USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-4.9!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -118:sc= -1.12 (180deg=-5.63!) USER MOD Single : A 43 MET CE :methyl -105:sc= -2.15 (180deg=-5.33!) USER MOD Single : A 49 ASN : amide:sc=-0.00157 X(o=-0.0016,f=-0.0016) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.67! C(o=-1.7!,f=-7.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.496 -17.106 15.758 1.00 0.00 N ATOM 177 CA VAL A 15 -0.359 -15.672 15.979 1.00 0.00 C ATOM 178 C VAL A 15 0.209 -14.978 14.745 1.00 0.00 C ATOM 179 O VAL A 15 1.154 -15.452 14.116 1.00 0.00 O ATOM 180 CB VAL A 15 0.550 -15.375 17.186 1.00 0.00 C ATOM 181 CG1 VAL A 15 1.898 -16.059 17.021 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.722 -13.874 17.366 1.00 0.00 C ATOM 0 HA VAL A 15 -1.358 -15.286 16.182 1.00 0.00 H new ATOM 0 HB VAL A 15 0.076 -15.773 18.083 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.526 -15.837 17.884 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.752 -17.137 16.945 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.383 -15.694 16.116 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.367 -13.682 18.223 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.174 -13.449 16.470 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.252 -13.414 17.534 1.00 0.00 H new ATOM 192 N PRO A 16 -0.379 -13.826 14.392 1.00 0.00 N ATOM 193 CA PRO A 16 0.053 -13.040 13.232 1.00 0.00 C ATOM 194 C PRO A 16 1.416 -12.391 13.446 1.00 0.00 C ATOM 195 O PRO A 16 2.072 -12.624 14.462 1.00 0.00 O ATOM 196 CB PRO A 16 -1.034 -11.970 13.103 1.00 0.00 C ATOM 197 CG PRO A 16 -1.596 -11.833 14.477 1.00 0.00 C ATOM 198 CD PRO A 16 -1.511 -13.201 15.097 1.00 0.00 C ATOM 0 HA PRO A 16 0.169 -13.658 12.342 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.620 -11.026 12.749 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.802 -12.269 12.389 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.031 -11.105 15.059 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.628 -11.483 14.444 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.334 -13.145 16.171 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.433 -13.764 14.955 1.00 0.00 H new ATOM 206 N VAL A 17 1.837 -11.578 12.483 1.00 0.00 N ATOM 207 CA VAL A 17 3.121 -10.894 12.567 1.00 0.00 C ATOM 208 C VAL A 17 3.061 -9.525 11.898 1.00 0.00 C ATOM 209 O VAL A 17 2.244 -9.293 11.006 1.00 0.00 O ATOM 210 CB VAL A 17 4.242 -11.723 11.913 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.875 -12.661 12.930 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.704 -12.501 10.722 1.00 0.00 C ATOM 0 H VAL A 17 1.307 -11.377 11.635 1.00 0.00 H new ATOM 0 HA VAL A 17 3.343 -10.768 13.627 1.00 0.00 H new ATOM 0 HB VAL A 17 5.012 -11.040 11.554 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.665 -13.239 12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.298 -12.078 13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.116 -13.339 13.321 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.510 -13.081 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.914 -13.174 11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.302 -11.806 9.985 1.00 0.00 H new ATOM 222 N THR A 18 3.932 -8.620 12.333 1.00 0.00 N ATOM 223 CA THR A 18 3.977 -7.273 11.778 1.00 0.00 C ATOM 224 C THR A 18 4.966 -7.190 10.621 1.00 0.00 C ATOM 225 O THR A 18 6.145 -7.511 10.775 1.00 0.00 O ATOM 226 CB THR A 18 4.368 -6.237 12.849 1.00 0.00 C ATOM 227 OG1 THR A 18 3.517 -6.370 13.993 1.00 0.00 O ATOM 228 CG2 THR A 18 4.265 -4.824 12.295 1.00 0.00 C ATOM 0 H THR A 18 4.616 -8.796 13.069 1.00 0.00 H new ATOM 0 HA THR A 18 2.975 -7.046 11.414 1.00 0.00 H new ATOM 0 HB THR A 18 5.401 -6.421 13.143 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.773 -5.709 14.670 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.546 -4.109 13.068 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.935 -4.718 11.442 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.240 -4.632 11.977 1.00 0.00 H new ATOM 236 N ILE A 19 4.480 -6.756 9.463 1.00 0.00 N ATOM 237 CA ILE A 19 5.322 -6.629 8.281 1.00 0.00 C ATOM 238 C ILE A 19 5.515 -5.165 7.898 1.00 0.00 C ATOM 239 O ILE A 19 4.843 -4.281 8.429 1.00 0.00 O ATOM 240 CB ILE A 19 4.725 -7.387 7.080 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.386 -6.769 6.674 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.555 -8.861 7.416 1.00 0.00 C ATOM 243 CD1 ILE A 19 2.945 -7.148 5.277 1.00 0.00 C ATOM 0 H ILE A 19 3.507 -6.486 9.319 1.00 0.00 H new ATOM 0 HA ILE A 19 6.288 -7.067 8.533 1.00 0.00 H new ATOM 0 HB ILE A 19 5.412 -7.304 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.621 -7.080 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.461 -5.684 6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.132 -9.383 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.525 -9.292 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.885 -8.965 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.988 -6.674 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.691 -6.812 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.838 -8.231 5.210 1.00 0.00 H new ATOM 255 N GLU A 20 6.437 -4.918 6.973 1.00 0.00 N ATOM 256 CA GLU A 20 6.717 -3.560 6.520 1.00 0.00 C ATOM 257 C GLU A 20 6.433 -3.416 5.027 1.00 0.00 C ATOM 258 O GLU A 20 6.945 -4.180 4.210 1.00 0.00 O ATOM 259 CB GLU A 20 8.174 -3.192 6.810 1.00 0.00 C ATOM 260 CG GLU A 20 8.393 -2.630 8.205 1.00 0.00 C ATOM 261 CD GLU A 20 9.858 -2.383 8.511 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.501 -1.622 7.758 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.360 -2.949 9.503 1.00 0.00 O ATOM 0 H GLU A 20 7.002 -5.639 6.523 1.00 0.00 H new ATOM 0 HA GLU A 20 6.062 -2.880 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.796 -4.078 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.508 -2.459 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.842 -1.695 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.984 -3.323 8.940 1.00 0.00 H new ATOM 270 N VAL A 21 5.611 -2.431 4.679 1.00 0.00 N ATOM 271 CA VAL A 21 5.258 -2.184 3.286 1.00 0.00 C ATOM 272 C VAL A 21 5.796 -0.839 2.813 1.00 0.00 C ATOM 273 O VAL A 21 5.720 0.157 3.530 1.00 0.00 O ATOM 274 CB VAL A 21 3.733 -2.217 3.080 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.394 -2.251 1.597 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.123 -3.409 3.802 1.00 0.00 C ATOM 0 H VAL A 21 5.177 -1.790 5.343 1.00 0.00 H new ATOM 0 HA VAL A 21 5.713 -2.980 2.698 1.00 0.00 H new ATOM 0 HB VAL A 21 3.308 -1.308 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.311 -2.274 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.797 -1.362 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.831 -3.141 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.044 -3.416 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.553 -4.331 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.334 -3.335 4.869 1.00 0.00 H new ATOM 286 N GLU A 22 6.338 -0.819 1.599 1.00 0.00 N ATOM 287 CA GLU A 22 6.890 0.405 1.030 1.00 0.00 C ATOM 288 C GLU A 22 5.785 1.272 0.431 1.00 0.00 C ATOM 289 O GLU A 22 5.224 0.948 -0.615 1.00 0.00 O ATOM 