM 583 N ARG A 36 4.243 34.725 9.318 1.00 0.00 N ATOM 584 CA ARG A 36 5.695 34.789 9.207 1.00 0.00 C ATOM 585 C ARG A 36 6.338 33.510 9.737 1.00 0.00 C ATOM 586 O ARG A 36 6.000 33.037 10.823 1.00 0.00 O ATOM 587 CB ARG A 36 6.233 35.998 9.974 1.00 0.00 C ATOM 588 CG ARG A 36 6.463 37.220 9.100 1.00 0.00 C ATOM 589 CD ARG A 36 5.461 38.322 9.408 1.00 0.00 C ATOM 590 NE ARG A 36 5.638 39.482 8.538 1.00 0.00 N ATOM 591 CZ ARG A 36 4.938 40.604 8.659 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.018 40.717 9.607 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.157 41.617 7.829 1.00 0.00 N ATOM 0 H ARG A 36 3.902 34.447 10.238 1.00 0.00 H new ATOM 0 HA ARG A 36 5.950 34.893 8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.531 36.256 10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.172 35.724 10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.475 37.594 9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.384 36.938 8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.449 37.934 9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.569 38.629 10.448 1.00 0.00 H new ATOM 0 HE ARG A 36 6.337 39.427 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.846 39.941 10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.482 41.580 9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.863 41.534 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.619 42.478 7.923 1.00 0.00 H new ATOM 607 N LEU A 37 7.264 32.956 8.964 1.00 0.00 N ATOM 608 CA LEU A 37 7.955 31.731 9.354 1.00 0.00 C ATOM 609 C LEU A 37 8.796 31.956 10.607 1.00 0.00 C ATOM 610 O LEU A 37 9.829 32.622 10.561 1.00 0.00 O ATOM 611 CB LEU A 37 8.843 31.236 8.212 1.00 0.00 C ATOM 612 CG LEU A 37 9.416 29.828 8.369 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.459 28.794 7.796 1.00 0.00 C ATOM 614 CD2 LEU A 37 10.778 29.728 7.696 1.00 0.00 C ATOM 0 H LEU A 37 7.555 33.335 8.063 1.00 0.00 H new ATOM 0 HA LEU A 37 7.203 30.974 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.265 31.270 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.673 31.933 8.095 1.00 0.00 H new ATOM 0 HG LEU A 37 9.542 29.625 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.885 27.798 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.506 28.848 8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.299 28.994 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.171 28.719 7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.676 29.952 6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.463 30.442 8.154 1.00 0.00 H new ATOM 626 N ALA A 38 8.346 31.394 11.724 1.00 0.00 N ATOM 627 CA ALA A 38 9.060 31.530 12.988 1.00 0.00 C ATOM 628 C ALA A 38 9.751 30.226 13.370 1.00 0.00 C ATOM 629 O ALA A 38 9.154 29.152 13.299 1.00 0.00 O ATOM 630 CB ALA A 38 8.104 31.966 14.089 1.00 0.00 C ATOM 0 H ALA A 38 7.491 30.841 11.780 1.00 0.00 H new ATOM 0 HA ALA A 38 9.827 32.294 12.864 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.650 32.064 15.027 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.660 32.926 13.826 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.317 31.221 14.203 1.00 0.00 H new ATOM 636 N GLU A 39 11.013 30.327 13.776 1.00 0.00 N ATOM 637 CA GLU A 39 11.785 29.154 14.168 1.00 0.00 C ATOM 638 C GLU A 39 11.829 29.014 15.687 1.00 0.00 C ATOM 639 O GLU A 39 12.185 29.955 16.398 1.00 0.00 O ATOM 640 CB GLU A 39 13.208 29.244 13.612 1.00 0.00 C ATOM 641 CG GLU A 39 14.142 28.174 14.154 1.00 0.00 C ATOM 642 CD GLU A 39 15.243 27.811 13.177 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.390 28.519 12.159 1.00 0.00 O ATOM 644 OE2 GLU A 39 15.957 26.819 13.431 1.00 0.00 O ATOM 0 H GLU A 39 11.522 31.209 13.842 1.00 0.00 H new ATOM 0 HA GLU A 39 11.295 28.273 13.753 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.170 29.165 12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.619 30.226 13.846 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.588 28.524 15.085 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.565 27.281 14.394 1.00 0.00 H new ATOM 651 N ILE A 40 11.464 27.835 16.178 1.00 0.00 N ATOM 652 CA ILE A 40 11.462 27.571 17.611 1.00 0.00 C ATOM 653 C ILE A 40 12.871 27.659 18.188 1.00 0.00 C ATOM 654 O ILE A 40 13.841 27.242 17.554 1.00 0.00 O ATOM 655 CB ILE A 40 10.875 26.183 17.928 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.482 26.042 17.311 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.819 25.962 19.432 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.451 26.960 17.929 1.00 0.00 C ATOM 0 H ILE A 40 11.166 27.047 15.604 1.00 0.00 H new ATOM 0 HA ILE A 40 10.835 28.335 18.071 1.00 0.00 H new ATOM 0 HB ILE A 40 11.524 25.422 17.493 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.545 26.247 16.242 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.149 25.010 17.419 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.402 24.977 19.640 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.825 26.025 19.847 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.190 26.726 19.889 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.488 26.805 17.442 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.359 26.741 18.993 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.762 27.997 17.798 1.00 0.00 H new ATOM 670 N LEU A 41 12.977 28.202 19.396 1.00 0.00 N ATOM 671 CA LEU A 41 14.267 28.342 20.061 1.00 0.00 C ATOM 672 C LEU A 41 14.274 27.607 21.398 1.00 0.00 C ATOM 673 O LEU A 41 15.297 27.062 21.813 1.00 0.00 O ATOM 674 CB LEU A 41 14.593 29.821 20.278 1.00 0.00 C ATOM 675 CG LEU A 41 15.119 30.578 19.058 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.369 32.038 19.403 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.391 29.927 18.534 1.00 0.00 C ATOM 0 H LEU A 41 12.185 28.552 19.935 1.00 0.00 H new ATOM 0 HA LEU A 41 15.028 27.898 19.420 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.692 30.323 20.632 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.333 29.896 21.074 1.00 0.00 H new ATOM 0 HG LEU A 41 14.363 30.535 18.274 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.743 32.561 18.523 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.437 32.499 19.730 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.106 32.102 20.