USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -143:sc= 0.266 (180deg=0.000681) USER MOD Single : A 16 ASN : amide:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 17 SER OG : rot 180:sc=-0.000161 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.351 USER MOD Single : A 26 GLN : amide:sc= -0.229 K(o=-0.23,f=-3.7!) USER MOD Single : A 27 CYS SG : rot -83:sc= -1.64! USER MOD Single : A 30 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.2!) USER MOD Single : A 45 THR OG1 : rot 60:sc= 0.417 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -152:sc= 0.843 USER MOD Single : A 55 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-2) USER MOD Single : A 56 TYR OH : rot 130:sc= -1.22 USER MOD Single : A 58 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.62) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,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= -0.0569 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 73 ASN : amide:sc= 0.303 K(o=0.3,f=-8.6!) USER MOD Single : A 76 LYS NZ :NH3+ -117:sc= -0.387 (180deg=-2.63!) USER MOD Single : A 80 TYR OH : rot -1:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.942 17.291 6.947 1.00 0.00 N ATOM 174 CA ILE A 11 11.663 16.592 6.929 1.00 0.00 C ATOM 175 C ILE A 11 10.503 17.562 7.133 1.00 0.00 C ATOM 176 O ILE A 11 10.424 18.244 8.153 1.00 0.00 O ATOM 177 CB ILE A 11 11.602 15.501 8.014 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.797 14.555 7.884 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.295 14.729 7.915 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.007 14.997 8.678 1.00 0.00 C ATOM 0 HA ILE A 11 11.574 16.123 5.949 1.00 0.00 H new ATOM 0 HB ILE A 11 11.646 15.979 8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.500 13.560 8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.073 14.473 6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.266 13.961 8.688 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.457 15.413 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.224 14.259 6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.816 14.279 8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.330 15.979 8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.748 15.051 9.735 1.00 0.00 H new ATOM 192 N ALA A 12 9.605 17.615 6.155 1.00 0.00 N ATOM 193 CA ALA A 12 8.447 18.498 6.229 1.00 0.00 C ATOM 194 C ALA A 12 7.179 17.714 6.548 1.00 0.00 C ATOM 195 O ALA A 12 6.765 16.844 5.783 1.00 0.00 O ATOM 196 CB ALA A 12 8.283 19.262 4.923 1.00 0.00 C ATOM 0 H ALA A 12 9.657 17.057 5.303 1.00 0.00 H new ATOM 0 HA ALA A 12 8.615 19.211 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.415 19.918 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.175 19.860 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.141 18.557 4.104 1.00 0.00 H new ATOM 202 N LYS A 13 6.566 18.028 7.685 1.00 0.00 N ATOM 203 CA LYS A 13 5.344 17.354 8.107 1.00 0.00 C ATOM 204 C LYS A 13 4.362 18.345 8.724 1.00 0.00 C ATOM 205 O LYS A 13 4.764 19.336 9.333 1.00 0.00 O ATOM 206 CB LYS A 13 5.668 16.247 9.113 1.00 0.00 C ATOM 207 CG LYS A 13 6.024 16.767 10.495 1.00 0.00 C ATOM 208 CD LYS A 13 6.576 15.663 11.381 1.00 0.00 C ATOM 209 CE LYS A 13 7.912 15.149 10.865 1.00 0.00 C ATOM 210 NZ LYS A 13 8.580 14.254 11.849 1.00 0.00 N ATOM 0 H LYS A 13 6.896 18.745 8.331 1.00 0.00 H new ATOM 0 HA LYS A 13 4.881 16.911 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.810 15.579 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.499 15.653 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.761 17.566 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.139 17.200 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.697 16.037 12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.862 14.841 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.757 14.610 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.564 15.993 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.487 13.925 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.751 14.776 12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.969 13.435 12.044 1.00 0.00 H new ATOM 224 N LYS A 14 3.072 18.070 8.564 1.00 0.00 N ATOM 225 CA LYS A 14 2.031 18.935 9.108 1.00 0.00 C ATOM 226 C LYS A 14 1.491 18.376 10.420 1.00 0.00 C ATOM 227 O LYS A 14 0.805 17.353 10.435 1.00 0.00 O ATOM 228 CB LYS A 14 0.891 19.091 8.100 1.00 0.00 C ATOM 229 CG LYS A 14 1.187 20.093 6.997 1.00 0.00 C ATOM 230 CD LYS A 14 0.525 21.433 7.268 1.00 0.00 C ATOM 231 CE LYS A 14 0.090 22.111 5.978 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.386 22.053 5.792 1.00 0.00 N ATOM 0 H LYS A 14 2.722 17.254 8.062 1.00 0.00 H new ATOM 0 HA LYS A 14 2.471 19.913 9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.679 18.121 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.010 19.401 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.265 20.230 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.836 19.699 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.341 21.288 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.218 22.081 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.414 23.152 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.582 21.631 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.604 21.916 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.774 21.260 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.813 22.943 6.120 1.00 0.00 H new ATOM 246 N ILE A 15 1.802 19.054 11.520 1.00 0.00 N ATOM 247 CA ILE A 15 1.344 18.626 12.836 1.00 0.00 C ATOM 248 C ILE A 15 0.133 19.436 13.287 1.00 0.00 C ATOM 249 O ILE A 15 -0.186 20.471 12.704 1.00 0.00 O ATOM 250 CB ILE A 15 2.459 18.761 13.890 1.00 0.00 C ATOM 251 CG1 ILE A 15 3.015 20.186 13.898 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.568 17.755 13.620 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.334 20.704 15.283 1.00 0.00 C ATOM 0 H ILE A 15 2.369 19.902 11.526 1.00 0.00 H new ATOM 0 HA ILE A 15 1.063 17.577 12.747 1.00 0.00 H new ATOM 0 HB ILE A 15 2.036 18.551 14.873 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.919 20.218 13.290 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.291 20.852 13.428 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.348 17.863 14.373 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.161 16.745 13.661 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.990 17.936 12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.724 21.719 15.211 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.428 20.705 15.889 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.081 20.061 15.749 1.00 0.00 H new ATOM 265 N ASN A 16 -0.537 18.956 14.330 1.00 0.00 N ATOM 266 CA ASN A 16 -1.714 19.636 14.860 1.00 0.00 C ATOM 267 C ASN A 16 -1.639 19.746 16.380 1.00 0.00 C ATOM 268 O ASN A 16 -2.649 19.965 17.047 1.00 0.00 O ATOM 269 CB ASN A 16 -2.986 18.889 14.454 1.00 0.00 C ATOM 270 CG ASN A 16 -3.375 19.151 13.012 1.00 0.00 C ATOM 271 OD1 ASN A 16 -3.390 18.238 12.186 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.691 20.403 12.703 1.00 0.00 N ATOM 0 H ASN A 16 -0.286 18.100 14.824 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.742 20.642 14.441 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.837 17.819 14.599 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.805 19.189 15.108 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.960 20.640 11.748 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.665 21.128 13.420 1.00 0.00 H new ATOM 279 N SER A 17 -0.434 19.594 16.920 1.00 0.00 N ATOM 280 CA SER A 17 -0.226 19.673 18.361 1.00 0.00 C ATOM 281 C SER A 17 1.065 20.419 18.684 1.00 0.00 C ATOM 282 O SER A 17 2.133 20.085 18.173 1.00 0.00 O ATOM 283 CB SER A 17 -0.184 18.271 18.970 1.00 0.00 C ATOM 284 OG SER A 17 -1.104 17.407 18.325 1.00 0.00 O ATOM 0 H SER A 17 0.413 19.415 16.381 1.00 0.00 H new ATOM 0 HA SER A 17 -1.061 20.224 18.793 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.823 17.864 18.884 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.416 18.326 20.034 1.00 0.00 H new ATOM 0 HG SER A 17 -1.057 16.517 18.732 1.00 0.00 H new ATOM 290 N VAL A 18 0.957 21.434 19.537 1.00 0.00 N ATOM 291 CA VAL A 18 2.115 22.228 19.930 1.00 0.00 C ATOM 292 C VAL A 18 3.054 21.425 20.824 1.00 0.00 C ATOM 293 O VAL A 18 4.217 21.787 21.003 1.00 0.00 O ATOM 294 CB VAL A 18 1.691 23.510 20.670 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.720 24.319 19.823 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.079 23.169 22.020 1.00 0.00 C ATOM 0 H VAL A 18 0.080 21.725 19.968 1.00 0.00 H new ATOM 0 HA VAL A 18 2.637 22.502 19.013 1.00 0.00 H new ATOM 0 HB VAL A 18 2.578 24.119 20.844 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.431 25.221 20.362 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.199 24.595 18.884 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.167 23.721 19.615 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.785 24.087 22.529 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.202 22.539 21.873 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.811 22.636 22.627 1.00 0.00 H new ATOM 306 N ASP A 19 2.542 20.334 21.382 1.00 0.00 N ATOM 307 CA ASP A 19 3.335 19.478 22.257 1.00 0.00 C ATOM 308 C ASP A 19 4.517 18.878 21.503 1.00 0.00 C ATOM 309 O ASP A 19 5.614 18.752 22.048 1.00 0.00 O ATOM 310 CB ASP A 19 2.465 18.363 22.839 1.00 0.00 C ATOM 311 CG ASP A 19 3.090 17.719 24.061 1.00 0.00 C ATOM 312 OD1 ASP A 19 3.979 