290 CB GLU A 22 7.929 0.073 -0.043 1.00 0.00 C ATOM 291 CG GLU A 22 9.336 -0.094 0.504 1.00 0.00 C ATOM 292 CD GLU A 22 10.253 -0.827 -0.456 1.00 0.00 C ATOM 293 OE1 GLU A 22 9.902 -1.953 -0.867 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.320 -0.276 -0.796 1.00 0.00 O ATOM 0 H GLU A 22 6.407 -1.635 0.991 1.00 0.00 H new ATOM 0 HA GLU A 22 7.373 0.962 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.634 -0.845 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.931 0.865 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.756 0.888 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.293 -0.639 1.447 1.00 0.00 H new ATOM 301 N VAL A 23 5.478 2.376 1.106 1.00 0.00 N ATOM 302 CA VAL A 23 4.441 3.291 0.641 1.00 0.00 C ATOM 303 C VAL A 23 4.702 4.710 1.132 1.00 0.00 C ATOM 304 O VAL A 23 4.895 4.957 2.322 1.00 0.00 O ATOM 305 CB VAL A 23 3.046 2.844 1.115 1.00 0.00 C ATOM 306 CG1 VAL A 23 1.983 3.829 0.651 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.737 1.440 0.616 1.00 0.00 C ATOM 0 H VAL A 23 5.932 2.658 1.975 1.00 0.00 H new ATOM 0 HA VAL A 23 4.469 3.275 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 23 3.041 2.827 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.004 3.496 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.197 4.815 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.986 3.882 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.747 1.141 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.761 1.428 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.481 0.744 1.003 1.00 0.00 H new ATOM 317 N PRO A 24 4.707 5.668 0.193 1.00 0.00 N ATOM 318 CA PRO A 24 4.941 7.082 0.506 1.00 0.00 C ATOM 319 C PRO A 24 3.783 7.706 1.274 1.00 0.00 C ATOM 320 O PRO A 24 2.616 7.471 0.957 1.00 0.00 O ATOM 321 CB PRO A 24 5.080 7.731 -0.874 1.00 0.00 C ATOM 322 CG PRO A 24 4.319 6.838 -1.791 1.00 0.00 C ATOM 323 CD PRO A 24 4.484 5.447 -1.246 1.00 0.00 C ATOM 0 HA PRO A 24 5.812 7.219 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.673 8.742 -0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.126 7.807 -1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.267 7.121 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.702 6.906 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.599 4.837 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.326 4.932 -1.708 1.00 0.00 H new ATOM 331 N PHE A 25 4.110 8.500 2.287 1.00 0.00 N ATOM 332 CA PHE A 25 3.097 9.158 3.103 1.00 0.00 C ATOM 333 C PHE A 25 2.194 10.039 2.243 1.00 0.00 C ATOM 334 O PHE A 25 1.092 10.404 2.653 1.00 0.00 O ATOM 335 CB PHE A 25 3.757 10.000 4.197 1.00 0.00 C ATOM 336 CG PHE A 25 2.787 10.531 5.213 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.967 11.606 4.910 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.696 9.956 6.470 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.072 12.097 5.844 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.803 10.442 7.406 1.00 0.00 C ATOM 341 CZ PHE A 25 0.991 11.514 7.093 1.00 0.00 C ATOM 0 H PHE A 25 5.071 8.704 2.563 1.00 0.00 H new ATOM 0 HA PHE A 25 2.486 8.385 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.509 9.396 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.280 10.837 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.027 12.066 3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.330 9.119 6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.438 12.935 5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.740 9.984 8.382 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.294 11.896 7.824 1.00 0.00 H new ATOM 351 N ASP A 26 2.670 10.376 1.050 1.00 0.00 N ATOM 352 CA ASP A 26 1.908 11.213 0.131 1.00 0.00 C ATOM 353 C ASP A 26 0.670 10.477 -0.375 1.00 0.00 C ATOM 354 O ASP A 26 -0.242 11.086 -0.936 1.00 0.00 O ATOM 355 CB ASP A 26 2.781 11.638 -1.050 1.00 0.00 C ATOM 356 CG ASP A 26 3.837 12.651 -0.653 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.463 13.767 -0.236 1.00 0.00 O ATOM 358 OD2 ASP A 26 5.039 12.327 -0.758 1.00 0.00 O ATOM 0 H ASP A 26 3.581 10.082 0.696 1.00 0.00 H new ATOM 0 HA ASP A 26 1.585 12.102 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.266 10.759 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.150 12.062 -1.831 1.00 0.00 H new ATOM 363 N LEU A 27 0.646 9.164 -0.176 1.00 0.00 N ATOM 364 CA LEU A 27 -0.479 8.344 -0.613 1.00 0.00 C ATOM 365 C LEU A 27 -1.378 7.983 0.565 1.00 0.00 C ATOM 366 O LEU A 27 -2.590 7.827 0.408 1.00 0.00 O ATOM 367 CB LEU A 27 0.027 7.070 -1.292 1.00 0.00 C ATOM 368 CG LEU A 27 0.709 7.258 -2.648 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.428 5.984 -3.065 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.306 7.669 -3.703 1.00 0.00 C ATOM 0 H LEU A 27 1.393 8.644 0.285 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.063 8.922 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.730 6.578 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.817 6.392 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 27 1.448 8.054 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.907 6.137 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.184 5.733 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.709 5.169 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.197 7.798 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.069 6.896 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.775 8.608 -3.410 1.00 0.00 H new ATOM 382 N HIS A 28 -0.779 7.854 1.744 1.00 0.00 N ATOM 383 CA HIS A 28 -1.527 7.514 2.949 1.00 0.00 C ATOM 384 C HIS A 28 -2.858 8.258 2.990 1.00 0.00 C ATOM 385 O HIS A 28 -3.922 7.643 3.076 1.00 0.00 O ATOM 386 CB HIS A 28 -0.706 7.846 4.195 1.00 0.00 C ATOM 387 CG HIS A 28 0.510 6.986 4.357 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.425 7.160 5.374 1.00 0.00 N ATOM 389 CD2 HIS A 28 0.959 5.941 3.624 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.385 6.260 5.258 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.126 5.507 4.205 1.00 0.00 N ATOM 0 H HIS A 28 0.222 7.980 1.891 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.729 6.443 2.931 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.399 8.891 4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.338 7.737 5.076 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.369 7.872 6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.488 5.525 2.746 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.237 6.158 5.913 1.00 0.00 H new ATOM 399 N ARG A 29 -2.791 9.584 2.928 1.00 0.00 N ATOM 400 CA ARG A 29 -3.992 10.412 2.960 1.00 0.00 C ATOM 401 C ARG A 29 -5.072 9.838 2.049 1.00 0.00 C ATOM 402 O ARG A 29 -6.260 9.885 2.370 1.00 0.00 O ATOM 403 CB ARG A 29 -3.661 11.844 2.536 1.00 0.00 C ATOM 404 CG ARG A 29 -3.188 11.960 1.096 1.00 0.00 C ATOM 405 CD ARG A 29 -2.313 13.187 0.893 1.00 0.00 C ATOM 406 NE ARG A 29 -3.103 14.380 0.600 1.00 0.00 N ATOM 407 CZ ARG A 29 -2.569 15.571 0.355 1.00 0.00 C ATOM 408 NH1 ARG A 29 -1.253 15.729 0.369 1.00 0.00 N ATOM 409 NH2 ARG A 29 -3.354 16.610 0.096 1.00 0.00 N ATOM 0 H ARG A 29 -1.919 10.108 2.855 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.370 10.421 3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.545 