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.751 30.479 17.666 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.153 29.939 19.313 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.181 28.897 18.247 1.00 0.00 H new ATOM 689 N SER A 42 13.125 27.595 22.067 1.00 0.00 N ATOM 690 CA SER A 42 12.999 26.928 23.357 1.00 0.00 C ATOM 691 C SER A 42 11.533 26.680 23.699 1.00 0.00 C ATOM 692 O SER A 42 10.634 27.156 23.006 1.00 0.00 O ATOM 693 CB SER A 42 13.655 27.768 24.455 1.00 0.00 C ATOM 694 OG SER A 42 14.575 26.995 25.207 1.00 0.00 O ATOM 0 H SER A 42 12.269 28.040 21.737 1.00 0.00 H new ATOM 0 HA SER A 42 13.507 25.966 23.292 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.170 28.619 24.008 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.888 28.171 25.116 1.00 0.00 H new ATOM 0 HG SER A 42 14.982 27.555 25.901 1.00 0.00 H new ATOM 700 N ILE A 43 11.301 25.930 24.772 1.00 0.00 N ATOM 701 CA ILE A 43 9.946 25.618 25.206 1.00 0.00 C ATOM 702 C ILE A 43 9.777 25.867 26.701 1.00 0.00 C ATOM 703 O ILE A 43 10.590 25.423 27.510 1.00 0.00 O ATOM 704 CB ILE A 43 9.577 24.155 24.896 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.837 23.843 23.421 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.122 23.889 25.252 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.673 22.380 23.075 1.00 0.00 C ATOM 0 H ILE A 43 12.034 25.528 25.356 1.00 0.00 H new ATOM 0 HA ILE A 43 9.278 26.277 24.652 1.00 0.00 H new ATOM 0 HB ILE A 43 10.204 23.501 25.502 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.155 24.432 22.808 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.849 24.158 23.164 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.876 22.851 25.027 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.967 24.077 26.315 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.479 24.548 24.670 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.873 22.233 22.014 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.374 21.787 23.662 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.654 22.065 23.300 1.00 0.00 H new ATOM 719 N ASN A 44 8.714 26.579 27.061 1.00 0.00 N ATOM 720 CA ASN A 44 8.437 26.886 28.459 1.00 0.00 C ATOM 721 C ASN A 44 7.057 26.377 28.866 1.00 0.00 C ATOM 722 O ASN A 44 6.037 26.982 28.536 1.00 0.00 O ATOM 723 CB ASN A 44 8.526 28.395 28.699 1.00 0.00 C ATOM 724 CG ASN A 44 8.155 28.778 30.119 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.528 28.097 31.075 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.417 29.872 30.262 1.00 0.00 N ATOM 0 H ASN A 44 8.030 26.954 26.404 1.00 0.00 H new ATOM 0 HA ASN A 44 9.186 26.382 29.070 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.540 28.735 28.487 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.865 28.910 28.002 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.136 30.179 31.193 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.131 30.405 29.441 1.00 0.00 H new ATOM 733 N THR A 45 7.034 25.259 29.586 1.00 0.00 N ATOM 734 CA THR A 45 5.781 24.667 30.037 1.00 0.00 C ATOM 735 C THR A 45 5.500 25.018 31.493 1.00 0.00 C ATOM 736 O THR A 45 5.484 24.144 32.361 1.00 0.00 O ATOM 737 CB THR A 45 5.797 23.134 29.884 1.00 0.00 C ATOM 738 OG1 THR A 45 6.916 22.583 30.589 1.00 0.00 O ATOM 739 CG2 THR A 45 5.870 22.737 28.418 1.00 0.00 C ATOM 0 H THR A 45 7.869 24.746 29.869 1.00 0.00 H new ATOM 0 HA THR A 45 4.992 25.079 29.408 1.00 0.00 H new ATOM 0 HB THR A 45 4.872 22.739 30.305 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.850 22.814 31.539 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.880 21.650 28.335 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.002 23.133 27.890 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.780 23.143 27.976 1.00 0.00 H new ATOM 747 N ARG A 46 5.279 26.302 31.755 1.00 0.00 N ATOM 748 CA ARG A 46 4.999 26.769 33.108 1.00 0.00 C ATOM 749 C ARG A 46 3.625 27.428 33.182 1.00 0.00 C ATOM 750 O ARG A 46 3.278 28.053 34.184 1.00 0.00 O ATOM 751 CB ARG A 46 6.076 27.756 33.563 1.00 0.00 C ATOM 752 CG ARG A 46 7.453 27.130 33.712 1.00 0.00 C ATOM 753 CD ARG A 46 7.665 26.580 35.114 1.00 0.00 C ATOM 754 NE ARG A 46 8.158 27.602 36.034 1.00 0.00 N ATOM 755 CZ ARG A 46 9.376 28.128 35.965 1.00 0.00 C ATOM 756 NH1 ARG A 46 10.221 27.729 35.025 1.00 0.00 N ATOM 757 NH2 ARG A 46 9.751 29.054 36.838 1.00 0.00 N ATOM 0 H ARG A 46 5.288 27.038 31.048 1.00 0.00 H new ATOM 0 HA ARG A 46 5.004 25.905 33.772 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.134 28.574 32.845 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.779 28.190 34.517 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.570 26.328 32.983 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.218 27.874 33.492 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.725 26.176 35.491 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.375 25.754 35.076 1.00 0.00 H new ATOM 0 HE ARG A 46 7.533 27.930 36.770 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.937 27.017 34.353 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.156 28.134 34.974 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.104 29.363 37.563 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.686 29.457 36.784 1.00 0.00 H new ATOM 771 N LYS A 47 2.848 27.285 32.114 1.00 0.00 N ATOM 772 CA LYS A 47 1.511 27.865 32.057 1.00 0.00 C ATOM 773 C LYS A 47 0.532 26.910 31.382 1.00 0.00 C ATOM 774 O LYS A 47 0.918 25.839 30.914 1.00 0.00 O ATOM 775 CB LYS A 47 1.543 29.197 31.303 1.00 0.00 C ATOM 776 CG LYS A 47 0.537 30.211 31.818 1.00 0.00 C ATOM 777 CD LYS A 47 1.007 31.636 31.575 1.00 0.00 C ATOM 778 CE LYS A 47 0.431 32.201 30.286 1.00 0.00 C ATOM 779 NZ LYS A 47 0.051 33.633 30.429 1.00 0.00 N ATOM 0 H LYS A 47 3.121 26.772 31.276 1.00 0.00 H new ATOM 0 HA LYS A 47 1.174 28.040 33.079 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.544 29.622 31.375 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.351 29.012 30.246 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.423 30.055 31.326 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.377 30.057 32.885 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.711 32.266 32.414 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.096 31.658 31.529 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.163 32.098 29.485 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.444 31.620 29.