18.348 24.674 1.00 0.00 O ATOM 313 OD2 ASP A 19 2.690 16.588 24.406 1.00 0.00 O ATOM 0 H ASP A 19 1.581 20.021 21.244 1.00 0.00 H new ATOM 0 HA ASP A 19 3.721 20.090 23.072 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.489 18.769 23.105 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.297 17.602 22.077 1.00 0.00 H new ATOM 318 N ASP A 20 4.286 18.508 20.248 1.00 0.00 N ATOM 319 CA ASP A 20 5.332 17.921 19.419 1.00 0.00 C ATOM 320 C ASP A 20 6.209 19.005 18.801 1.00 0.00 C ATOM 321 O ASP A 20 6.369 19.068 17.582 1.00 0.00 O ATOM 322 CB ASP A 20 4.715 17.057 18.318 1.00 0.00 C ATOM 323 CG ASP A 20 4.377 15.660 18.800 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.310 15.490 19.425 1.00 0.00 O ATOM 325 OD2 ASP A 20 5.180 14.736 18.552 1.00 0.00 O ATOM 0 H ASP A 20 3.383 18.604 19.783 1.00 0.00 H new ATOM 0 HA ASP A 20 5.956 17.294 20.055 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.811 17.539 17.946 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.409 16.991 17.480 1.00 0.00 H new ATOM 330 N ILE A 21 6.774 19.858 19.650 1.00 0.00 N ATOM 331 CA ILE A 21 7.634 20.939 19.186 1.00 0.00 C ATOM 332 C ILE A 21 8.978 20.919 19.905 1.00 0.00 C ATOM 333 O ILE A 21 9.052 20.619 21.097 1.00 0.00 O ATOM 334 CB ILE A 21 6.972 22.314 19.397 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.681 22.414 18.583 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.934 23.429 19.014 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.933 23.711 18.792 1.00 0.00 C ATOM 0 H ILE A 21 6.651 19.821 20.662 1.00 0.00 H new ATOM 0 HA ILE A 21 7.793 20.781 18.119 1.00 0.00 H new ATOM 0 HB ILE A 21 6.722 22.422 20.452 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.919 22.308 17.525 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.029 21.582 18.848 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.452 24.394 19.168 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.828 23.367 19.634 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.212 23.326 17.965 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.029 23.712 18.184 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.663 23.810 19.843 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.567 24.548 18.500 1.00 0.00 H new ATOM 349 N ILE A 22 10.039 21.241 19.173 1.00 0.00 N ATOM 350 CA ILE A 22 11.381 21.263 19.742 1.00 0.00 C ATOM 351 C ILE A 22 12.140 22.514 19.313 1.00 0.00 C ATOM 352 O ILE A 22 11.597 23.374 18.618 1.00 0.00 O ATOM 353 CB ILE A 22 12.189 20.019 19.327 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.221 19.890 17.803 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.595 18.768 19.958 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.289 18.944 17.299 1.00 0.00 C ATOM 0 H ILE A 22 9.995 21.490 18.185 1.00 0.00 H new ATOM 0 HA ILE A 22 11.264 21.266 20.826 1.00 0.00 H new ATOM 0 HB ILE A 22 13.213 20.132 19.684 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.247 19.545 17.455 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.384 20.875 17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.176 17.897 19.656 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.619 18.862 21.044 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.563 18.648 19.627 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.253 18.902 16.210 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.269 19.300 17.616 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.115 17.948 17.707 1.00 0.00 H new ATOM 368 N ILE A 23 13.399 22.608 19.729 1.00 0.00 N ATOM 369 CA ILE A 23 14.233 23.752 19.384 1.00 0.00 C ATOM 370 C ILE A 23 14.608 23.735 17.906 1.00 0.00 C ATOM 371 O ILE A 23 14.826 24.782 17.297 1.00 0.00 O ATOM 372 CB ILE A 23 15.521 23.784 20.229 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.181 23.949 21.711 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.433 24.908 19.761 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.922 22.639 22.421 1.00 0.00 C ATOM 0 H ILE A 23 13.863 21.906 20.305 1.00 0.00 H new ATOM 0 HA ILE A 23 13.646 24.646 19.596 1.00 0.00 H new ATOM 0 HB ILE A 23 16.046 22.838 20.100 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.001 24.466 22.208 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.300 24.584 21.805 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.339 24.918 20.367 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.698 24.750 18.716 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.917 25.862 19.864 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.687 22.833 23.468 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.082 22.129 21.949 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.810 22.010 22.359 1.00 0.00 H new ATOM 387 N LYS A 24 14.679 22.538 17.334 1.00 0.00 N ATOM 388 CA LYS A 24 15.024 22.382 15.926 1.00 0.00 C ATOM 389 C LYS A 24 13.774 22.417 15.052 1.00 0.00 C ATOM 390 O LYS A 24 13.848 22.221 13.839 1.00 0.00 O ATOM 391 CB LYS A 24 15.776 21.067 15.706 1.00 0.00 C ATOM 392 CG LYS A 24 17.192 21.077 16.257 1.00 0.00 C ATOM 393 CD LYS A 24 17.251 20.480 17.653 1.00 0.00 C ATOM 394 CE LYS A 24 18.659 20.023 18.005 1.00 0.00 C ATOM 395 NZ LYS A 24 18.973 18.691 17.418 1.00 0.00 N ATOM 0 H LYS A 24 14.502 21.661 17.824 1.00 0.00 H new ATOM 0 HA LYS A 24 15.668 23.214 15.642 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.218 20.256 16.175 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.812 20.853 14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.846 20.514 15.592 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.567 22.100 16.282 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.915 21.219 18.380 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.566 19.635 17.718 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.380 20.757 17.645 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.765 19.976 19.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.941 18.415 17.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.301 17.985 17.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.897 18.741 16.382 1.00 0.00 H new ATOM 409 N CYS A 25 12.629 22.668 15.677 1.00 0.00 N ATOM 410 CA CYS A 25 11.362 22.729 14.955 1.00 0.00 C ATOM 411 C CYS A 25 11.093 24.141 14.447 1.00 0.00 C ATOM 412 O CYS A 25 11.349 25.121 15.147 1.00 0.00 O ATOM 413 CB CYS A 25 10.215 22.271 15.858 1.00 0.00 C ATOM 414 SG CYS A 25 8.570 22.643 15.206 1.00 0.00 S ATOM 0 H CYS A 25 12.551 22.832 16.681 1.00 0.00 H new ATOM 0 HA CYS A 25 11.428 22.061 14.096 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.297 21.196 16.015 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.323 22.745 16.834 1.00 0.00 H new ATOM 0 HG CYS A 25 7.667 22.216 16.038 1.00 0.00 H new ATOM 420 N GLN A 26 10.578 24.237 13.226 1.00 0.00 N ATOM 421 CA GLN A 26 10.277 25.531 12.624 1.00 0.00 C ATOM 422 C GLN A 26 8.821 25.596 12.175 1.00 0.00 C ATOM 423 O GLN A 26 8.358 24.747 11.413 1.00 0.00 O ATOM 424 CB GLN A 26 11.203 25.791 11.435 1.00 0.00 C ATOM 425 CG GLN A 26 12.680 25.735 11.789 1.00 0.00 C ATOM 426 CD GLN A 26 13.563 26.328 10.709 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.208 27.357 10.914 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.596 25.681 9.550 1.00 0.00 N ATOM 0 H GLN A 26 10.360 23.435 12.634 1.00 0.00 H new ATOM 0 HA GLN A 26 10.440 26.302 13.377 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.997 25.056 10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.976 26.771 11.016 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.846 26.271 12.723 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.969 24.698 11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.045 24.832 9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.172 26.033 8.786 1.00 0.00 H new ATOM 437 N CYS A 27 8.105 26.609 12.651 1.00 0.00 N ATOM 438 CA CYS A 27 6.701 26.785 12.299 1.00 0.00 C ATOM 439 C CYS A 27 6.381 28.256 12.054 1.00 0.00 C ATOM 440 O CYS A 27 7.149 29.139 12.437 1.00 0.00 O ATOM 441 CB CYS A 27 5.803 26.233 13.407 1.00 0.00 C ATOM 442 SG CYS A 27 4.187 25.660 12.832 1.00 0.00 S ATOM 0 H CYS A 27 8.474 27.321 13.282 1.00 0.00 H new ATOM 0 HA CYS A 27 6.511 26.233 11.378 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.316 25.406 13.897 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.655 27.008 14.160 1.00 0.00 H new ATOM 0 HG CYS A 27 3.374 26.670 12.746 1.00 0.00 H new ATOM 448 N TRP A 28 5.246 28.511 11.414 1.00 0.00 N ATOM 449 CA TRP A 28 4.826 29.875 11.117 1.00 0.00 C ATOM 450 C TRP A 28 4.061 30.477 12.290 1.00 0.00 C ATOM 451 O TRP A 28 3.196 29.828 12.878 1.00 0.00 O ATOM 452 CB TRP A 28 3.957 29.901 9.858 1.00 0.00 C ATOM 453 CG TRP A 28 4.706 29.536 8.612 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.197 28.305 8.282 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.049 30.410 7.531 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.825 28.362 7.061 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.747 29.641 6.580 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.832 31.766 7.274 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.231 30.186 5.393 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.313 32.306 6.096 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.004 31.517 5.167 1.00 0.00 C ATOM 0 H TRP A 28 4.600 27.791 11.091 1.00 0.00 H new ATOM 0 HA TRP A 28 5.720 30.474 10.945 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.122 29.212 9.987 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.532 30.898 9.739 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.105 27.418 8.891 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.276 27.578 6.590 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.298 32.381 7.