12.467 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.889 12.240 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.630 11.065 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.051 12.013 0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.716 13.359 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.616 13.004 0.075 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.119 14.294 0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.646 14.934 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.847 16.646 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.367 16.493 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.944 17.525 -0.092 1.00 0.00 H new ATOM 423 N TYR A 30 -4.653 9.297 0.911 1.00 0.00 N ATOM 424 CA TYR A 30 -5.585 8.716 -0.049 1.00 0.00 C ATOM 425 C TYR A 30 -5.939 7.283 0.334 1.00 0.00 C ATOM 426 O TYR A 30 -7.063 6.829 0.117 1.00 0.00 O ATOM 427 CB TYR A 30 -4.987 8.747 -1.456 1.00 0.00 C ATOM 428 CG TYR A 30 -4.638 10.138 -1.937 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.583 11.156 -1.920 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.364 10.434 -2.406 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.270 12.427 -2.359 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.042 11.703 -2.846 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.998 12.696 -2.820 1.00 0.00 C ATOM 434 OH TYR A 30 -3.682 13.962 -3.256 1.00 0.00 O ATOM 0 H TYR A 30 -3.674 9.248 0.630 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.498 9.312 -0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.089 8.130 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.695 8.298 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.579 10.950 -1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.613 9.658 -2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.017 13.207 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.047 11.916 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.746 13.984 -3.547 1.00 0.00 H new ATOM 444 N VAL A 31 -4.972 6.574 0.906 1.00 0.00 N ATOM 445 CA VAL A 31 -5.179 5.192 1.322 1.00 0.00 C ATOM 446 C VAL A 31 -6.176 5.109 2.474 1.00 0.00 C ATOM 447 O VAL A 31 -7.199 4.431 2.374 1.00 0.00 O ATOM 448 CB VAL A 31 -3.857 4.531 1.754 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.112 3.138 2.310 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.883 4.477 0.587 1.00 0.00 C ATOM 0 H VAL A 31 -4.036 6.934 1.092 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.578 4.658 0.459 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.410 5.135 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.166 2.687 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.772 3.207 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.581 2.521 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.954 4.007 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.320 3.896 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.676 5.489 0.239 1.00 0.00 H new ATOM 460 N ILE A 32 -5.870 5.802 3.565 1.00 0.00 N ATOM 461 CA ILE A 32 -6.740 5.808 4.735 1.00 0.00 C ATOM 462 C ILE A 32 -8.162 6.213 4.360 1.00 0.00 C ATOM 463 O ILE A 32 -9.104 5.440 4.533 1.00 0.00 O ATOM 464 CB ILE A 32 -6.215 6.766 5.821 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.795 6.374 6.234 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.143 6.758 7.027 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.121 7.397 7.122 1.00 0.00 C ATOM 0 H ILE A 32 -5.026 6.367 3.664 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.746 4.792 5.130 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.189 7.776 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.828 5.417 6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.192 6.228 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.759 7.440 7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.139 7.079 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.197 5.750 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.118 7.054 7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.056 8.349 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.702 7.526 8.035 1.00 0.00 H new ATOM 550 N ILE A 39 -9.384 1.710 3.507 1.00 0.00 N ATOM 551 CA ILE A 39 -8.506 0.673 4.032 1.00 0.00 C ATOM 552 C ILE A 39 -9.308 -0.507 4.571 1.00 0.00 C ATOM 553 O ILE A 39 -9.001 -1.663 4.282 1.00 0.00 O ATOM 554 CB ILE A 39 -7.598 1.216 5.151 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.535 2.149 4.568 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.945 0.070 5.908 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.504 2.599 5.580 1.00 0.00 C ATOM 0 HA ILE A 39 -7.884 0.338 3.202 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.211 1.785 5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.029 1.641 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.025 3.026 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.307 0.471 6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.716 -0.559 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.343 -0.524 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.783 3.258 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.999 3.135 6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.987 1.729 5.984 1.00 0.00 H new ATOM 569 N ARG A 40 -10.339 -0.205 5.355 1.00 0.00 N ATOM 570 CA ARG A 40 -11.187 -1.240 5.933 1.00 0.00 C ATOM 571 C ARG A 40 -11.512 -2.317 4.903 1.00 0.00 C ATOM 572 O ARG A 40 -11.475 -3.510 5.202 1.00 0.00 O ATOM 573 CB ARG A 40 -12.480 -0.626 6.472 1.00 0.00 C ATOM 574 CG ARG A 40 -12.390 -0.193 7.926 1.00 0.00 C ATOM 575 CD ARG A 40 -13.755 0.189 8.479 1.00 0.00 C ATOM 576 NE ARG A 40 -14.663 -0.952 8.533 1.00 0.00 N ATOM 577 CZ ARG A 40 -15.942 -0.858 8.878 1.00 0.00 C ATOM 578 NH1 ARG A 40 -16.461 0.319 9.197 1.00 0.00 N ATOM 579 NH2 ARG A 40 -16.705 -1.943 8.903 1.00 0.00 N ATOM 0 H ARG A 40 -10.606 0.747 5.604 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.642 -1.703 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.745 0.237 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.287 -1.351 6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.968 -1.002 8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.711 0.655 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.637 0.606 9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.192 0.971 7.858 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.295 -1.872 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.878 1.156 9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.444 0.388 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.309 -2.850 8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.687 -1.870 9.168 1.00 0.00 H new ATOM 593 N LYS A 41 -11.831 -1.887 3.686 1.00 0.00 N ATOM 594 CA LYS A 41 -12.162 -2.812 2.610 1.00 0.00 C ATOM 595 C LYS A 41 -11.188 -3.985 2.581 1.00 0.00 C ATOM 596 O LYS A 41 -11.599 -5.145 2.540 1.00 0.00 O ATOM 597 CB LYS A 41 -12.144 -2.087 1.262 1.00 0.00 C ATOM 598 CG LYS A 41 -12.268 -3.018 0.068 1.00 0.00 C ATOM 599 CD LYS A 41 -12.751 -2.278 -1.167 1.00 0.00 C ATOM 600 CE LYS A 41 -14.235 -1.951 -1.078 1.00 0.00 C ATOM 601 NZ LYS A 41 -14.833 -1.716 -2.421 1.00 