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.337 33.981 29.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.667 33.729 31.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.891 34.191 30.682 1.00 0.00 H new ATOM 793 N ALA A 48 -0.736 27.306 31.334 1.00 0.00 N ATOM 794 CA ALA A 48 -1.769 26.487 30.713 1.00 0.00 C ATOM 795 C ALA A 48 -2.745 27.345 29.916 1.00 0.00 C ATOM 796 O ALA A 48 -3.607 28.026 30.473 1.00 0.00 O ATOM 797 CB ALA A 48 -2.511 25.682 31.770 1.00 0.00 C ATOM 0 H ALA A 48 -1.072 28.189 31.718 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.284 25.798 30.021 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.280 25.075 31.292 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.809 25.033 32.292 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.977 26.361 32.484 1.00 0.00 H new ATOM 803 N PRO A 49 -2.609 27.315 28.582 1.00 0.00 N ATOM 804 CA PRO A 49 -1.587 26.508 27.909 1.00 0.00 C ATOM 805 C PRO A 49 -0.179 27.048 28.138 1.00 0.00 C ATOM 806 O PRO A 49 0.013 28.179 28.585 1.00 0.00 O ATOM 807 CB PRO A 49 -1.967 26.617 26.430 1.00 0.00 C ATOM 808 CG PRO A 49 -2.714 27.901 26.324 1.00 0.00 C ATOM 809 CD PRO A 49 -3.443 28.065 27.629 1.00 0.00 C ATOM 0 HA PRO A 49 -1.564 25.485 28.283 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.082 26.620 25.793 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.583 25.774 26.116 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.034 28.735 26.149 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.412 27.878 25.487 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.531 29.114 27.911 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.455 27.663 27.577 1.00 0.00 H new ATOM 817 N PRO A 50 0.830 26.222 27.826 1.00 0.00 N ATOM 818 CA PRO A 50 2.238 26.596 27.989 1.00 0.00 C ATOM 819 C PRO A 50 2.674 27.663 26.991 1.00 0.00 C ATOM 820 O PRO A 50 1.876 28.132 26.179 1.00 0.00 O ATOM 821 CB PRO A 50 2.985 25.285 27.730 1.00 0.00 C ATOM 822 CG PRO A 50 2.069 24.492 26.864 1.00 0.00 C ATOM 823 CD PRO A 50 0.675 24.860 27.290 1.00 0.00 C ATOM 0 HA PRO A 50 2.434 27.028 28.970 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.940 25.464 27.236 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.201 24.762 28.661 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.229 24.724 25.811 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.245 23.423 26.985 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.021 24.835 26.452 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.291 24.173 28.044 1.00 0.00 H new ATOM 831 N LYS A 51 3.945 28.045 27.057 1.00 0.00 N ATOM 832 CA LYS A 51 4.488 29.056 26.158 1.00 0.00 C ATOM 833 C LYS A 51 5.673 28.505 25.371 1.00 0.00 C ATOM 834 O LYS A 51 6.300 27.527 25.778 1.00 0.00 O ATOM 835 CB LYS A 51 4.920 30.293 26.950 1.00 0.00 C ATOM 836 CG LYS A 51 3.810 31.312 27.140 1.00 0.00 C ATOM 837 CD LYS A 51 4.342 32.617 27.706 1.00 0.00 C ATOM 838 CE LYS A 51 3.524 33.807 27.228 1.00 0.00 C ATOM 839 NZ LYS A 51 2.363 34.078 28.121 1.00 0.00 N ATOM 0 H LYS A 51 4.619 27.669 27.724 1.00 0.00 H new ATOM 0 HA LYS A 51 3.705 29.337 25.453 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.285 29.979 27.928 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.755 30.769 26.436 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.321 31.501 26.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.053 30.906 27.810 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.325 32.576 28.795 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.383 32.746 27.408 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.161 34.690 27.182 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.167 33.619 26.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.080 35.075 28.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.567 33.466 27.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.630 33.883 29.107 1.00 0.00 H new ATOM 853 N PHE A 52 5.974 29.139 24.243 1.00 0.00 N ATOM 854 CA PHE A 52 7.084 28.712 23.399 1.00 0.00 C ATOM 855 C PHE A 52 7.865 29.915 22.878 1.00 0.00 C ATOM 856 O PHE A 52 7.307 30.994 22.683 1.00 0.00 O ATOM 857 CB PHE A 52 6.568 27.878 22.225 1.00 0.00 C ATOM 858 CG PHE A 52 5.860 26.622 22.647 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.566 26.672 23.138 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.490 25.391 22.553 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.912 25.518 23.527 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.841 24.234 22.940 1.00 0.00 C ATOM 863 CZ PHE A 52 4.551 24.297 23.429 1.00 0.00 C ATOM 0 H PHE A 52 5.465 29.950 23.892 1.00 0.00 H new ATOM 0 HA PHE A 52 7.753 28.100 24.004 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.888 28.486 21.629 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.407 27.614 21.581 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.062 27.624 23.218 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.499 25.335 22.173 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.903 25.571 23.907 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.342 23.281 22.860 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.043 23.394 23.734 1.00 0.00 H new ATOM 873 N TYR A 53 9.160 29.720 22.656 1.00 0.00 N ATOM 874 CA TYR A 53 10.020 30.788 22.161 1.00 0.00 C ATOM 875 C TYR A 53 10.243 30.656 20.658 1.00 0.00 C ATOM 876 O TYR A 53 10.730 29.632 20.178 1.00 0.00 O ATOM 877 CB TYR A 53 11.365 30.769 22.891 1.00 0.00 C ATOM 878 CG TYR A 53 12.033 32.123 22.964 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.335 33.242 23.401 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.364 32.283 22.597 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.942 34.481 23.469 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.979 33.518 22.662 1.00 0.00 C ATOM 883 CZ TYR A 53 13.264 34.614 23.099 1.00 0.00 C ATOM 884 OH TYR A 53 13.873 35.847 23.166 1.00 0.00 O ATOM 0 H TYR A 53 9.637 28.832 22.811 1.00 0.00 H new ATOM 0 HA TYR A 53 9.523 31.739 22.354 