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.766 29.580 4.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.153 33.354 5.888 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.365 31.968 4.254 1.00 0.00 H new ATOM 472 N VAL A 29 4.385 31.722 12.626 1.00 0.00 N ATOM 473 CA VAL A 29 3.726 32.412 13.729 1.00 0.00 C ATOM 474 C VAL A 29 2.792 33.501 13.216 1.00 0.00 C ATOM 475 O VAL A 29 3.068 34.142 12.203 1.00 0.00 O ATOM 476 CB VAL A 29 4.753 33.041 14.690 1.00 0.00 C ATOM 477 CG1 VAL A 29 4.047 33.729 15.849 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.724 31.986 15.197 1.00 0.00 C ATOM 0 H VAL A 29 5.099 32.273 12.150 1.00 0.00 H new ATOM 0 HA VAL A 29 3.145 31.664 14.269 1.00 0.00 H new ATOM 0 HB VAL A 29 5.323 33.793 14.144 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.788 34.168 16.518 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.396 34.514 15.464 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.451 32.999 16.397 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.442 32.448 15.874 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.173 31.209 15.727 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.254 31.544 14.353 1.00 0.00 H new ATOM 488 N GLN A 30 1.686 33.706 13.924 1.00 0.00 N ATOM 489 CA GLN A 30 0.710 34.719 13.540 1.00 0.00 C ATOM 490 C GLN A 30 1.112 36.091 14.071 1.00 0.00 C ATOM 491 O GLN A 30 1.166 36.309 15.281 1.00 0.00 O ATOM 492 CB GLN A 30 -0.678 34.344 14.061 1.00 0.00 C ATOM 493 CG GLN A 30 -1.801 35.167 13.450 1.00 0.00 C ATOM 494 CD GLN A 30 -3.105 35.030 14.210 1.00 0.00 C ATOM 495 OE1 GLN A 30 -4.107 34.561 13.668 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.101 35.440 15.473 1.00 0.00 N ATOM 0 H GLN A 30 1.443 33.184 14.766 1.00 0.00 H new ATOM 0 HA GLN A 30 0.681 34.765 12.451 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.860 33.289 13.858 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.696 34.468 15.144 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.507 36.216 13.428 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.953 34.856 12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.249 35.822 15.882 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.950 35.373 16.034 1.00 0.00 H new ATOM 505 N LYS A 31 1.393 37.014 13.157 1.00 0.00 N ATOM 506 CA LYS A 31 1.789 38.366 13.532 1.00 0.00 C ATOM 507 C LYS A 31 1.214 39.391 12.560 1.00 0.00 C ATOM 508 O LYS A 31 1.235 39.189 11.346 1.00 0.00 O ATOM 509 CB LYS A 31 3.315 38.481 13.567 1.00 0.00 C ATOM 510 CG LYS A 31 3.840 39.243 14.772 1.00 0.00 C ATOM 511 CD LYS A 31 3.474 38.550 16.073 1.00 0.00 C ATOM 512 CE LYS A 31 4.461 38.886 17.181 1.00 0.00 C ATOM 513 NZ LYS A 31 4.147 40.192 17.825 1.00 0.00 N ATOM 0 H LYS A 31 1.354 36.850 12.151 1.00 0.00 H new ATOM 0 HA LYS A 31 1.392 38.571 14.526 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.747 37.480 13.564 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.655 38.977 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.924 39.336 14.701 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.432 40.254 14.770 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.470 38.849 16.376 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.453 37.471 15.918 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.446 38.097 17.933 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.471 38.916 16.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.842 40.385 18.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.186 40.949 17.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.193 40.155 18.238 1.00 0.00 H new ATOM 527 N ASN A 32 0.702 40.492 13.101 1.00 0.00 N ATOM 528 CA ASN A 32 0.122 41.549 12.281 1.00 0.00 C ATOM 529 C ASN A 32 -0.917 40.982 11.318 1.00 0.00 C ATOM 530 O ASN A 32 -0.863 41.229 10.113 1.00 0.00 O ATOM 531 CB ASN A 32 1.218 42.274 11.497 1.00 0.00 C ATOM 532 CG ASN A 32 2.460 42.518 12.331 1.00 0.00 C ATOM 533 OD1 ASN A 32 3.482 41.856 12.151 1.00 0.00 O ATOM 534 ND2 ASN A 32 2.377 43.473 13.251 1.00 0.00 N ATOM 0 H ASN A 32 0.677 40.675 14.104 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.372 42.259 12.944 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.483 41.685 10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.833 43.228 11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.181 43.682 13.843 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.509 43.997 13.365 1.00 0.00 H new ATOM 541 N ASP A 33 -1.863 40.221 11.858 1.00 0.00 N ATOM 542 CA ASP A 33 -2.916 39.620 11.048 1.00 0.00 C ATOM 543 C ASP A 33 -2.324 38.860 9.864 1.00 0.00 C ATOM 544 O ASP A 33 -2.963 38.724 8.822 1.00 0.00 O ATOM 545 CB ASP A 33 -3.881 40.696 10.549 1.00 0.00 C ATOM 546 CG ASP A 33 -5.208 40.118 10.097 1.00 0.00 C ATOM 547 OD1 ASP A 33 -5.501 38.957 10.451 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.955 40.827 9.390 1.00 0.00 O ATOM 0 H ASP A 33 -1.922 40.006 12.853 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.463 38.914 11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.056 41.421 11.344 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.422 41.236 9.721 1.00 0.00 H new ATOM 553 N GLU A 34 -1.101 38.369 10.034 1.00 0.00 N ATOM 554 CA GLU A 34 -0.423 37.625 8.979 1.00 0.00 C ATOM 555 C GLU A 34 0.341 36.437 9.555 1.00 0.00 C ATOM 556 O GLU A 34 0.331 36.207 10.764 1.00 0.00 O ATOM 557 CB GLU A 34 0.535 38.541 8.214 1.00 0.00 C ATOM 558 CG GLU A 34 -0.150 39.399 7.165 1.00 0.00 C ATOM 559 CD GLU A 34 -0.376 38.658 5.862 1.00 0.00 C ATOM 560 OE1 GLU A 34 0.622 38.267 5.221 1.00 0.00 O ATOM 561 OE2 GLU A 34 -1.551 38.468 5.483 1.00 0.00 O ATOM 0 H GLU A 34 -0.559 38.473 10.892 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.180 37.248 8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.048 39.190 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.298 37.931 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.108 39.745 7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.455 40.285 6.974 1.00 0.00 H new ATOM 568 N GLU A 35 1.003 35.686 8.680 1.00 0.00 N ATOM 569 CA GLU A 35 1.771 34.521 9.102 1.00 0.00 C ATOM 570 C GLU A 35 3.191 34.575 8.546 1.00 0.00 C ATOM 571 O GLU A 35 3.393 34.775 7.348 1.00 0.00 O ATOM 572 CB GLU A 35 1.081 33.234 8.644 1.00 0.00 C ATOM 573 CG GLU A 35 0.578 33.290 7.211 1.00 0.00 C ATOM 574 CD GLU A 35 -0.856 33.771 7.115 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.433 34.132 8.162 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.402 33.787 5.991 1.00 0.00 O ATOM 0 H GLU A 35 1.023 35.864 7.676 1.00 0.00 H new ATOM 0 HA GLU A 35 1.825 34.528 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.779 32.403 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.241 33.026 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.219 33.953 6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.656 32.299 6.764 1.00 0.00 H new ATOM 583 N ARG A 36 4.172 34.396 9.425 1.00 0.00 N ATOM 584 CA ARG A 36 5.573 34.427 9.024 1.00 0.00 C ATOM 585 C ARG A 36 6.328 33.229 9.594 1.00 0.00 C ATOM 586 O ARG A 36 6.033 32.762 10.695 1.00 0.00 O ATOM 587 CB ARG A 36 6.231 35.727 9.490 1.00 0.00 C ATOM 588 CG ARG A 36 5.620 36.974 8.872 1.00 0.00 C ATOM 589 CD ARG A 36 6.463 38.207 9.158 1.00 0.00 C ATOM 590 NE ARG A 36 7.573 38.341 8.218 1.00 0.00 N ATOM 591 CZ ARG A 36 7.433 38.787 6.975 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.237 39.141 6.524 1.00 0.00 N ATOM 593 NH2 ARG A 36 8.491 38.881 6.179 1.00 0.00 N ATOM 0 H ARG A 36 4.022 34.228 10.420 1.00 0.00 H new ATOM 0 HA ARG A 36 5.615 34.377 7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.154 35.795 10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.293 35.694 9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.525 36.839 7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.614 37.121 9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.834 39.096 9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.853 38.152 10.174 1.00 0.00 H new ATOM 0 HE ARG A 36 8.507 38.078 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.421 39.071 7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.133 39.483 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.413 38.611 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.382 39.224 5.224 1.00 0.00 H new ATOM 607 N LEU A 37 7.302 32.736 8.837 1.00 0.00 N ATOM 608 CA LEU A 37 8.099 31.592 9.265 1.00 0.00 C ATOM 609 C LEU A 37 8.930 31.939 10.497 1.00 0.00 C ATOM 610 O LEU A 37 9.669 32.923 10.502 1.00 0.00 O ATOM 611 CB LEU A 37 9.016 31.131 8.131 1.00 0.00 C ATOM 612 CG LEU A 37 9.715 29.787 8.338 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.917 28.665 7.692 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.129 29.829 7.776 1.00 0.00 C ATOM 0 H LEU A 37 7.559 33.111 7.924 1.00 0.00 H new ATOM 0 HA LEU A 37 7.417 30.782 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.428 31.075 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.778 31.894 7.974 1.00 0.00 H new ATOM 0 HG LEU A 37 9.776 29.592 9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.430 27.716 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.924 28.620 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.824 28.854 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.611 