0.00 N ATOM 0 H LYS A 41 -11.867 -0.903 3.421 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.164 -3.199 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.961 -1.366 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.216 -1.521 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.302 -3.479 -0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.962 -3.825 0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.181 -1.357 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.564 -2.885 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.759 -2.771 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.375 -1.065 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.844 -1.496 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.351 -0.918 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.722 -2.570 -3.005 1.00 0.00 H new ATOM 615 N MET A 42 -9.896 -3.676 2.605 1.00 0.00 N ATOM 616 CA MET A 42 -8.864 -4.705 2.585 1.00 0.00 C ATOM 617 C MET A 42 -8.884 -5.521 3.874 1.00 0.00 C ATOM 618 O MET A 42 -9.100 -6.732 3.849 1.00 0.00 O ATOM 619 CB MET A 42 -7.484 -4.072 2.391 1.00 0.00 C ATOM 620 CG MET A 42 -7.361 -3.267 1.108 1.00 0.00 C ATOM 621 SD MET A 42 -6.198 -1.897 1.256 1.00 0.00 S ATOM 622 CE MET A 42 -4.644 -2.738 0.960 1.00 0.00 C ATOM 0 H MET A 42 -9.539 -2.721 2.638 1.00 0.00 H new ATOM 0 HA MET A 42 -9.070 -5.373 1.749 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.268 -3.423 3.240 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.729 -4.858 2.391 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.040 -3.925 0.300 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.341 -2.878 0.832 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.012 -2.656 1.844 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.834 -3.790 0.746 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.139 -2.280 0.109 1.00 0.00 H new ATOM 632 N MET A 43 -8.658 -4.849 4.998 1.00 0.00 N ATOM 633 CA MET A 43 -8.652 -5.513 6.296 1.00 0.00 C ATOM 634 C MET A 43 -9.760 -6.557 6.379 1.00 0.00 C ATOM 635 O MET A 43 -9.627 -7.565 7.074 1.00 0.00 O ATOM 636 CB MET A 43 -8.818 -4.486 7.419 1.00 0.00 C ATOM 637 CG MET A 43 -7.705 -3.451 7.465 1.00 0.00 C ATOM 638 SD MET A 43 -7.586 -2.633 9.067 1.00 0.00 S ATOM 639 CE MET A 43 -8.466 -1.108 8.735 1.00 0.00 C ATOM 0 H MET A 43 -8.477 -3.846 5.036 1.00 0.00 H new ATOM 0 HA MET A 43 -7.693 -6.018 6.413 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.773 -3.975 7.295 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.857 -5.008 8.375 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.755 -3.934 7.236 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.877 -2.703 6.691 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.752 -0.290 8.636 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.033 -1.209 7.810 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.149 -0.896 9.558 1.00 0.00 H new ATOM 649 N ASP A 44 -10.854 -6.310 5.665 1.00 0.00 N ATOM 650 CA ASP A 44 -11.985 -7.230 5.658 1.00 0.00 C ATOM 651 C ASP A 44 -11.825 -8.279 4.561 1.00 0.00 C ATOM 652 O ASP A 44 -12.236 -9.427 4.724 1.00 0.00 O ATOM 653 CB ASP A 44 -13.293 -6.462 5.459 1.00 0.00 C ATOM 654 CG ASP A 44 -13.928 -6.050 6.773 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.183 -5.848 7.753 1.00 0.00 O ATOM 656 OD2 ASP A 44 -15.171 -5.933 6.820 1.00 0.00 O ATOM 0 H ASP A 44 -10.981 -5.481 5.084 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.014 -7.739 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.101 -5.574 4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.993 -7.082 4.899 1.00 0.00 H new ATOM 661 N GLU A 45 -11.227 -7.875 3.445 1.00 0.00 N ATOM 662 CA GLU A 45 -11.015 -8.779 2.322 1.00 0.00 C ATOM 663 C GLU A 45 -9.961 -9.829 2.660 1.00 0.00 C ATOM 664 O GLU A 45 -10.169 -11.025 2.451 1.00 0.00 O ATOM 665 CB GLU A 45 -10.590 -7.994 1.079 1.00 0.00 C ATOM 666 CG GLU A 45 -9.083 -7.870 0.924 1.00 0.00 C ATOM 667 CD GLU A 45 -8.684 -7.151 -0.349 1.00 0.00 C ATOM 668 OE1 GLU A 45 -8.569 -5.908 -0.318 1.00 0.00 O ATOM 669 OE2 GLU A 45 -8.487 -7.832 -1.377 1.00 0.00 O ATOM 0 H GLU A 45 -10.881 -6.927 3.295 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.957 -9.288 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.999 -8.482 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.026 -6.996 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.676 -7.334 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.638 -8.865 0.929 1.00 0.00 H new ATOM 676 N PHE A 46 -8.827 -9.374 3.183 1.00 0.00 N ATOM 677 CA PHE A 46 -7.739 -10.272 3.550 1.00 0.00 C ATOM 678 C PHE A 46 -7.839 -10.677 5.018 1.00 0.00 C ATOM 679 O PHE A 46 -7.100 -11.544 5.484 1.00 0.00 O ATOM 680 CB PHE A 46 -6.388 -9.606 3.283 1.00 0.00 C ATOM 681 CG PHE A 46 -6.153 -9.283 1.836 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.809 -10.280 0.937 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.277 -7.984 1.373 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.593 -9.987 -0.397 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.063 -7.684 0.041 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.719 -8.687 -0.845 1.00 0.00 C ATOM 0 H PHE A 46 -8.638 -8.388 3.362 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.820 -11.170 2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.323 -8.688 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.593 -10.263 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.708 -11.298 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.544 -7.196 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.326 -10.774 -1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.165 -6.667 -0.307 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.549 -8.455 -1.886 1.00 0.00 H new ATOM 696 N GLU A 47 -8.756 -10.043 5.740 1.00 0.00 N ATOM 697 CA GLU A 47 -8.952 -10.335 7.155 1.00 0.00 C ATOM 698 C GLU A 47 -7.692 -10.016 7.955 1.00 0.00 C ATOM 699 O GLU A 47 -7.261 -10.804 8.797 1.00 0.00 O ATOM 700 CB GLU A 47 -9.331 -11.805 7.346 1.00 0.00 C ATOM 701 CG GLU A 47 -10.788 -12.103 7.034 1.00 0.00 C ATOM 702 CD GLU A 47 -11.290 -13.355 7.726 1.00 0.00 C ATOM 703 OE1 GLU A 47 -11.466 -13.318 8.963 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.505 -14.371 7.034 1.00 0.00 O ATOM 0 H GLU A 47 -9.376 -9.323 5.368 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.764 -9.707 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.698 -12.421 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.122 -12.095 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.401 -11.254 7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.909 -12.215 5.957 1.00 0.00 H new ATOM 711 N VAL A 48 -7.106 -8.853 7.687 1.00 0.00 N ATOM 712 CA VAL A 48 -5.897 -8.428 8.381 1.00 0.00 C ATOM 713 C VAL A 48 -6.077 -7.047 9.001 1.00 0.00 C ATOM 714 O VAL A 48 -7.160 -6.467 8.946 1.00 0.00 O ATOM 715 CB VAL A 48 -4.685 -8.397 7.430 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.119 -9.797 7.242 1.00 0.00 C ATOM 717 CG2 VAL A 48 -5.073 -7.785 6.093 1.00 0.00 C ATOM 0 H VAL A 48 -7.450 -8.188 6.994 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.712 -9.157 9.170 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.910 -7.774 7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.264 -9.756 6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.802 -10.194 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.885 -10.445 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.205 -7.771 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.865 -8.379 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.427 -6.766 6.248 1.00 0.00 H new ATOM 727 N ASN A 49 -5.007 -6.526 9.594 1.00 0.00 N ATOM 728 CA ASN A 49 -5.046 -5.213 10.226 1.00 0.00 C ATOM 729 C ASN A 49 -3.883 -4.346 9.751 1.00 0.00 C ATOM 730 O ASN A 49 -2.723 -4.632 10.046 1.00 0.00 O ATOM 731 CB ASN A 49 -5.002 -5.355 11.748 1.00 0.00 C ATOM 732 CG ASN A 49 -6.148 -6.192 12.285 1.00 0.00 C ATOM 733 OD1 ASN A 49 -5.944 -7.305 12.770 1.00 0.00 O ATOM 734 ND2 ASN A 49 -7.360 -5.659 12.198 1.00 0.00 N ATOM 0 H ASN A 49 -4.102 -6.994 9.650 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.979 -4.727 9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.056 -5.810 12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.034 -4.365 12.203 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.170 -6.175 12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.482 -4.733 11.788 1.00 0.00 H new ATOM 741 N ILE A 50 -4.204 -3.287 9.016 1.00 0.00 N ATOM 742 CA ILE A 50 -3.188 -2.377 8.501 1.00 0.00 C ATOM 743 C ILE A 50 -3.002 -1.181 9.428 1.00 0.00 C ATOM 744 O ILE A 50 -3.974 -0.574 9.879 1.00 0.00 O ATOM 745 CB ILE A 50 -3.547 -1.871 7.092 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.607 -3.039 6.106 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.535 -0.832 6.630 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.158 -2.657 4.750 1.00 0.00 C ATOM 0 H ILE A 50 -5.160 -3.038 8.763 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.257 -2.941 8.448 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.530 -1.402 7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.605 -3.449 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.224 -3.831 6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.801 -0.483 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.537 0.011 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.541 -1.278 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.171 -3.534 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.172 -2.274 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.528 -1.887 4.305 1.00 0.00 H new ATOM 760 N HIS A 51 -1.747 -0.845 9.709 1.00 0.00 N ATOM 761 CA HIS A 51 -1.432 0.282 10.580 1.00 0.00 C ATOM 762 C HIS A 51 -0.568 1.306 9.852 1.00 0.00 C ATOM 763 O HIS A 51 0.448 0.961 9.249 1.00 0.00 O ATOM 764 CB HIS A 51 -0.715 -0.206 11.839 1.00 0.00 C ATOM 765 CG HIS A 51 -1.646 -0.627 12.934 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.562 -0.141 14.222 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.687 -1.493 12.927 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.510 -0.691 14.960 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.206 -1.515 14.198 1.00 0.00 N ATOM 0 H HIS A 51 -0.931 -1.338 9.346 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.368 0.762 10.867 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.071 -1.046 11.578 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.068 0.589 12.209 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.043 -2.061 12.080 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.686 -0.499 16.008 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.000 -2.077 14.504 1.00 0.00 H new ATOM 777 N VAL A 52 -0.980 2.569 9.911 1.00 0.00 N ATOM 778 CA VAL A 52 -0.244 3.645 9.259 1.00 0.00 C ATOM 779 C VAL A 52 0.434 4.548 10.283 1.00 0.00 C ATOM 780 O VAL A 52 -0.139 4.898 11.315 1.00 0.00 O ATOM 781 CB VAL A 52 -1.168 4.499 8.370 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.393 5.647 7.741 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.822 3.638 7.301 1.00 0.00 C ATOM 0 H VAL A 52 -1.820 2.872 10.404 1.00 0.00 H new ATOM 0 HA VAL A 52 0.516 3.175 8.635 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.954 4.923 8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.062 6.239 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.024 6.278 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.416 5.248 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.471 4.257 6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.052 3.184 6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.413 2.855 7.776 1.00 0.00 H new ATOM 793 N PRO A 53 1.685 4.937 9.994 1.00 0.00 N ATOM 794 CA PRO A 53 2.468 5.804 10.877 1.00 0.00 C ATOM 795 C PRO A 53 1.930 7.231 10.915 1.00 0.00 C ATOM 796 O PRO A 53 1.532 7.780 9.889 1.00 0.00 O ATOM 797 CB PRO A 53 3.866 5.777 10.254 1.00 0.00 C ATOM 798 CG PRO A 53 3.634 5.459 8.817 1.00 0.00 C ATOM 799 CD PRO A 53 2.431 4.557 8.782 1.00 0.00 C ATOM 0 HA PRO A 53 2.441 5.462 11.912 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.370 6.736 10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.497 5.026 10.729 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.458 6.367 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.503 4.967 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.839 4.712 7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.717 3.505 8.799 1.00 0.00 H new ATOM 807 N ALA A 54 1.921 7.824 12.104 1.00 0.00 N ATOM 808 CA ALA A 54 1.435 9.188 12.274 1.00 0.00 C ATOM 809 C ALA A 54 2.117 10.140 11.298 1.00 0.00 C ATOM 810 O ALA A 54 3.137 9.817 10.688 1.00 0.00 O ATOM 811 CB ALA A 54 1.652 9.651 13.706 1.00 0.00 C ATOM 0 H ALA A 54 2.245 7.381 12.964 1.00 0.00 H new ATOM 0 HA ALA A 54 0.366 9.196 12.060 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.284 10.671 13.818 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.111 8.994 14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.716 9.621 13.941 1.00 0.00 H new ATOM 817 N PRO A 55 1.544 11.343 11.145 1.00 0.00 N ATOM 818 CA PRO A 55 2.081 12.367 10.244 1.00 0.00 C ATOM 819 C PRO A 55 3.397 12.949 10.747 1.00 0.00 C ATOM 820 O PRO A 55 4.252 13.347 9.957 1.00 0.00 O ATOM 821 CB PRO A 55 0.990 13.440 10.236 1.00 0.00 C ATOM 822 CG PRO A 55 0.279 13.268 11.534 1.00 0.00 C ATOM 823 CD PRO A 55 0.328 11.797 11.841 1.00 0.00 C ATOM 0 HA PRO A 55 2.308 11.963 9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.418 14.439 10.148 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.312 13.309 9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.760 13.847 12.322 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.751 13.618 11.464 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.386 11.612 12.914 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.560 11.281 11.476 1.00 0.00 H new ATOM 831 N GLU A 56 3.552 12.996 12.067 1.00 0.00 N ATOM 832 CA GLU A 56 4.765 13.531 12.674 1.00 0.00 C ATOM 833 C GLU A 56 5.975 12.669 12.323 1.00 0.00 C ATOM 834 O GLU A 56 7.085 13.175 12.158 1.00 0.00 O ATOM 835 CB GLU A 56 4.608 13.613 14.194 1.00 0.00 C ATOM 836 CG GLU A 56 4.348 12.269 14.852 1.00 0.00 C ATOM 837 CD GLU A 56 4.595 12.295 16.348 1.00 0.00 C ATOM 838 OE1 GLU A 56 3.860 13.011 17.059 1.00 0.00 O ATOM 839 OE2 GLU A 56 