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.215 30.392 23.903 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.033 30.070 22.387 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.300 33.141 23.693 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.927 31.427 22.255 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.384 35.341 23.810 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.014 33.625 22.372 1.00 0.00 H new ATOM 0 HH TYR A 53 14.804 35.768 22.871 1.00 0.00 H new ATOM 894 N VAL A 54 9.883 31.700 19.919 1.00 0.00 N ATOM 895 CA VAL A 54 10.045 31.704 18.469 1.00 0.00 C ATOM 896 C VAL A 54 10.923 32.865 18.017 1.00 0.00 C ATOM 897 O VAL A 54 10.994 33.899 18.681 1.00 0.00 O ATOM 898 CB VAL A 54 8.684 31.793 17.753 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.922 30.484 17.888 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.869 32.954 18.304 1.00 0.00 C ATOM 0 H VAL A 54 9.477 32.555 20.300 1.00 0.00 H new ATOM 0 HA VAL A 54 10.527 30.764 18.201 1.00 0.00 H new ATOM 0 HB VAL A 54 8.861 31.973 16.693 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.963 30.567 17.376 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.503 29.677 17.442 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.752 30.269 18.943 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.910 33.003 17.788 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.699 32.806 19.370 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.413 33.886 18.149 1.00 0.00 H new ATOM 910 N HIS A 55 11.590 32.688 16.881 1.00 0.00 N ATOM 911 CA HIS A 55 12.463 33.722 16.337 1.00 0.00 C ATOM 912 C HIS A 55 12.113 34.019 14.883 1.00 0.00 C ATOM 913 O HIS A 55 12.049 33.113 14.051 1.00 0.00 O ATOM 914 CB HIS A 55 13.926 33.291 16.444 1.00 0.00 C ATOM 915 CG HIS A 55 14.831 34.000 15.484 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.762 35.357 15.247 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.830 33.533 14.700 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.679 35.693 14.358 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.341 34.605 14.010 1.00 0.00 N ATOM 0 H HIS A 55 11.543 31.838 16.319 1.00 0.00 H new ATOM 0 HA HIS A 55 12.316 34.631 16.920 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.276 33.471 17.461 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.994 32.217 16.269 1.00 0.00 H new ATOM 0 HD1 HIS A 55 14.105 36.000 15.689 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.163 32.508 14.630 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.857 36.689 13.980 1.00 0.00 H new ATOM 927 N TYR A 56 11.887 35.293 14.582 1.00 0.00 N ATOM 928 CA TYR A 56 11.541 35.710 13.229 1.00 0.00 C ATOM 929 C TYR A 56 12.770 35.701 12.324 1.00 0.00 C ATOM 930 O TYR A 56 13.661 36.540 12.460 1.00 0.00 O ATOM 931 CB TYR A 56 10.916 37.106 13.246 1.00 0.00 C ATOM 932 CG TYR A 56 9.637 37.187 14.048 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.439 36.706 13.534 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.627 37.744 15.321 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.268 36.779 14.263 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.461 37.820 16.058 1.00 0.00 C ATOM 937 CZ TYR A 56 7.284 37.337 15.525 1.00 0.00 C ATOM 938 OH TYR A 56 6.120 37.410 16.255 1.00 0.00 O ATOM 0 H TYR A 56 11.937 36.055 15.258 1.00 0.00 H new ATOM 0 HA TYR A 56 10.815 35.000 12.832 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.637 37.813 13.656 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.713 37.416 12.221 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.423 36.267 12.547 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.546 38.124 15.741 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.345 36.402 13.848 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.471 38.255 17.046 1.00 0.00 H new ATOM 0 HH TYR A 56 5.766 36.507 16.397 1.00 0.00 H new ATOM 948 N VAL A 57 12.810 34.747 11.400 1.00 0.00 N ATOM 949 CA VAL A 57 13.927 34.629 10.471 1.00 0.00 C ATOM 950 C VAL A 57 14.068 35.884 9.618 1.00 0.00 C ATOM 951 O VAL A 57 15.162 36.220 9.166 1.00 0.00 O ATOM 952 CB VAL A 57 13.761 33.409 9.546 1.00 0.00 C ATOM 953 CG1 VAL A 57 14.949 33.287 8.603 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.588 32.138 10.365 1.00 0.00 C ATOM 0 H VAL A 57 12.081 34.044 11.275 1.00 0.00 H new ATOM 0 HA VAL A 57 14.826 34.500 11.073 1.00 0.00 H new ATOM 0 HB VAL A 57 12.863 33.552 8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.813 32.419 7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.022 34.186 7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.864 33.168 9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.472 31.286 9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.466 31.988 10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.702 32.228 10.994 1.00 0.00 H new ATOM 964 N ASN A 58 12.953 36.575 9.403 1.00 0.00 N ATOM 965 CA ASN A 58 12.952 37.795 8.604 1.00 0.00 C ATOM 966 C ASN A 58 13.682 38.921 9.330 1.00 0.00 C ATOM 967 O ASN A 58 14.127 39.888 8.710 1.00 0.00 O ATOM 968 CB ASN A 58 11.517 38.222 8.289 1.00 0.00 C ATOM 969 CG ASN A 58 10.833 37.277 7.320 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.106 37.296 6.120 1.00 0.00 O ATOM 971 ND2 ASN A 58 9.937 36.445 7.838 1.00 0.00 N ATOM 0 H ASN A 58 12.039 36.311 9.771 1.00 0.00 H new ATOM 0 HA ASN A 58 13.476 37.589 7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.943 38.268 9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.524 39.227 7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.444 35.787 7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.742 36.464 8.839 1.00 0.00 H new ATOM 978 N TYR A 59 13.802 38.789 10.646 1.00 0.00 N ATOM 979 CA TYR A 59 14.476 39.796 11.457 1.00 0.00 C ATOM 980 C TYR A 59 15.656 39.189 12.210 1.00 0.00 C ATOM 981 O TYR A 59 16.015 38.033 11.994 1.00 0.00 O ATOM 982 CB TYR A 59 13.494 40.425 12.447 1.00 0.00 C ATOM 983 CG TYR A 59 12.299 41.074 11.785 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.430 42.271 11.091 1.00 0.00 C ATOM 985 CD2 TYR A 59 11.040 40.490 11.854 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.341 42.868 10.486 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.946 