28.864 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.090 30.047 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.700 30.606 8.284 1.00 0.00 H new ATOM 626 N ALA A 38 8.806 31.121 11.537 1.00 0.00 N ATOM 627 CA ALA A 38 9.549 31.339 12.772 1.00 0.00 C ATOM 628 C ALA A 38 10.218 30.052 13.245 1.00 0.00 C ATOM 629 O ALA A 38 9.625 28.976 13.184 1.00 0.00 O ATOM 630 CB ALA A 38 8.627 31.885 13.853 1.00 0.00 C ATOM 0 H ALA A 38 8.198 30.302 11.549 1.00 0.00 H new ATOM 0 HA ALA A 38 10.331 32.072 12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.195 32.043 14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.200 32.832 13.523 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.825 31.171 14.042 1.00 0.00 H new ATOM 636 N GLU A 39 11.455 30.172 13.715 1.00 0.00 N ATOM 637 CA GLU A 39 12.204 29.017 14.195 1.00 0.00 C ATOM 638 C GLU A 39 12.164 28.938 15.719 1.00 0.00 C ATOM 639 O GLU A 39 12.503 29.900 16.410 1.00 0.00 O ATOM 640 CB GLU A 39 13.656 29.087 13.716 1.00 0.00 C ATOM 641 CG GLU A 39 14.558 28.043 14.353 1.00 0.00 C ATOM 642 CD GLU A 39 15.909 27.946 13.672 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.417 28.988 13.208 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.458 26.826 13.602 1.00 0.00 O ATOM 0 H GLU A 39 11.960 31.057 13.774 1.00 0.00 H new ATOM 0 HA GLU A 39 11.738 28.120 13.789 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.679 28.963 12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.054 30.079 13.932 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.703 28.287 15.406 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.066 27.071 14.315 1.00 0.00 H new ATOM 651 N ILE A 40 11.746 27.787 16.235 1.00 0.00 N ATOM 652 CA ILE A 40 11.662 27.582 17.676 1.00 0.00 C ATOM 653 C ILE A 40 13.039 27.665 18.324 1.00 0.00 C ATOM 654 O ILE A 40 14.031 27.199 17.762 1.00 0.00 O ATOM 655 CB ILE A 40 11.028 26.220 18.014 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.645 26.103 17.370 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.933 26.041 19.522 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.640 27.096 17.910 1.00 0.00 C ATOM 0 H ILE A 40 11.460 26.982 15.677 1.00 0.00 H new ATOM 0 HA ILE A 40 11.029 28.376 18.072 1.00 0.00 H new ATOM 0 HB ILE A 40 11.663 25.430 17.613 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.741 26.245 16.294 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.265 25.093 17.525 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.483 25.074 19.746 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.931 26.086 19.957 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.317 26.835 19.944 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.683 26.955 17.408 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.514 26.940 18.981 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.998 28.110 17.730 1.00 0.00 H new ATOM 670 N LEU A 41 13.094 28.258 19.511 1.00 0.00 N ATOM 671 CA LEU A 41 14.350 28.400 20.239 1.00 0.00 C ATOM 672 C LEU A 41 14.325 27.590 21.531 1.00 0.00 C ATOM 673 O LEU A 41 15.268 26.858 21.834 1.00 0.00 O ATOM 674 CB LEU A 41 14.617 29.873 20.553 1.00 0.00 C ATOM 675 CG LEU A 41 15.068 30.739 19.376 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.300 32.173 19.827 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.327 30.166 18.744 1.00 0.00 C ATOM 0 H LEU A 41 12.283 28.649 19.990 1.00 0.00 H new ATOM 0 HA LEU A 41 15.152 28.018 19.607 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.707 30.306 20.969 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.379 29.926 21.330 1.00 0.00 H new ATOM 0 HG LEU A 41 14.277 30.739 18.626 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.620 32.775 18.976 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.374 32.581 20.232 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.072 32.192 20.596 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.633 30.795 17.908 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.125 30.135 19.486 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.127 29.157 18.384 1.00 0.00 H new ATOM 689 N SER A 42 13.241 27.724 22.287 1.00 0.00 N ATOM 690 CA SER A 42 13.094 27.005 23.547 1.00 0.00 C ATOM 691 C SER A 42 11.623 26.742 23.854 1.00 0.00 C ATOM 692 O SER A 42 10.735 27.229 23.154 1.00 0.00 O ATOM 693 CB SER A 42 13.730 27.800 24.689 1.00 0.00 C ATOM 694 OG SER A 42 14.600 26.984 25.455 1.00 0.00 O ATOM 0 H SER A 42 12.451 28.324 22.049 1.00 0.00 H new ATOM 0 HA SER A 42 13.605 26.047 23.452 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.284 28.647 24.283 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.950 28.208 25.331 1.00 0.00 H new ATOM 0 HG SER A 42 14.995 27.515 26.177 1.00 0.00 H new ATOM 700 N ILE A 43 11.373 25.969 24.906 1.00 0.00 N ATOM 701 CA ILE A 43 10.011 25.642 25.307 1.00 0.00 C ATOM 702 C ILE A 43 9.790 25.928 26.788 1.00 0.00 C ATOM 703 O ILE A 43 10.686 25.735 27.608 1.00 0.00 O ATOM 704 CB ILE A 43 9.681 24.164 25.026 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.951 23.828 23.558 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.233 23.866 25.386 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.893 22.347 23.257 1.00 0.00 C ATOM 0 H ILE A 43 12.097 25.558 25.496 1.00 0.00 H new ATOM 0 HA ILE A 43 9.348 26.273 24.715 1.00 0.00 H new ATOM 0 HB ILE A 43 10.324 23.540 25.646 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.222 24.346 22.935 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.934 24.209 23.281 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.016 22.818 25.182 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.072 24.070 26.444 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.573 24.496 24.790 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.094 22.183 22.198 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.641 21.825 23.854 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.902 21.964 23.502 1.00 0.00 H new ATOM 719 N ASN A 44 8.589 26.388 27.124 1.00 0.00 N ATOM 720 CA ASN A 44 8.249 26.700 28.507 1.00 0.00 C ATOM 721 C ASN A 44 6.857 26.181 28.856 1.00 0.00 C ATOM 722 O ASN A 44 5.848 26.807 28.528 1.00 0.00 O ATOM 723 CB ASN A 44 8.315 28.210 28.742 1.00 0.00 C ATOM 724 CG ASN A 44 7.819 28.603 30.120 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.166 27.974 31.120 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.002 29.648 30.179 1.00 0.00 N ATOM 0 H ASN A 44 7.835 26.553 26.457 1.00 0.00 H new ATOM 0 HA ASN A 44 8.975 26.206 29.153 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.343 28.550 28.619 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.718 28.719 27.985 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.636 29.959 31.079 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.741 30.140 29.325 1.00 0.00 H new ATOM 733 N THR A 45 6.810 25.032 29.523 1.00 0.00 N ATOM 734 CA THR A 45 5.543 24.428 29.916 1.00 0.00 C ATOM 735 C THR A 45 5.224 24.720 31.377 1.00 0.00 C ATOM 736 O THR A 45 5.172 23.810 32.205 1.00 0.00 O ATOM 737 CB THR A 45 5.557 22.902 29.701 1.00 0.00 C ATOM 738 OG1 THR A 45 6.630 22.313 30.444 1.00 0.00 O ATOM 739 CG2 THR A 45 5.711 22.565 28.225 1.00 0.00 C ATOM 0 H THR A 45 7.635 24.501 29.802 1.00 0.00 H new ATOM 0 HA THR A 45 4.773 24.870 29.283 1.00 0.00 H new ATOM 0 HB THR A 45 4.607 22.499 30.053 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.509 22.501 31.398 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.718 21.482 28.098 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.878 22.990 27.666 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.647 22.980 27.853 1.00 0.00 H new ATOM 747 N ARG A 46 5.012 25.995 31.688 1.00 0.00 N ATOM 748 CA ARG A 46 4.698 26.407 33.051 1.00 0.00 C ATOM 749 C ARG A 46 3.330 27.079 33.115 1.00 0.00 C ATOM 750 O ARG A 46 2.953 27.650 34.139 1.00 0.00 O ATOM 751 CB ARG A 46 5.772 27.361 33.578 1.00 0.00 C ATOM 752 CG ARG A 46 6.974 26.652 34.180 1.00 0.00 C ATOM 753 CD ARG A 46 8.090 27.631 34.509 1.00 0.00 C ATOM 754 NE ARG A 46 7.896 28.265 35.811 1.00 0.00 N ATOM 755 CZ ARG A 46 8.496 29.392 36.176 1.00 0.00 C ATOM 756 NH1 ARG A 46 9.322 30.008 35.342 1.00 0.00 N ATOM 757 NH2 ARG A 46 8.268 29.907 37.377 1.00 0.00 N ATOM 0 H ARG A 46 5.052 26.760 31.015 1.00 0.00 H new ATOM 0 HA ARG A 46 4.675 25.515 33.677 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.109 28.001 32.763 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.329 28.012 34.332 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.672 26.125 35.085 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.342 25.900 33.482 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.046 27.107 34.500 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.139 28.398 33.736 1.00 0.00 H new ATOM 0 HE ARG A 46 7.265 27.817 36.476 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.498 29.616 34.417 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.781 30.874 35.625 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.631 29.437 38.021 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.729 30.773 37.657 1.00 0.00 H new ATOM 771 N LYS A 47 2.590 27.007 32.014 1.00 0.00 N ATOM 772 CA LYS A 47 1.263 27.607 31.943 1.00 0.00 C ATOM 773 C LYS A 47 0.297 26.705 31.182 1.00 0.00 C ATOM 774 O LYS A 47 0.685 25.652 30.676 1.00 0.00 O ATOM 775 CB LYS A 47 1.336 28.979 31.267 1.00 0.00 C ATOM 776 CG LYS A 47 0.364 29.994 31.844 1.00 0.00 C ATOM 777 CD LYS A 47 0.878 31.414 31.678 1.00 0.00 C ATOM 778 CE LYS A 47 -0.033 32.420 32.364 1.00 0.00 C ATOM 779 NZ LYS A 47 0.233 32.503 33.827 1.00 0.00 N ATOM 0 H LYS A 47 2.887 26.539 31.158 1.00 0.00 H new ATOM 0 HA LYS A 47 0.893 27.729 32.961 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.351 29.367 31.359 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.136 28.861 30.202 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.602 29.896 31.350 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.204 29.785 32.902 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.883 31.489 32.093 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.953 31.653 30.617 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.107 33.403 31.913 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.073 32.139 32.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.408 33.199 34.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.075 31.572 34.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.218 32.796 33.985 1.00 0.00 H new ATOM 793 N ALA A 48 -0.962 27.124 31.104 1.00 0.00 N ATOM 794 CA ALA A 48 -1.981 26.355 30.401 1.00 0.00 C ATOM 795 C ALA A 48 -2.913 27.270 29.614 1.00 0.00 C ATOM 796 O ALA A 48 -3.779 27.944 30.173 1.00 0.00 O ATOM 797 CB ALA A 48 -2.775 25.509 31.385 1.00 0.00 C ATOM 0 H ALA A 48 -1.300 27.992 31.519 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.480 25.695 29.693 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.533 24.940 30.847 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.103 24.822 31.900 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.259 26.158 32.115 1.00 0.00 H new ATOM 803 N PRO A 49 -2.735 27.296 28.285 1.00 0.00 N ATOM 804 CA PRO A 49 -1.708 26.499 27.608 1.00 0.00 C ATOM 805 C PRO A 49 -0.297 26.997 27.906 1.00 0.00 C ATOM 806 O PRO A 49 -0.097 28.100 28.416 1.00 0.00 O ATOM 807 CB PRO A 49 -2.037 26.682 26.124 1.00 0.00 C ATOM 808 CG PRO A 49 -2.753 27.986 26.053 1.00 0.00 C ATOM 809 CD PRO A 49 -3.521 28.107 27.340 1.00 0.00 C ATOM 0 HA PRO A 49 -1.718 25.459 27.936 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.132 26.694 25.516 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.660 25.868 25.753 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.050 28.811 25.939 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.423 28.017 25.194 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.596 29.144 27.667 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.539 27.730 27.237 1.00 0.00 H new ATOM 817 N PRO A 50 0.705 26.167 27.582 1.00 0.00 N ATOM 818 CA PRO A 50 2.114 26.502 27.805 1.00 0.00 C ATOM 819 C PRO A 50 2.601 27.610 26.877 1.00 0.00 C ATOM 820 O PRO A 50 1.835 28.142 26.073 1.00 0.00 O ATOM 821 CB PRO A 50 2.844 25.191 27.501 1.00 0.00 C ATOM 822 CG PRO A 50 1.939 24.462 26.568 1.00 0.00 C ATOM 823 CD PRO A 50 0.540 24.837 26.971 1.00 0.00 C ATOM 0 HA PRO A 50 2.288 26.879 28.813 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.817 25.376 27.046 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.022 24.617 28.410 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.136 24.744 25.534 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.090 23.385 26.639 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.130 24.870 26.112 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.119 24.120 27.676 1.00 0.00 H new ATOM 831 N LYS A 51 3.879 27.954 26.992 1.00 0.00 N ATOM 832 CA LYS A 51 4.469 28.997 26.162 1.00 0.00 C ATOM 833 C LYS A 51 5.687 28.471 25.410 1.00 0.00 C ATOM 834 O LYS A 51 6.324 27.507 25.837 1.00 0.00 O ATOM 835 CB LYS A 51 4.868 30.198 27.023 1.00 0.00 C ATOM 836 CG LYS A 51 3.685 31.013 27.517 1.00 0.00 C ATOM 837 CD LYS A 51 4.128 32.141 28.433 1.00 0.00 C ATOM 838 CE LYS A 51 3.149 33.305 28.397 1.00 0.00 C ATOM 839 NZ LYS A 51 3.582 34.421 29.284 1.00 0.00 N ATOM 0 H LYS A 51 4.527 27.525 27.653 1.00 0.00 H new ATOM 0 HA LYS A 51 3.722 29.312 25.433 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.439 29.845 27.882 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.528 30.845 26.445 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.145 31.426 26.665 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.991 30.363 28.049 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.215 31.769 29.454 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.117 32.487 28.134 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.055 33.669 27.374 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.162 32.959 28.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.889 35.195 29.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.647 34.080 30.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.513 34.768 28.976 1.00 0.00 H new ATOM 853 N PHE A 52 6.006 29.109 24.289 1.00 0.00 N ATOM 854 CA PHE A 52 7.149 28.705 23.478 1.00 0.00 C ATOM 855 C PHE A 52 7.915 29.924 22.973 1.00 0.00 C ATOM 856 O PHE A 52 7.340 30.994 22.772 1.00 0.00 O ATOM 857 CB PHE A 52 6.685 27.853 22.295 1.00 0.00 C ATOM 858 CG PHE A 52 5.887 26.647 22.700 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.545 26.765 23.023 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.479 25.396 22.760 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.807 25.658 23.396 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.746 24.285 23.133 1.00 0.00 C ATOM 863 CZ PHE A 52 4.409 24.416 23.452 1.00 0.00 C ATOM 0 H PHE A 52 5.489 29.908 23.921 1.00 0.00 H new ATOM 0 HA PHE A 52 7.817 28.113 24.104 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.083 28.470 21.628 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.557 27.528 21.728 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.070 27.734 22.983 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.525 25.288 22.513 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.761 25.764 23.643 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.219 23.315 23.175 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.835 23.549 23.745 1.00 0.00 H new ATOM 873 N TYR A 53 9.217 29.754 22.769 1.00 0.00 N ATOM 874 CA TYR A 53 10.064 30.840 22.290 1.00 0.00 C ATOM 875 C TYR A 53 10.312 30.716 20.790 1.00 0.00 C ATOM 876 O TYR A 53 10.940 29.763 20.329 1.00 0.00 O ATOM 877 CB TYR A 53 11.397 30.844 23.040 1.00 0.00 C ATOM 878 CG TYR A 53 12.035 32.211 23.132 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.303 33.315 23.552 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.372 32.399 22.801 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.883 34.566 23.637 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.960 33.647 22.885 1.00 0.00 C ATOM 883 CZ TYR A 53 13.211 34.727 23.303 1.00 0.00 C ATOM 884 OH TYR A 53 13.792 35.971 23.387 1.00 0.00 O ATOM 0 H TYR A 53 9.709 28.875 22.928 1.00 0.00 H new ATOM 0 HA TYR A 53 9.546 31.781 22.478 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.239 30.457 24.047 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.087 30.163 22.542 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.263 33.193 23.816 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.961 31.556 22.473 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.299 35.414 23.964 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.000 33.776 22.625 1.00 0.00 H new ATOM 0 HH TYR A 53 14.520 36.037 22.735 1.00 0.00 H new ATOM 894 N VAL A 54 9.814 31.688 20.032 1.00 0.00 N ATOM 895 CA VAL A 54 9.982 31.691 18.584 1.00 0.00 C ATOM 896 C VAL A 54 10.939 32.793 18.143 1.00 0.00 C ATOM 897 O VAL A 54 11.067 33.821 18.809 1.00 0.00 O ATOM 898 CB VAL A 54 8.634 31.878 17.862 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.789 30.618 17.976 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.892 33.081 18.425 1.00 0.00 C ATOM 0 H VAL A 54 9.291 32.484 20.397 1.00 0.00 H new ATOM 0 HA VAL A 54 10.400 30.721 18.313 1.00 0.00 H new ATOM 0 HB VAL A 54 8.828 32.062 16.805 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.840 30.768 17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.320 29.781 17.522 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.600 30.401 19.027 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.942 33.199 17.904 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.706 32.929 19.488 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.495 33.978 18.287 1.00 0.00 H new ATOM 910 N HIS A 55 11.609 32.573 17.017 1.00 0.00 N ATOM 911 CA HIS A 55 12.554 33.549 16.486 1.00 0.00 C ATOM 912 C HIS A 55 12.374 33.716 14.980 1.00 0.00 C ATOM 913 O HIS A 55 12.708 32.822 14.202 1.00 0.00 O ATOM 914 CB HIS A 55 13.989 33.121 16.796 1.00 0.00 C ATOM 915 CG HIS A 55 15.006 33.728 15.878 1.00 0.00 C ATOM 916 ND1 HIS A 55 15.032 35.071 15.567 1.00 0.00 N ATOM 917 CD2 HIS A 55 16.037 33.166 15.204 1.00 0.00 C ATOM 918 CE1 HIS A 55 16.035 35.309 14.740 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.660 34.169 14.505 1.00 0.00 N ATOM 0 H HIS A 55 11.515 31.727 16.454 1.00 0.00 H new ATOM 0 HA HIS A 55 12.357 34.508 16.966 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.228 33.397 17.823 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.057 32.035 16.733 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.317 32.123 15.215 1.00 0.00 H new ATOM 0 HE1 HIS A 55 16.299 36.271 14.327 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.474 34.053 13.901 1.00 0.00 H new ATOM 927 N TYR A 56 11.844 34.865 14.577 1.00 0.00 N ATOM 928 CA TYR A 56 11.616 35.148 13.165 1.00 0.00 C ATOM 929 C TYR A 56 12.910 35.015 12.367 1.00 0.00 