41.079 11.250 1.00 0.00 C ATOM 988 CZ TYR A 59 10.101 42.268 10.568 1.00 0.00 C ATOM 989 OH TYR A 59 9.015 42.859 9.965 1.00 0.00 O ATOM 0 H TYR A 59 13.441 37.994 11.174 1.00 0.00 H new ATOM 0 HA TYR A 59 14.854 40.570 10.789 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.144 39.657 13.137 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.019 41.172 13.042 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.399 42.742 11.024 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.915 39.560 12.389 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.459 43.799 9.952 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.975 40.611 11.311 1.00 0.00 H new ATOM 0 HH TYR A 59 8.218 42.309 10.115 1.00 0.00 H new ATOM 999 N ASN A 60 16.253 39.979 13.096 1.00 0.00 N ATOM 1000 CA ASN A 60 17.393 39.520 13.883 1.00 0.00 C ATOM 1001 C ASN A 60 16.933 38.667 15.061 1.00 0.00 C ATOM 1002 O ASN A 60 15.737 38.547 15.325 1.00 0.00 O ATOM 1003 CB ASN A 60 18.203 40.715 14.389 1.00 0.00 C ATOM 1004 CG ASN A 60 19.080 41.319 13.309 1.00 0.00 C ATOM 1005 OD1 ASN A 60 18.458 41.768 12.225 1.00 0.00 O flip ATOM 1006 ND2 ASN A 60 20.301 41.382 13.448 1.00 0.00 N flip ATOM 0 H ASN A 60 15.967 40.939 13.287 1.00 0.00 H new ATOM 0 HA ASN A 60 18.025 38.908 13.239 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.522 41.477 14.769 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.827 40.400 15.225 1.00 0.00 H new ATOM 0 HD21 ASN A 60 20.737 41.024 14.298 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.877 41.792 12.713 1.00 0.00 H new ATOM 1013 N LYS A 61 17.892 38.077 15.766 1.00 0.00 N ATOM 1014 CA LYS A 61 17.587 37.236 16.918 1.00 0.00 C ATOM 1015 C LYS A 61 17.047 38.072 18.074 1.00 0.00 C ATOM 1016 O LYS A 61 16.545 37.533 19.060 1.00 0.00 O ATOM 1017 CB LYS A 61 18.838 36.476 17.366 1.00 0.00 C ATOM 1018 CG LYS A 61 20.000 37.381 17.735 1.00 0.00 C ATOM 1019 CD LYS A 61 21.024 37.460 16.615 1.00 0.00 C ATOM 1020 CE LYS A 61 22.437 37.597 17.161 1.00 0.00 C ATOM 1021 NZ LYS A 61 22.652 38.916 17.819 1.00 0.00 N ATOM 0 H LYS A 61 18.887 38.165 15.560 1.00 0.00 H new ATOM 0 HA LYS A 61 16.821 36.520 16.621 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.587 35.853 18.225 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.151 35.805 16.566 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.627 38.380 17.959 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.479 37.009 18.641 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.957 36.566 15.996 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.797 38.311 15.972 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.629 36.798 17.877 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.154 37.475 16.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.627 38.970 18.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 22.494 39.678 17.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 21.985 39.022 18.610 1.00 0.00 H new ATOM 1035 N ARG A 62 17.151 39.390 17.944 1.00 0.00 N ATOM 1036 CA ARG A 62 16.672 40.300 18.978 1.00 0.00 C ATOM 1037 C ARG A 62 15.169 40.526 18.850 1.00 0.00 C ATOM 1038 O ARG A 62 14.573 41.270 19.630 1.00 0.00 O ATOM 1039 CB ARG A 62 17.409 41.638 18.892 1.00 0.00 C ATOM 1040 CG ARG A 62 17.132 42.404 17.609 1.00 0.00 C ATOM 1041 CD ARG A 62 17.785 43.777 17.628 1.00 0.00 C ATOM 1042 NE ARG A 62 17.329 44.616 16.523 1.00 0.00 N ATOM 1043 CZ ARG A 62 16.156 45.240 16.510 1.00 0.00 C ATOM 1044 NH1 ARG A 62 15.326 45.120 17.537 1.00 0.00 N ATOM 1045 NH2 ARG A 62 15.812 45.985 15.468 1.00 0.00 N ATOM 0 H ARG A 62 17.563 39.852 17.133 1.00 0.00 H new ATOM 0 HA ARG A 62 16.872 39.845 19.948 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.123 42.256 19.743 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.481 41.459 18.974 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.504 41.835 16.757 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.056 42.514 17.474 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.563 44.271 18.574 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.868 43.664 17.574 1.00 0.00 H new ATOM 0 HE ARG A 62 17.944 44.729 15.717 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.587 44.548 18.340 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.426 45.600 17.524 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.448 46.079 14.676 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.911 46.464 15.458 1.00 0.00 H new ATOM 1059 N LEU A 63 14.561 39.880 17.861 1.00 0.00 N ATOM 1060 CA LEU A 63 13.127 40.011 17.629 1.00 0.00 C ATOM 1061 C LEU A 63 12.370 38.826 18.221 1.00 0.00 C ATOM 1062 O LEU A 63 11.141 38.772 18.166 1.00 0.00 O ATOM 1063 CB LEU A 63 12.840 40.116 16.130 1.00 0.00 C ATOM 1064 CG LEU A 63 12.598 41.526 15.591 1.00 0.00 C ATOM 1065 CD1 LEU A 63 11.424 42.177 16.304 1.00 0.00 C ATOM 1066 CD2 LEU A 63 13.852 42.376 15.739 1.00 0.00 C ATOM 0 H LEU A 63 15.039 39.260 17.207 1.00 0.00 H new ATOM 0 HA LEU A 63 12.786 40.921 18.123 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.680 39.681 15.588 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.965 39.507 15.904 1.00 0.00 H new ATOM 0 HG LEU A 63 12.356 41.452 14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.268 43.180 15.906 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.526 41.580 16.146 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.636 42.239 17.371 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.661 43.376 15.350 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.125 42.442 16.792 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.669 41.919 15.181 1.00 0.00 H new ATOM 1078 N ASP A 64 13.111 37.881 18.789 1.00 0.00 N ATOM 1079 CA ASP A 64 12.509 36.699 19.395 1.00 0.00 C ATOM 1080 C ASP A 64 11.394 37.091 20.360 1.00 0.00 C ATOM 1081 O ASP A 64 11.406 38.183 20.927 1.00 0.00 O ATOM 1082 CB ASP A 64 13.571 35.880 20.131 1.00 0.00 C ATOM 1083 CG ASP A 64 14.709 35.460 19.222 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.611 35.696 18.000 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.698 34.893 19.732 1.00 0.00 O ATOM 0 H ASP A 64 14.129 37.910 18.842 1.00 0.00 H new ATOM 0 HA ASP A 64 12.080 36.092 