C ATOM 930 O TYR A 56 13.810 35.847 12.478 1.00 0.00 O ATOM 931 CB TYR A 56 11.039 36.554 12.991 1.00 0.00 C ATOM 932 CG TYR A 56 9.645 36.710 13.553 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.528 36.369 12.799 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.442 37.199 14.838 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.252 36.511 13.308 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.170 37.343 15.355 1.00 0.00 C ATOM 937 CZ TYR A 56 7.078 36.997 14.587 1.00 0.00 C ATOM 938 OH TYR A 56 5.808 37.140 15.098 1.00 0.00 O ATOM 0 H TYR A 56 11.564 35.616 15.208 1.00 0.00 H new ATOM 0 HA TYR A 56 10.900 34.419 12.786 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.700 37.272 13.477 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.024 36.803 11.930 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.660 35.986 11.798 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.294 37.471 15.443 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.395 36.243 12.708 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.031 37.725 16.356 1.00 0.00 H new ATOM 0 HH TYR A 56 5.762 36.719 15.982 1.00 0.00 H new ATOM 948 N VAL A 57 12.995 33.961 11.561 1.00 0.00 N ATOM 949 CA VAL A 57 14.177 33.718 10.743 1.00 0.00 C ATOM 950 C VAL A 57 14.411 34.861 9.762 1.00 0.00 C ATOM 951 O VAL A 57 15.525 35.367 9.637 1.00 0.00 O ATOM 952 CB VAL A 57 14.053 32.399 9.957 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.373 32.051 9.286 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.599 31.273 10.874 1.00 0.00 C ATOM 0 H VAL A 57 12.259 33.262 11.457 1.00 0.00 H new ATOM 0 HA VAL A 57 15.025 33.649 11.424 1.00 0.00 H new ATOM 0 HB VAL A 57 13.301 32.529 9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.266 31.116 8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.652 32.848 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.148 31.939 10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.517 30.349 10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.326 31.141 11.675 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.628 31.522 11.303 1.00 0.00 H new ATOM 964 N ASN A 58 13.351 35.265 9.068 1.00 0.00 N ATOM 965 CA ASN A 58 13.441 36.349 8.097 1.00 0.00 C ATOM 966 C ASN A 58 13.907 37.640 8.765 1.00 0.00 C ATOM 967 O ASN A 58 14.435 38.536 8.106 1.00 0.00 O ATOM 968 CB ASN A 58 12.086 36.571 7.422 1.00 0.00 C ATOM 969 CG ASN A 58 12.224 37.097 6.007 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.676 38.145 5.666 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.960 36.370 5.174 1.00 0.00 N ATOM 0 H ASN A 58 12.420 34.858 9.160 1.00 0.00 H new ATOM 0 HA ASN A 58 14.174 36.067 7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.533 35.632 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.500 37.275 8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.089 36.674 4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.396 35.507 5.499 1.00 0.00 H new ATOM 978 N TYR A 59 13.708 37.726 10.075 1.00 0.00 N ATOM 979 CA TYR A 59 14.105 38.907 10.832 1.00 0.00 C ATOM 980 C TYR A 59 15.291 38.598 11.741 1.00 0.00 C ATOM 981 O TYR A 59 15.838 37.496 11.713 1.00 0.00 O ATOM 982 CB TYR A 59 12.931 39.424 11.665 1.00 0.00 C ATOM 983 CG TYR A 59 11.810 40.006 10.835 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.033 41.087 9.990 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.527 39.477 10.895 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.012 41.623 9.230 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.500 40.005 10.138 1.00 0.00 C ATOM 988 CZ TYR A 59 9.747 41.078 9.307 1.00 0.00 C ATOM 989 OH TYR A 59 8.726 41.609 8.552 1.00 0.00 O ATOM 0 H TYR A 59 13.274 36.992 10.635 1.00 0.00 H new ATOM 0 HA TYR A 59 14.405 39.678 10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.538 38.607 12.270 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.294 40.185 12.355 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.022 41.515 9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.329 38.638 11.545 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.203 42.464 8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.509 39.580 10.196 1.00 0.00 H new ATOM 0 HH TYR A 59 7.900 41.110 8.722 1.00 0.00 H new ATOM 999 N ASN A 60 15.683 39.580 12.547 1.00 0.00 N ATOM 1000 CA ASN A 60 16.804 39.414 13.465 1.00 0.00 C ATOM 1001 C ASN A 60 16.351 38.747 14.761 1.00 0.00 C ATOM 1002 O ASN A 60 15.158 38.545 14.984 1.00 0.00 O ATOM 1003 CB ASN A 60 17.443 40.770 13.772 1.00 0.00 C ATOM 1004 CG ASN A 60 18.467 41.175 12.729 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.670 40.999 12.922 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.992 41.723 11.616 1.00 0.00 N ATOM 0 H ASN A 60 15.241 40.499 12.583 1.00 0.00 H new ATOM 0 HA ASN A 60 17.543 38.772 12.986 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.665 41.531 13.828 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.921 40.730 14.751 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.633 42.017 10.879 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.987 41.850 11.499 1.00 0.00 H new ATOM 1013 N LYS A 61 17.313 38.409 15.612 1.00 0.00 N ATOM 1014 CA LYS A 61 17.016 37.767 16.887 1.00 0.00 C ATOM 1015 C LYS A 61 16.389 38.759 17.862 1.00 0.00 C ATOM 1016 O LYS A 61 15.903 38.374 18.927 1.00 0.00 O ATOM 1017 CB LYS A 61 18.291 37.176 17.494 1.00 0.00 C ATOM 1018 CG LYS A 61 19.004 36.199 16.576 1.00 0.00 C ATOM 1019 CD LYS A 61 20.223 35.590 17.249 1.00 0.00 C ATOM 1020 CE LYS A 61 21.454 36.466 17.070 1.00 0.00 C ATOM 1021 NZ LYS A 61 22.693 35.783 17.536 1.00 0.00 N ATOM 0 H LYS A 61 18.306 38.569 15.442 1.00 0.00 H new ATOM 0 HA LYS A 61 16.303 36.964 16.703 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.973 37.988 17.747 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.039 36.669 18.425 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.316 35.407 16.281 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.309 36.712 15.664 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.023 35.454 18.312 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.415 34.601 16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.560 36.733 16.019 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.322 37.396 17.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.509 36.412 17.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 22.603 35.551 18.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.833 34.909 16.991 1.00 0.00 H new ATOM 1035 N ARG A 62 16.401 40.035 17.492 1.00 0.00 N ATOM 1036 CA ARG A 62 15.833 41.081 18.334 1.00 0.00 C ATOM 1037 C ARG A 62 14.312 41.106 18.217 1.00 0.00 C ATOM 1038 O ARG A 62 13.640 41.889 18.891 1.00 0.00 O ATOM 1039 CB ARG A 62 16.409 42.444 17.948 1.00 0.00 C ATOM 1040 CG ARG A 62 16.240 42.782 16.475 1.00 0.00 C ATOM 1041 CD ARG A 62 16.156 44.284 16.254 1.00 0.00 C ATOM 1042 NE ARG A 62 17.431 44.947 16.511 1.00 0.00 N ATOM 1043 CZ ARG A 62 18.459 44.916 15.671 1.00 0.00 C ATOM 1044 NH1 ARG A 62 18.362 44.258 14.524 1.00 0.00 N ATOM 1045 NH2 ARG A 62 19.586 45.545 15.976 1.00 0.00 N ATOM 0 H ARG A 62 16.798 40.370 16.614 1.00 0.00 H new ATOM 0 HA ARG A 62 16.096 40.864 19.369 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.926 43.216 18.547 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.470 42.464 18.197 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.079 42.376 15.909 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.337 42.306 16.093 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.844 44.483 15.229 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.391 44.704 16.907 1.00 0.00 H new ATOM 0 HE ARG A 62 17.538 45.463 17.384 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.496 43.774 14.285 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.153 44.236 13.880 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.664 46.053 16.857 1.00 0.00 H new ATOM 0 HH22 ARG A 62 20.375 45.520 15.330 1.00 0.00 H new ATOM 1059 N LEU A 63 13.775 40.247 17.358 1.00 0.00 N ATOM 1060 CA LEU A 63 12.333 40.171 17.152 1.00 0.00 C ATOM 1061 C LEU A 63 11.744 38.961 17.870 1.00 0.00 C ATOM 1062 O LEU A 63 10.549 38.922 18.163 1.00 0.00 O ATOM 1063 CB LEU A 63 12.015 40.098 15.658 1.00 0.00 C ATOM 1064 CG LEU A 63 11.376 41.345 15.046 1.00 0.00 C ATOM 1065 CD1 LEU A 63 12.398 42.466 14.931 1.00 0.00 C ATOM 1066 CD2 LEU A 63 10.779 41.025 13.684 1.00 0.00 C ATOM 0 H LEU A 63 14.317 39.593 16.793 1.00 0.00 H new ATOM 0 HA LEU A 63 11.883 41.072 17.569 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.939 39.887 15.120 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.348 39.253 15.490 1.00 0.00 H new ATOM 0 HG LEU A 63 10.573 41.678 15.703 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.926 43.346 14.493 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.779 42.714 15.922 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.222 42.143 14.295 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.329 41.924 13.264 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.564 40.667 13.018 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.016 40.254 13.793 1.00 0.00 H new ATOM 1078 N ASP A 64 12.590 37.976 18.150 1.00 0.00 N ATOM 1079 CA ASP A 64 12.154 36.766 18.837 1.00 0.00 C ATOM 1080 C ASP A 64 11.389 37.109 20.111 1.00 0.00 C ATOM 1081 O ASP A 64 11.523 38.208 20.650 1.00 0.00 O ATOM 1082 CB ASP A 64 13.357 35.882 19.172 1.00 0.00 C ATOM 1083 CG ASP A 64 14.164 36.421 20.336 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.077 37.637 20.607 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.882 35.626 20.978 1.00 0.00 O ATOM 0 H ASP A 64 13.582 37.992 17.912 1.00 0.00 H new ATOM 0 HA ASP A 64 11.486 36.220 18.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.010 34.876 19.409 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.999 35.800 18.295 1.00 0.00 H new ATOM 1090 N GLU A 65 10.585 36.163 20.586 1.00 0.00 N ATOM 1091 CA GLU A 65 9.797 36.367 21.796 1.00 0.00 C ATOM 1092 C GLU A 65 9.037 35.099 22.171 1.00 0.00 C ATOM 1093 O GLU A 65 9.209 34.052 21.546 1.00 0.00 O ATOM 1094 CB GLU A 65 8.816 37.525 21.603 1.00 0.00 C ATOM 1095 CG GLU A 65 7.875 37.336 20.425 1.00 0.00 C ATOM 1096 CD GLU A 65 6.547 38.042 20.620 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.544 39.156 21.183 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.511 37.479 20.208 1.00 0.00 O ATOM 0 H GLU A 65 10.462 35.248 20.152 1.00 0.00 H new ATOM 0 HA GLU A 65 10.482 36.612 22.608 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.227 37.646 22.512 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.379 38.448 21.463 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.352 37.711 19.520 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.697 36.271 20.274 1.00 0.00 H new ATOM 1105 N TRP A 66 8.196 35.201 23.194 1.00 0.00 N ATOM 1106 CA TRP A 66 7.409 34.062 23.653 1.00 0.00 C ATOM 1107 C TRP A 66 5.984 34.134 23.117 1.00 0.00 C ATOM 1108 O TRP A 66 5.317 35.162 23.237 1.00 0.00 O ATOM 1109 CB TRP A 66 7.391 34.011 25.182 1.00 0.00 C ATOM 1110 CG TRP A 66 8.759 33.947 25.790 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.605 34.994 26.018 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.439 32.773 26.247 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.770 34.542 26.588 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.693 33.183 26.740 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.111 31.415 26.289 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.617 32.284 27.267 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.028 30.524 26.812 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.269 30.961 27.296 1.00 0.00 C ATOM 0 H TRP A 66 8.042 36.060 23.721 1.00 0.00 H new ATOM 0 HA TRP A 66 7.875 33.153 23.272 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.873 34.892 25.562 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.818 33.141 25.503 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.390 36.026 25.784 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.564 35.124 26.855 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.157 31.068 25.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.574 32.619 27.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.785 29.472 26.849 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.964 30.239 27.700 1.00 0.00 H new ATOM 1129 N ILE A 67 5.522 33.037 22.527 1.00 0.00 N ATOM 1130 CA ILE A 67 4.174 32.976 21.974 1.00 0.00 C ATOM 1131 C ILE A 67 3.417 31.763 22.503 1.00 0.00 C ATOM 1132 O ILE A 67 4.021 30.783 22.943 1.00 0.00 O ATOM 1133 CB ILE A 67 4.199 32.922 20.435 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.004 31.712 19.958 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.781 34.209 19.870 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.688 31.297 18.539 1.00 0.00 C ATOM 0 H ILE A 67 6.061 32.178 22.419 1.00 0.00 H new ATOM 0 HA ILE A 67 3.662 33.885 22.289 1.00 0.00 H new ATOM 0 HB ILE A 67 3.176 32.819 20.073 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.067 31.941 20.033 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.811 30.872 20.625 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.792 34.156 18.781 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.170 35.054 20.186 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.799 34.340 20.237 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.296 30.433 18.269 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.632 31.036 18.463 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.908 32.122 17.861 1.00 0.00 H new ATOM 1148 N THR A 68 2.091 31.832 22.454 1.00 0.00 N ATOM 1149 CA THR A 68 1.250 30.739 22.926 1.00 0.00 C ATOM 1150 C THR A 68 0.697 29.927 21.761 1.00 0.00 C ATOM 1151 O THR A 68 0.901 30.274 20.596 1.00 0.00 O ATOM 1152 CB THR A 68 0.076 31.260 23.776 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.321 32.558 23.320 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.461 31.330 25.246 1.00 0.00 C ATOM 0 H THR A 68 1.576 32.634 22.092 1.00 0.00 H new ATOM 0 HA THR A 68 1.881 30.100 23.543 1.00 0.00 H new ATOM 0 HB THR A 68 -0.758 30.566 23.668 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.069 32.881 23.864 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.384 31.701 25.826 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.735 30.335 25.598 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.309 32.004 25.368 1.00 0.00 H new ATOM 1162 N THR A 69 -0.004 28.843 22.080 1.00 0.00 N ATOM 1163 CA THR A 69 -0.586 27.981 21.059 1.00 0.00 C ATOM 1164 C THR A 69 -1.487 28.773 20.119 1.00 0.00 C ATOM 1165 O THR A 69 -1.469 28.567 18.906 1.00 0.00 O ATOM 1166 CB THR A 69 -1.400 26.835 21.689 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.577 27.357 22.315 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.567 26.079 22.713 1.00 0.00 C ATOM 0 H THR A 69 -0.182 28.541 23.038 1.00 0.00 H new ATOM 0 HA THR A 69 0.243 27.558 20.492 1.00 0.00 H new ATOM 0 HB THR A 69 -1.687 26.144 20.896 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.090 26.622 22.712 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.163 25.275 23.144 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.313 25.658 22.227 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.254 26.762 23.503 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.275 29.680 20.687 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.183 30.505 19.899 1.00 0.00 C ATOM 1178 C ASP A 70 -2.406 31.457 18.994 1.00 0.00 C ATOM 1179 O ASP A 70 -2.970 32.057 18.079 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.112 31.300 20.818 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.181 30.432 21.452 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.415 29.314 20.946 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.784 30.870 22.454 1.00 0.00 O ATOM 0 H ASP A 70 -2.303 29.862 21.690 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.782 29.845 19.272 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.523 31.776 21.602 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.587 32.098 20.247 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.110 31.590 19.257 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.257 32.470 18.469 1.00 0.00 C ATOM 1190 C ARG A 71 0.534 31.676 17.434 1.00 0.00 C ATOM 1191 O ARG A 71 1.302 32.243 16.656 1.00 0.00 O ATOM 1192 CB ARG A 71 0.702 33.238 19.381 1.00 0.00 C ATOM 1193 CG ARG A 71 0.013 34.269 20.258 1.00 0.00 C ATOM 1194 CD ARG A 71 0.942 35.426 20.593 1.00 0.00 C ATOM 1195 NE ARG A 71 0.332 36.365 21.530 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.580 37.266 21.180 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.985 37.349 19.920 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -1.089 38.085 22.091 1.00 0.00 N ATOM 0 H ARG A 71 -0.628 31.099 20.010 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.896 33.181 17.945 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.232 32.529 20.017 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.451 33.738 18.767 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.873 34.648 19.748 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.327 33.796 21.179 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.866 35.037 21.020 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.211 35.952 19.677 1.00 0.00 H new ATOM 0 HE ARG A 71 0.622 36.327 22.507 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.596 36.720 19.217 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.685 38.041 19.654 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.780 38.024 23.061 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.789 38.776 21.821 1.00 0.00 H new ATOM 1212 N ILE A 72 0.342 30.361 17.431 1.00 0.00 N ATOM 1213 CA ILE A 72 1.037 29.490 16.492 1.00 0.00 C ATOM 1214 C ILE A 72 0.139 29.122 15.315 1.00 0.00 C ATOM 1215 O ILE A 72 -1.068 28.949 15.473 1.00 0.00 O ATOM 1216 CB ILE A 72 1.523 28.198 17.175 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.466 28.532 18.334 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.214 27.293 16.167 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.565 27.433 19.368 1.00 0.00 C ATOM 0 H ILE A 72 -0.289 29.876 18.069 1.00 0.00 H new ATOM 0 HA ILE A 72 1.901 30.046 16.128 1.00 0.00 H new ATOM 0 HB ILE A 72 0.658 27.669 17.575 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.460 28.736 17.936 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.123 29.446 18.819 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.552 26.384 16.665 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.515 27.033 15.372 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.072 27.812 15.740 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.250 27.738 20.159 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.580 27.244 19.794 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.937 