18.598 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.969 36.466 20.959 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.107 34.993 20.562 1.00 0.00 H new ATOM 1090 N GLU A 65 10.430 36.193 20.538 1.00 0.00 N ATOM 1091 CA GLU A 65 9.306 36.446 21.432 1.00 0.00 C ATOM 1092 C GLU A 65 8.696 35.137 21.924 1.00 0.00 C ATOM 1093 O GLU A 65 8.935 34.074 21.350 1.00 0.00 O ATOM 1094 CB GLU A 65 8.241 37.284 20.723 1.00 0.00 C ATOM 1095 CG GLU A 65 7.520 36.538 19.612 1.00 0.00 C ATOM 1096 CD GLU A 65 6.341 37.314 19.058 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.401 38.561 19.051 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.358 36.673 18.631 1.00 0.00 O ATOM 0 H GLU A 65 10.405 35.284 20.075 1.00 0.00 H new ATOM 0 HA GLU A 65 9.678 36.999 22.294 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.509 37.622 21.456 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.710 38.175 20.306 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.223 36.327 18.806 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.172 35.577 19.991 1.00 0.00 H new ATOM 1105 N TRP A 66 7.908 35.222 22.989 1.00 0.00 N ATOM 1106 CA TRP A 66 7.263 34.044 23.559 1.00 0.00 C ATOM 1107 C TRP A 66 5.811 33.946 23.106 1.00 0.00 C ATOM 1108 O TRP A 66 4.948 34.675 23.595 1.00 0.00 O ATOM 1109 CB TRP A 66 7.332 34.088 25.086 1.00 0.00 C ATOM 1110 CG TRP A 66 8.664 33.671 25.633 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.687 34.491 26.013 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.116 32.331 25.859 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.748 33.742 26.461 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.423 32.414 26.378 1.00 0.00 C ATOM 1115 CE3 TRP A 66 8.543 31.070 25.675 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.163 31.284 26.713 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 9.280 29.949 26.008 1.00 0.00 C ATOM 1118 CH2 TRP A 66 10.578 30.062 26.522 1.00 0.00 C ATOM 0 H TRP A 66 7.700 36.094 23.476 1.00 0.00 H new ATOM 0 HA TRP A 66 7.795 33.162 23.204 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.109 35.100 25.424 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.559 33.438 25.496 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.665 35.570 25.968 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.635 34.115 26.801 1.00 0.00 H new ATOM 0 HE3 TRP A 66 7.543 30.973 25.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.164 31.369 27.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 8.848 28.969 25.869 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.128 29.167 26.773 1.00 0.00 H new ATOM 1129 N ILE A 67 5.547 33.040 22.170 1.00 0.00 N ATOM 1130 CA ILE A 67 4.198 32.847 21.653 1.00 0.00 C ATOM 1131 C ILE A 67 3.544 31.615 22.270 1.00 0.00 C ATOM 1132 O ILE A 67 4.224 30.659 22.644 1.00 0.00 O ATOM 1133 CB ILE A 67 4.198 32.700 20.120 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.050 31.500 19.701 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.711 33.975 19.466 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.796 31.045 18.281 1.00 0.00 C ATOM 0 H ILE A 67 6.250 32.428 21.754 1.00 0.00 H new ATOM 0 HA ILE A 67 3.626 33.734 21.925 1.00 0.00 H new ATOM 0 HB ILE A 67 3.175 32.529 19.786 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.104 31.758 19.808 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.854 30.670 20.380 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.705 33.856 18.383 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.068 34.810 19.743 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.728 34.173 19.804 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.434 30.191 18.053 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.751 30.756 18.173 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.020 31.860 17.592 1.00 0.00 H new ATOM 1148 N THR A 68 2.219 31.644 22.373 1.00 0.00 N ATOM 1149 CA THR A 68 1.472 30.531 22.944 1.00 0.00 C ATOM 1150 C THR A 68 0.869 29.656 21.851 1.00 0.00 C ATOM 1151 O THR A 68 0.995 29.952 20.662 1.00 0.00 O ATOM 1152 CB THR A 68 0.346 31.026 23.870 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.170 32.273 23.391 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.851 31.195 25.295 1.00 0.00 C ATOM 0 H THR A 68 1.641 32.427 22.068 1.00 0.00 H new ATOM 0 HA THR A 68 2.179 29.942 23.528 1.00 0.00 H new ATOM 0 HB THR A 68 -0.448 30.280 23.869 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.887 32.580 23.985 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.037 31.545 25.930 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.216 30.238 25.668 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.662 31.923 25.310 1.00 0.00 H new ATOM 1162 N THR A 69 0.210 28.576 22.260 1.00 0.00 N ATOM 1163 CA THR A 69 -0.413 27.657 21.316 1.00 0.00 C ATOM 1164 C THR A 69 -1.364 28.394 20.379 1.00 0.00 C ATOM 1165 O THR A 69 -1.357 28.168 19.169 1.00 0.00 O ATOM 1166 CB THR A 69 -1.189 26.543 22.044 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.317 27.099 22.729 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.292 25.821 23.038 1.00 0.00 C ATOM 0 H THR A 69 0.094 28.317 23.240 1.00 0.00 H new ATOM 0 HA THR A 69 0.392 27.208 20.734 1.00 0.00 H new ATOM 0 HB THR A 69 -1.534 25.825 21.300 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.806 26.384 23.188 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.861 25.039 23.540 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.551 25.375 22.510 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.078 26.532 23.777 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.181 29.275 20.946 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.138 30.046 20.160 1.00 0.00 C ATOM 1178 C ASP A 70 -2.418 31.002 19.215 1.00 0.00 C ATOM 1179 O ASP A 70 -3.024 31.558 18.299 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.074 30.829 21.083 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.092 29.937 21.766 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.163 28.740 21.416 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.817 30.436 22.651 1.00 0.00 O ATOM 0 H ASP A 70 -2.200 29.473 21.946 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.728 