26.523 18.897 1.00 0.00 H new ATOM 1231 N ASN A 73 0.739 29.003 14.135 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.006 28.654 12.931 1.00 0.00 C ATOM 1233 C ASN A 73 0.144 27.171 12.609 1.00 0.00 C ATOM 1234 O ASN A 73 1.192 26.730 12.134 1.00 0.00 O ATOM 1235 CB ASN A 73 0.474 29.496 11.747 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.406 29.327 10.523 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.352 28.541 10.529 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.095 30.068 9.465 1.00 0.00 N ATOM 0 H ASN A 73 1.738 29.143 13.987 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.060 28.863 13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.492 30.547 12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.497 29.216 11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.650 29.998 8.612 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.699 30.707 9.505 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.909 26.404 12.869 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.895 24.969 12.607 1.00 0.00 C ATOM 1247 C LEU A 74 -1.486 24.661 11.235 1.00 0.00 C ATOM 1248 O LEU A 74 -1.912 23.537 10.970 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.677 24.225 13.691 1.00 0.00 C ATOM 1250 CG LEU A 74 -1.004 24.134 15.061 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.996 23.661 16.112 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.199 23.204 15.003 1.00 0.00 C ATOM 0 H LEU A 74 -1.784 26.752 13.261 1.00 0.00 H new ATOM 0 HA LEU A 74 0.141 24.632 12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.643 24.715 13.815 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.875 23.213 13.338 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.656 25.128 15.341 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.500 23.602 17.081 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.826 24.365 16.172 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.375 22.676 15.838 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.666 23.151 15.987 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.125 22.208 14.701 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.919 23.586 14.280 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.507 25.666 10.366 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.042 25.502 9.020 1.00 0.00 C ATOM 1266 C ASP A 75 -0.918 25.302 8.008 1.00 0.00 C ATOM 1267 O ASP A 75 -1.138 24.786 6.912 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.885 26.717 8.631 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.767 26.450 7.427 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.456 25.408 7.416 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -3.769 27.282 6.497 1.00 0.00 O ATOM 0 H ASP A 75 -1.159 26.603 10.570 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.674 24.614 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.508 27.009 9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.226 27.558 8.415 1.00 0.00 H new ATOM 1276 N LYS A 76 0.288 25.716 8.383 1.00 0.00 N ATOM 1277 CA LYS A 76 1.448 25.584 7.509 1.00 0.00 C ATOM 1278 C LYS A 76 2.286 24.370 7.898 1.00 0.00 C ATOM 1279 O LYS A 76 2.286 23.950 9.055 1.00 0.00 O ATOM 1280 CB LYS A 76 2.306 26.850 7.571 1.00 0.00 C ATOM 1281 CG LYS A 76 2.339 27.626 6.266 1.00 0.00 C ATOM 1282 CD LYS A 76 1.880 29.061 6.459 1.00 0.00 C ATOM 1283 CE LYS A 76 1.870 29.825 5.144 1.00 0.00 C ATOM 1284 NZ LYS A 76 2.342 31.228 5.314 1.00 0.00 N ATOM 0 H LYS A 76 0.487 26.146 9.286 1.00 0.00 H new ATOM 0 HA LYS A 76 1.090 25.445 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.926 27.498 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.324 26.576 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.352 27.618 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.700 27.134 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.880 29.069 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.539 29.563 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.506 29.313 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.860 29.829 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.572 31.885 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.632 31.380 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.152 31.400 4.685 1.00 0.00 H new ATOM 1298 N GLU A 77 2.999 23.812 6.925 1.00 0.00 N ATOM 1299 CA GLU A 77 3.842 22.647 7.167 1.00 0.00 C ATOM 1300 C GLU A 77 4.947 22.974 8.168 1.00 0.00 C ATOM 1301 O GLU A 77 5.489 24.079 8.172 1.00 0.00 O ATOM 1302 CB GLU A 77 4.456 22.152 5.856 1.00 0.00 C ATOM 1303 CG GLU A 77 3.447 22.005 4.729 1.00 0.00 C ATOM 1304 CD GLU A 77 4.046 21.368 3.490 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.827 20.405 3.635 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.732 21.834 2.374 1.00 0.00 O ATOM 0 H GLU A 77 3.010 24.148 5.962 1.00 0.00 H new ATOM 0 HA GLU A 77 3.217 21.859 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.237 22.846 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.936 21.189 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.608 21.401 5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.049 22.987 4.472 1.00 0.00 H new ATOM 1313 N VAL A 78 5.276 22.004 9.015 1.00 0.00 N ATOM 1314 CA VAL A 78 6.316 22.186 10.020 1.00 0.00 C ATOM 1315 C VAL A 78 7.631 21.559 9.571 1.00 0.00 C ATOM 1316 O VAL A 78 7.646 20.478 8.979 1.00 0.00 O ATOM 1317 CB VAL A 78 5.904 21.575 11.372 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.057 21.641 12.362 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.675 22.282 11.924 1.00 0.00 C ATOM 0 H VAL A 78 4.837 21.083 9.025 1.00 0.00 H new ATOM 0 HA VAL A 78 6.452 23.261 10.142 1.00 0.00 H new ATOM 0 HB VAL A 78 5.652 20.526 11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.747 21.205 13.311 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.907 21.085 11.968 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.344 22.681 12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.398 21.837 12.880 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.897 23.340 12.067 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.848 22.176 11.221 1.00 0.00 H new ATOM 1329 N LEU A 79 8.734 22.243 9.855 1.00 0.00 N ATOM 1330 CA LEU A 79 10.056 21.752 9.480 1.00 0.00 C ATOM 1331 C LEU A 79 10.756 21.110 10.673 1.00 0.00 C ATOM 1332 O LEU A 79 10.835 21.700 11.751 1.00 0.00 O ATOM 1333 CB LEU A 79 10.908 22.897 8.929 1.00 0.00 C ATOM 1334 CG LEU A 79 11.249 22.822 7.440 1.00 0.00 C ATOM 1335 CD1 LEU A 79 12.146 21.627 7.157 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.979 22.748 6.605 1.00 0.00 C ATOM 0 H LEU A 79 8.739 23.139 10.343 1.00 0.00 H new ATOM 0 HA LEU A 79 9.931 20.995 8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.385 23.835 9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.840 22.935 9.493 1.00 0.00 H new ATOM 0 HG LEU A 79 11.789 23.728 7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.378 21.590 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.070 21.723 7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.634 20.710 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.241 22.695 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.412 21.860 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.373 23.636 6.785 1.00 0.00 H new ATOM 1348 N TYR A 80 11.266 19.900 10.472 1.00 0.00 N ATOM 1349 CA TYR A 80 11.960 19.178 11.531 1.00 0.00 C ATOM 1350 C TYR A 80 13.367 18.785 11.091 1.00 0.00 C ATOM 1351 O TYR A 80 13.666 18.679 9.901 1.00 0.00 O ATOM 1352 CB TYR A 80 11.171 17.929 11.928 1.00 0.00 C ATOM 1353 CG TYR A 80 9.933 18.229 12.743 1.00 0.00 C ATOM 1354 CD1 TYR A 80 10.026 18.542 14.093 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.671 18.200 12.162 1.00 0.00 C ATOM 1356 CE1 TYR A 80 8.897 18.815 14.842 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.538 18.474 12.903 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.656 18.780 14.242 1.00 0.00 C ATOM 1359 OH TYR A 80 6.530 19.054 14.984 1.00 0.00 O ATOM 0 H TYR A 80 11.212 19.399 9.585 1.00 0.00 H new ATOM 0 HA TYR A 80 12.040 19.839 12.394 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.880 17.391 11.026 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.820 17.266 12.499 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.997 18.573 14.565 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.574 17.959 11.114 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.986 19.054 15.891 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.565 18.449 12.436 1.00 0.00 H new ATOM 0 HH TYR A 80 6.786 19.237 15.912 1.00 0.00 H new ATOM 1369 N PRO A 81 14.253 18.562 12.073 1.00 0.00 N ATOM 1370 CA PRO A 81 15.643 18.176 11.813 1.00 0.00 C ATOM 1371 C PRO A 81 15.757 16.761 11.256 1.00 0.00 C ATOM 1372 O PRO A 81 14.802 15.986 11.302 1.00 0.00 O ATOM 1373 CB PRO A 81 16.299 18.263 13.193 1.00 0.00 C ATOM 1374 CG PRO A 81 15.181 18.063 14.157 1.00 0.00 C ATOM 1375 CD PRO A 81 13.966 18.670 13.513 1.00 0.00 C ATOM 0 HA PRO A 81 16.110 18.814 11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.068 17.500 13.315 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.782 19.229 13.342 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.026 17.003 14.361 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.398 18.543 15.111 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.057 18.132 13.783 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.825 19.707 13.818 1.00 0.00 H new