29.350 19.564 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.484 31.347 21.839 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.594 31.593 20.505 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.123 31.190 19.444 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.321 32.081 18.614 1.00 0.00 C ATOM 1190 C ARG A 71 0.474 31.291 17.578 1.00 0.00 C ATOM 1191 O ARG A 71 1.354 31.835 16.910 1.00 0.00 O ATOM 1192 CB ARG A 71 0.631 32.904 19.484 1.00 0.00 C ATOM 1193 CG ARG A 71 -0.074 33.934 20.351 1.00 0.00 C ATOM 1194 CD ARG A 71 0.827 35.123 20.647 1.00 0.00 C ATOM 1195 NE ARG A 71 0.246 36.015 21.646 1.00 0.00 N ATOM 1196 CZ ARG A 71 0.622 37.278 21.812 1.00 0.00 C ATOM 1197 NH1 ARG A 71 1.574 37.796 21.047 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.045 38.027 22.743 1.00 0.00 N ATOM 0 H ARG A 71 -0.606 30.737 20.198 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.998 32.755 18.090 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.199 32.230 20.125 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.349 33.413 18.841 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.978 34.277 19.848 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.386 33.471 21.287 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.795 34.766 20.999 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.008 35.678 19.727 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.489 35.648 22.250 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.019 37.224 20.329 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.861 38.766 21.177 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.688 37.633 23.332 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.335 38.997 22.869 1.00 0.00 H new ATOM 1212 N ILE A 72 0.158 30.007 17.451 1.00 0.00 N ATOM 1213 CA ILE A 72 0.842 29.143 16.497 1.00 0.00 C ATOM 1214 C ILE A 72 -0.085 28.744 15.354 1.00 0.00 C ATOM 1215 O ILE A 72 -1.279 28.530 15.555 1.00 0.00 O ATOM 1216 CB ILE A 72 1.379 27.869 17.176 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.367 28.234 18.285 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.039 26.960 16.149 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.545 27.143 19.319 1.00 0.00 C ATOM 0 H ILE A 72 -0.567 29.542 17.997 1.00 0.00 H new ATOM 0 HA ILE A 72 1.681 29.714 16.099 1.00 0.00 H new ATOM 0 HB ILE A 72 0.542 27.333 17.623 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.335 28.461 17.838 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.024 29.142 18.782 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.414 26.064 16.644 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.309 26.677 15.391 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.868 27.487 15.676 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.259 27.471 20.074 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.587 26.931 19.793 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.918 26.240 18.835 1.00 0.00 H new ATOM 1231 N ASN A 73 0.475 28.645 14.152 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.301 28.271 12.976 1.00 0.00 C ATOM 1233 C ASN A 73 -0.108 26.794 12.644 1.00 0.00 C ATOM 1234 O ASN A 73 0.946 26.389 12.153 1.00 0.00 O ATOM 1235 CB ASN A 73 0.104 29.131 11.777 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.752 28.860 10.555 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -0.703 27.774 9.977 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -1.544 29.849 10.156 1.00 0.00 N ATOM 0 H ASN A 73 1.463 28.819 13.968 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.355 28.441 13.198 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.025 30.184 12.046 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.150 28.941 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.144 29.725 9.340 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.552 30.733 10.665 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.133 25.994 12.917 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.078 24.561 12.647 1.00 0.00 C ATOM 1247 C LEU A 74 -1.684 24.240 11.285 1.00 0.00 C ATOM 1248 O LEU A 74 -2.090 23.106 11.027 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.816 23.788 13.741 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.999 23.445 14.988 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.056 22.399 14.665 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.353 24.698 15.563 1.00 0.00 C ATOM 0 H LEU A 74 -2.012 26.313 13.325 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.031 24.257 12.639 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.683 24.372 14.049 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.193 22.860 13.311 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.673 23.031 15.738 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.627 22.168 15.564 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.429 21.493 14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.728 22.784 13.898 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.224 24.436 16.450 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.308 25.141 14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.128 25.415 15.834 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.739 25.243 10.416 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.292 25.067 9.078 1.00 0.00 C ATOM 1266 C ASP A 75 -1.179 24.891 8.049 1.00 0.00 C ATOM 1267 O ASP A 75 -1.399 24.343 6.969 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.166 26.264 8.702 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.625 26.049 9.055 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.901 25.578 10.178 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.491 26.349 8.207 1.00 0.00 O ATOM 0 H ASP A 75 -1.407 26.187 10.614 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.906 24.166 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.799 27.153 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.078 26.453 7.632 1.00 0.00 H new ATOM 1276 N LYS A 76 0.016 25.361 8.391 1.00 0.00 N ATOM 1277 CA LYS A 76 1.164 25.256 7.499 1.00 0.00 C ATOM 1278 C LYS A 76 2.058 24.087 7.898 1.00 0.00 C ATOM 1279 O LYS A 76 2.188 23.768 9.079 1.00 0.00 O ATOM 1280 CB LYS A 76 1.969 26.557 7.516 1.00 0.00 C ATOM 1281 CG LYS A 76 1.649 27.487 6.358 1.00 0.00 C ATOM 1282 CD LYS A 76 0.526 28.449 6.710 1.00 0.00 C ATOM 1283 CE LYS A 76 0.676 29.772 5.975 1.00 0.00 C ATOM 1284 NZ LYS A 76 1.464 30.759 6.764 1.00 0.00 N ATOM 0 H LYS A 76 0.214 25.819 9.281 1.00 0.00 H new ATOM 0 HA LYS A 76 0.793 25.078 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.779 27.079 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.032 26.317 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.541 28.051 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.365 26.899 5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.434 27.998 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.522 28.627 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.164 29.601 5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.311 30.183 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.458 31.678 6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.041 30.865 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.444 30.424 6.859 1.00 0.00 H new ATOM 1298 N GLU A 77 2.674 23.453 6.905 1.00 0.00 N ATOM 1299 CA GLU A 77 3.557 22.319 7.154 1.00 0.00 C ATOM 1300 C GLU A 77 4.665 22.698 8.132 1.00 0.00 C ATOM 1301 O GLU A 77 5.164 23.823 8.116 1.00 0.00 O ATOM 1302 CB GLU A 77 4.167 21.821 5.842 1.00 0.00 C ATOM 1303 CG GLU A 77 3.144 21.606 4.738 1.00 0.00 C ATOM 1304 CD GLU A 77 3.632 20.646 3.671 1.00 0.00 C ATOM 1305 OE1 GLU A 77 3.628 19.423 3.925 1.00 0.00 O ATOM 1306 OE2 GLU A 77 4.018 21.118 2.581 1.00 0.00 O ATOM 0 H GLU A 77 2.578 23.705 5.921 1.00 0.00 H new ATOM 0 HA GLU A 77 2.963 21.519 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.911 22.541 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.691 20.884 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.221 21.222 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.905 22.565 4.277 1.00 0.00 H new ATOM 1313 N VAL A 78 5.046 21.750 8.982 1.00 0.00 N ATOM 1314 CA VAL A 78 6.095 21.982 9.967 1.00 0.00 C ATOM 1315 C VAL A 78 7.426 21.402 9.500 1.00 0.00 C ATOM 1316 O VAL A 78 7.476 20.304 8.944 1.00 0.00 O ATOM 1317 CB VAL A 78 5.731 21.368 11.331 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.875 21.541 12.318 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.452 21.990 11.871 1.00 0.00 C ATOM 0 H VAL A 78 4.643 20.813 9.008 1.00 0.00 H new ATOM 0 HA VAL A 78 6.191 23.062 10.077 1.00 0.00 H new ATOM 0 HB VAL A 78 5.560 20.300 11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.599 21.101 13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.766 21.044 11.934 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.082 22.603 12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.210 21.544 12.836 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.593 23.064 11.993 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.636 21.808 11.172 1.00 0.00 H new ATOM 1329 N LEU A 79 8.502 22.146 9.729 1.00 0.00 N ATOM 1330 CA LEU A 79 9.835 21.706 9.332 1.00 0.00 C ATOM 1331 C LEU A 79 10.593 21.126 10.522 1.00 0.00 C ATOM 1332 O LEU A 79 10.741 21.779 11.555 1.00 0.00 O ATOM 1333 CB LEU A 79 10.621 22.873 8.731 1.00 0.00 C ATOM 1334 CG LEU A 79 10.159 23.355 7.356 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.048 24.485 6.860 1.00 0.00 C ATOM 1336 CD2 LEU A 79 10.153 22.204 6.361 1.00 0.00 C ATOM 0 H LEU A 79 8.478 23.057 10.188 1.00 0.00 H new ATOM 0 HA LEU A 79 9.724 20.925 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.572 23.713 9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.668 22.580 8.658 1.00 0.00 H new ATOM 0 HG LEU A 79 9.141 23.734 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.704 24.815 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.002 25.319 7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.076 24.132 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.821 22.566 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.159 21.795 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.474 21.426 6.709 1.00 0.00 H new ATOM 1348 N TYR A 80 11.074 19.897 10.368 1.00 0.00 N ATOM 1349 CA TYR A 80 11.817 19.229 11.430 1.00 0.00 C ATOM 1350 C TYR A 80 13.213 18.839 10.954 1.00 0.00 C ATOM 1351 O TYR A 80 13.471 18.686 9.760 1.00 0.00 O ATOM 1352 CB TYR A 80 11.062 17.986 11.905 1.00 0.00 C ATOM 1353 CG TYR A 80 9.821 18.302 12.709 1.00 0.00 C ATOM 1354 CD1 TYR A 80 9.915 18.751 14.021 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.555 18.152 12.157 1.00 0.00 C ATOM 1356 CE1 TYR A 80 8.784 19.040 14.759 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.418 18.440 12.887 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.538 18.884 14.188 1.00 0.00 C ATOM 1359 OH TYR A 80 6.408 19.171 14.919 1.00 0.00 O ATOM 0 H TYR A 80 10.963 19.344 9.518 1.00 0.00 H new ATOM 0 HA TYR A 80 11.917 19.925 12.263 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.781 17.389 11.038 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.731 17.374 12.510 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.889 18.876 14.471 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.458 17.804 11.139 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.875 19.386 15.778 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.441 18.318 12.442 1.00 0.00 H new ATOM 0 HH TYR A 80 6.496 18.794 15.819 1.00 0.00 H new ATOM 1369 N PRO A 81 14.138 18.672 11.912 1.00 0.00 N ATOM 1370 CA PRO A 81 15.524 18.296 11.617 1.00 0.00 C ATOM 1371 C PRO A 81 15.641 16.860 11.117 1.00 0.00 C ATOM 1372 O PRO A 81 14.702 16.072 11.234 1.00 0.00 O ATOM 1373 CB PRO A 81 16.228 18.451 12.967 1.00 0.00 C ATOM 1374 CG PRO A 81 15.149 18.276 13.980 1.00 0.00 C ATOM 1375 CD PRO A 81 13.901 18.836 13.356 1.00 0.00 C ATOM 0 HA PRO A 81 15.953 18.909 10.824 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.013 17.705 13.092 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.701 19.429 13.057 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.020 17.224 14.235 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.392 18.800 14.904 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.012 18.296 13.681 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.753 19.883 13.623 1.00 0.00 H new