5.525 11.598 16.807 1.00 0.00 O ATOM 0 H GLU A 56 2.854 12.670 12.735 1.00 0.00 H new ATOM 0 HA GLU A 56 4.927 14.533 12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.511 14.049 14.621 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.786 14.289 14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.317 11.969 14.663 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.988 11.515 14.395 1.00 0.00 H new ATOM 846 N LEU A 57 5.752 11.364 12.211 1.00 0.00 N ATOM 847 CA LEU A 57 6.823 10.431 11.880 1.00 0.00 C ATOM 848 C LEU A 57 7.175 10.510 10.398 1.00 0.00 C ATOM 849 O LEU A 57 8.273 10.128 9.991 1.00 0.00 O ATOM 850 CB LEU A 57 6.411 9.002 12.243 1.00 0.00 C ATOM 851 CG LEU A 57 6.233 8.713 13.733 1.00 0.00 C ATOM 852 CD1 LEU A 57 5.615 7.338 13.940 1.00 0.00 C ATOM 853 CD2 LEU A 57 7.566 8.814 14.459 1.00 0.00 C ATOM 0 H LEU A 57 4.839 10.928 12.345 1.00 0.00 H new ATOM 0 HA LEU A 57 7.704 10.707 12.459 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.474 8.775 11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.161 8.317 11.848 1.00 0.00 H new ATOM 0 HG LEU A 57 5.557 9.460 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.496 7.150 15.007 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.640 7.300 13.454 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.266 6.578 13.508 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.420 8.605 15.519 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.265 8.090 14.039 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.970 9.819 14.340 1.00 0.00 H new ATOM 865 N GLN A 58 6.240 11.009 9.598 1.00 0.00 N ATOM 866 CA GLN A 58 6.453 11.140 8.162 1.00 0.00 C ATOM 867 C GLN A 58 7.239 9.951 7.618 1.00 0.00 C ATOM 868 O GLN A 58 8.251 10.122 6.938 1.00 0.00 O ATOM 869 CB GLN A 58 7.195 12.441 7.851 1.00 0.00 C ATOM 870 CG GLN A 58 8.127 12.890 8.965 1.00 0.00 C ATOM 871 CD GLN A 58 8.809 14.209 8.658 1.00 0.00 C ATOM 872 OE1 GLN A 58 10.027 14.266 8.484 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.026 15.280 8.591 1.00 0.00 N ATOM 0 H GLN A 58 5.327 11.330 9.920 1.00 0.00 H new ATOM 0 HA GLN A 58 5.477 11.161 7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.772 12.311 6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.466 13.228 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.561 12.985 9.891 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.884 12.124 9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.021 15.188 8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.429 16.195 8.389 1.00 0.00 H new ATOM 882 N SER A 59 6.766 8.746 7.922 1.00 0.00 N ATOM 883 CA SER A 59 7.427 7.529 7.468 1.00 0.00 C ATOM 884 C SER A 59 6.758 6.985 6.209 1.00 0.00 C ATOM 885 O SER A 59 5.552 7.137 6.019 1.00 0.00 O ATOM 886 CB SER A 59 7.403 6.468 8.570 1.00 0.00 C ATOM 887 OG SER A 59 8.403 5.487 8.356 1.00 0.00 O ATOM 0 H SER A 59 5.928 8.587 8.481 1.00 0.00 H new ATOM 0 HA SER A 59 8.463 7.774 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.556 6.943 9.539 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.423 5.992 8.600 1.00 0.00 H new ATOM 0 HG SER A 59 8.368 4.822 9.075 1.00 0.00 H new ATOM 893 N ASP A 60 7.551 6.352 5.352 1.00 0.00 N ATOM 894 CA ASP A 60 7.037 5.785 4.111 1.00 0.00 C ATOM 895 C ASP A 60 6.939 4.265 4.207 1.00 0.00 C ATOM 896 O ASP A 60 6.890 3.571 3.192 1.00 0.00 O ATOM 897 CB ASP A 60 7.935 6.176 2.936 1.00 0.00 C ATOM 898 CG ASP A 60 8.330 7.639 2.971 1.00 0.00 C ATOM 899 OD1 ASP A 60 7.550 8.450 3.514 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.417 7.973 2.455 1.00 0.00 O ATOM 0 H ASP A 60 8.552 6.219 5.494 1.00 0.00 H new ATOM 0 HA ASP A 60 6.037 6.186 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.834 5.560 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.417 5.965 2.001 1.00 0.00 H new ATOM 905 N ILE A 61 6.912 3.756 5.434 1.00 0.00 N ATOM 906 CA ILE A 61 6.819 2.320 5.664 1.00 0.00 C ATOM 907 C ILE A 61 5.596 1.975 6.507 1.00 0.00 C ATOM 908 O ILE A 61 5.569 2.232 7.711 1.00 0.00 O ATOM 909 CB ILE A 61 8.081 1.779 6.361 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.327 2.489 5.832 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.194 0.275 6.159 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.656 2.144 4.396 1.00 0.00 C ATOM 0 H ILE A 61 6.953 4.317 6.285 1.00 0.00 H new ATOM 0 HA ILE A 61 6.725 1.849 4.685 1.00 0.00 H new ATOM 0 HB ILE A 61 8.001 1.977 7.430 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.184 3.566 5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.178 2.231 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.091 -0.093 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.317 -0.216 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.255 0.055 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.551 2.684 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.831 1.072 4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.822 2.428 3.754 1.00 0.00 H new ATOM 924 N ILE A 62 4.589 1.390 5.869 1.00 0.00 N ATOM 925 CA ILE A 62 3.365 1.008 6.562 1.00 0.00 C ATOM 926 C ILE A 62 3.512 -0.359 7.223 1.00 0.00 C ATOM 927 O ILE A 62 4.092 -1.279 6.647 1.00 0.00 O ATOM 928 CB ILE A 62 2.162 0.975 5.601 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.724 2.398 5.249 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.010 0.199 6.224 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.768 2.463 4.078 1.00 0.00 C ATOM 0 H ILE A 62 4.596 1.170 4.873 1.00 0.00 H new ATOM 0 HA ILE A 62 3.187 1.762 7.329 1.00 0.00 H new ATOM 0 HB ILE A 62 2.461 0.470 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.250 2.850 6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.607 2.995 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.166 0.184 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.329 -0.823 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.709 0.680 7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.500 3.502 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.246 2.041 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.132 1.893 4.311 1.00 0.00 H new ATOM 943 N ALA A 63 2.981 -0.484 8.434 1.00 0.00 N ATOM 944 CA ALA A 63 3.049 -1.738 9.173 1.00 0.00 C ATOM 945 C ALA A 63 1.728 -2.496 9.091 1.00 0.00 C ATOM 946 O ALA A 63 0.679 -1.974 9.468 1.00 0.00 O ATOM 947 CB ALA A 63 3.421 -1.478 10.624 1.00 0.00 C ATOM 0 H ALA A 63 2.498 0.269 8.925 1.00 0.00 H new ATOM 0 HA ALA A 63 3.822 -2.357 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.468 -2.424 11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.393 -0.987 10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.669 -0.836 11.083 1.00 0.00 H new ATOM 953 N ILE A 64 1.787 -3.728 8.596 1.00 0.00 N ATOM 954 CA ILE A 64 0.595 -4.556 8.466 1.00 0.00 C ATOM 955 C ILE A 64 0.693 -5.802 9.340 1.00 0.00 C ATOM 956 O ILE A 64 1.689 -6.525 9.300 1.00 0.00 O ATOM 957 CB ILE A 64 0.364 -4.985 7.005 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.323 -3.758 6.091 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.925 -5.784 6.885 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.209 -4.101 4.622 1.00 0.00 C ATOM 0 H ILE A 64 2.648 -4.174 8.279 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.248 -3.949 8.796 1.00 0.00 H new ATOM 0 HB ILE A 64 1.193 -5.620 6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.522 -3.131 6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.225 -3.167 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.074 -6.080 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.861 -6.674 7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.765 -5.171 7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.185 -3.183 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.067 -4.702 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.708 -4.665 4.450 1.00 0.00 H new ATOM 972 N THR A 65 -0.349 -6.049 10.128 1.00 0.00 N ATOM 973 CA THR A 65 -0.381 -7.208 11.011 1.00 0.00 C ATOM 974 C THR A 65 -1.273 -8.306 10.445 1.00 0.00 C ATOM 975 O THR A 65 -2.350 -8.034 9.916 1.00 0.00 O ATOM 976 CB THR A 65 -0.883 -6.829 12.418 1.00 0.00 C ATOM 977 OG1 THR A 65 -0.148 -5.703 12.913 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.736 -7.999 13.378 1.00 0.00 C ATOM 0 H THR A 65 -1.182 -5.462 10.172 1.00 0.00 H new ATOM 0 HA THR A 65 0.642 -7.577 11.085 1.00 0.00 H new ATOM 0 HB THR A 65 -1.939 -6.570 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.474 -5.467 13.807 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.097 -7.708 14.364 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.319 -8.844 13.013 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.314 -8.285 13.445 1.00 0.00 H new ATOM 986 N GLY A 66 -0.819 -9.550 10.560 1.00 0.00 N ATOM 987 CA GLY A 66 -1.590 -10.671 10.055 1.00 0.00 C ATOM 988 C GLY A 66 -0.747 -11.918 9.872 1.00 0.00 C ATOM 989 O GLY A 66 0.460 -11.903 10.119 1.00 0.00 O ATOM 0 H GLY A 66 0.069 -9.802 10.994 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.407 -10.886 10.744 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.041 -10.398 9.101 1.00 0.00 H new ATOM 993 N LEU A 67 -1.383 -13.002 9.440 1.00 0.00 N ATOM 994 CA LEU A 67 -0.684 -14.265 9.225 1.00 0.00 C ATOM 995 C LEU A 67 0.231 -14.181 8.009 1.00 0.00 C ATOM 996 O LEU A 67 -0.154 -13.657 6.965 1.00 0.00 O ATOM 997 CB LEU A 67 -1.691 -15.403 9.043 1.00 0.00 C ATOM 998 CG LEU A 67 -2.513 -15.776 10.278 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.482 -16.901 9.953 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.598 -16.172 11.428 1.00 0.00 C ATOM 0 H LEU A 67 -2.381 -13.032 9.232 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.071 -14.467 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.379 -15.128 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.151 -16.289 8.709 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.091 -14.904 10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.058 -17.153 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.159 -16.581 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.924 -17.777 9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.200 -16.434 12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.993 -17.030 11.133 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.944 -15.336 11.677 1.00 0.00 H new ATOM 1012 N ALA A 68 1.445 -14.703 8.151 1.00 0.00 N ATOM 1013 CA ALA A 68 2.414 -14.691 7.062 1.00 0.00 C ATOM 1014 C ALA A 68 1.731 -14.913 5.718 1.00 0.00 C ATOM 1015 O ALA A 68 2.172 -14.390 4.693 1.00 0.00 O ATOM 1016 CB ALA A 68 3.484 -15.748 7.295 1.00 0.00 C ATOM 0 H ALA A 68 1.781 -15.139 9.010 1.00 0.00 H new ATOM 0 HA ALA A 68 2.888 -13.710 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.201 -15.727 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.000 -15.542 8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.018 -16.732 7.346 1.00 0.00 H new ATOM 1022 N ALA A 69 0.656 -15.692 5.727 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.088 -15.982 4.507 1.00 0.00 C ATOM 1024 C ALA A 69 -0.908 -14.775 4.064 1.00 0.00 C ATOM 1025 O ALA A 69 -0.827 -14.347 2.913 1.00 0.00 O ATOM 1026 CB ALA A 69 -0.991 -17.189 4.715 1.00 0.00 C ATOM 0 H ALA A 69 0.280 -16.134 6.566 1.00 0.00 H new ATOM 0 HA ALA A 69 0.629 -16.210 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.541 -17.395 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.385 -18.056 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.695 -16.982 5.521 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.698 -14.232 4.985 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.534 -13.075 4.687 1.00 0.00 C ATOM 1034 C ASN A 70 -1.679 -11.860 4.339 1.00 0.00 C ATOM 1035 O ASN A 70 -1.967 -11.136 3.386 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.437 -12.752 5.880 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.022 -13.998 6.516 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -3.691 -15.119 6.131 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.897 -13.806 7.497 1.00 0.00 N ATOM 0 H ASN A 70 -1.777 -14.574 5.943 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.154 -13.319 3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.865 -12.201 6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.247 -12.100 5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.324 -14.606 7.964 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.142 -12.858 7.784 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.624 -11.643 5.119 1.00 0.00 N ATOM 1047 CA LEU A 71 0.274 -10.517 4.894 1.00 0.00 C ATOM 1048 C LEU A 71 0.745 -10.477 3.443 1.00 0.00 C ATOM 1049 O LEU A 71 0.858 -9.407 2.845 1.00 0.00 O ATOM 1050 CB LEU A 71 1.481 -10.607 5.830 1.00 0.00 C ATOM 1051 CG LEU A 71 1.165 -10.721 7.321 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.381 -11.218 8.089 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.697 -9.382 7.872 1.00 0.00 C ATOM 0 H LEU A 71 -0.371 -12.232 5.912 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.275 -9.599 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.078 -11.471 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.101 -9.724 5.677 1.00 0.00 H new ATOM 0 HG LEU A 71 0.360 -11.445 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.137 -11.293 9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.672 -12.199 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.206 -10.519 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.477 -9.483 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.481 -8.637 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.202 -9.065 7.344 1.00 0.00 H new ATOM 1065 N ASP A 72 1.016 -11.650 2.881 1.00 0.00 N ATOM 1066 CA ASP A 72 1.470 -11.751 1.499 1.00 0.00 C ATOM 1067 C ASP A 72 0.411 -11.218 0.540 1.00 0.00 C ATOM 1068 O ASP A 72 0.699 -10.378 -0.313 1.00 0.00 O ATOM 1069 CB ASP A 72 1.805 -13.202 1.155 1.00 0.00 C ATOM 1070 CG ASP A 72 3.214 -13.584 1.563 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.765 -12.934 2.477 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.767 -14.534 0.969 1.00 0.00 O ATOM 0 H ASP A 72 0.929 -12.545 3.362 1.00 0.00 H new ATOM 0 HA ASP A 72 2.369 -11.144 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.095 -13.863 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.687 -13.354 0.082 1.00 0.00 H new ATOM 1077 N ARG A 73 -0.814 -11.712 0.684 1.00 0.00 N ATOM 1078 CA ARG A 73 -1.915 -11.287 -0.172 1.00 0.00 C ATOM 1079 C ARG A 73 -2.214 -9.804 0.022 1.00 0.00 C ATOM 1080 O ARG A 73 -2.210 -9.029 -0.935 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.168 -12.114 0.125 1.00 0.00 C ATOM 1082 CG ARG A 73 -2.867 -13.524 0.605 1.00 0.00 C ATOM 1083 CD ARG A 73 -3.966 -14.496 0.202 1.00 0.00 C ATOM 1084 NE ARG A 73 -3.550 -15.887 0.357 1.00 0.00 N ATOM 1085 CZ ARG A 73 -2.690 -16.491 -0.455 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -2.156 -15.831 -1.472 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -2.361 -17.761 -0.249 1.00 0.00 N ATOM 0 H ARG A 73 -1.069 -12.407 1.385 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.619 -11.447 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.761 -11.600 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.779 -12.169 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.916 -13.856 0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.758 -13.525 1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.852 -14.313 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.247 -14.315 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.941 -16.424 1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.405 -14.855 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.496 -16.299 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.769 -18.273 0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.700 -18.224 -0.873 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.472 -9.415 1.267 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.771 -8.025 1.586 1.00 0.00 C ATOM 1103 C ALA A 74 -1.674 -7.096 1.078 1.00 0.00 C ATOM 1104 O ALA A 74 -1.942 -6.140 0.352 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.955 -7.857 3.087 1.00 0.00 C ATOM 0 H ALA A 74 -2.480 -10.043 2.070 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.700 -7.754 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.178 -6.814 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.779 -8.485 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.040 -8.151 3.601 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.435 -7.385 1.465 1.00 0.00 N ATOM 1112 CA LYS A 75 0.705 -6.576 1.049 1.00 0.00 C ATOM 1113 C LYS A 75 0.735 -6.419 -0.468 1.00 0.00 C ATOM 1114 O LYS A 75 1.037 -5.343 -0.983 1.00 0.00 O ATOM 1115 CB LYS A 75 2.010 -7.212 1.532 1.00 0.00 C ATOM 1116 CG LYS A 75 3.247 -6.402 1.183 1.00 0.00 C ATOM 1117 CD LYS A 75 4.521 -7.182 1.459 1.00 0.00 C ATOM 1118 CE LYS A 75 5.731 -6.519 0.819 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.982 -6.795 1.578 1.00 0.00 N ATOM 0 H LYS A 75 -0.195 -8.173 2.066 1.00 0.00 H new ATOM 0 HA LYS A 75 0.601 -5.588 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.963 -7.341 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.103 -8.207 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.213 -6.120 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.253 -5.478 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.675 -7.260 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.417 -8.198 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.841 -6.876 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.569 -5.442 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.783 -6.326 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.887 -6.432 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.151 -7.821 1.608 1.00 0.00 H new ATOM 1133 N ALA A 76 0.419 -7.498 -1.177 1.00 0.00 N ATOM 1134 CA ALA A 76 0.407 -7.478 -2.634 1.00 0.00 C ATOM 1135 C ALA A 76 -0.599 -6.460 -3.161 1.00 0.00 C ATOM 1136 O ALA A 76 -0.327 -5.746 -4.126 1.00 0.00 O ATOM 1137 CB ALA A 76 0.093 -8.863 -3.178 1.00 0.00 C ATOM 0 H ALA A 76 0.168 -8.397 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 76 1.398 -7.181 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.087 -8.833 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.852 -9.568 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.885 -9.182 -2.819 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.762 -6.398 -2.520 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.791 -5.464 -2.938 1.00 0.00 C ATOM 1145 C GLY A 77 -2.351 -4.019 -2.809 1.00 0.00 C ATOM 1146 O GLY A 77 -2.504 -3.229 -3.742 1.00 0.00 O ATOM 0 H GLY A 77 -2.010 -6.978 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.062 -5.667 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.687 -5.623 -2.337 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.803 -3.671 -1.651 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.340 -2.311 -1.401 1.00 0.00 C ATOM 1152 C LEU A 78 -0.249 -1.916 -2.392 1.00 0.00 C ATOM 1153 O LEU A 78 -0.308 -0.849 -3.004 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.815 -2.183 0.030 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.849 -0.780 0.636 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.284 -0.297 0.783 1.00 0.00 C ATOM 1157 CD2 LEU A 78 -0.139 -0.762 1.981 1.00 0.00 C ATOM 0 H LEU A 78 -1.668 -4.312 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.186 -1.637 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.397 -2.847 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.214 -2.541 0.051 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.325 -0.102 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.289 0.703 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.761 -0.271 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.832 -0.977 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.173 0.245 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.634 -1.454 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.900 -1.064 1.848 1.00 0.00 H new ATOM 1169 N LEU A 79 0.744 -2.784 -2.545 1.00 0.00 N ATOM 1170 CA LEU A 79 1.849 -2.528 -3.465 1.00 0.00 C ATOM 1171 C LEU A 79 1.329 -2.128 -4.842 1.00 0.00 C ATOM 1172 O LEU A 79 1.765 -1.129 -5.414 1.00 0.00 O ATOM 1173 CB LEU A 79 2.737 -3.767 -3.582 1.00 0.00 C ATOM 1174 CG LEU A 79 3.539 -4.140 -2.334 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.131 -5.533 -2.476 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.635 -3.116 -2.080 1.00 0.00 C ATOM 0 H LEU A 79 0.808 -3.671 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 79 2.439 -1.702 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.108 -4.615 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.435 -3.613 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 79 2.864 -4.141 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.698 -5.781 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.328 -6.258 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.792 -5.561 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.196 -3.397 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.308 -3.083 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.188 -2.133 -1.933 1.00 0.00 H new ATOM 1188 N GLU A 80 0.394 -2.914 -5.367 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.186 -2.639 -6.676 1.00 0.00 C ATOM 1190 C GLU A 80 -0.998 -1.347 -6.653 1.00 0.00 C ATOM 1191 O GLU A 80 -1.024 -0.600 -7.631 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.073 -3.804 -7.120 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.306 -5.089 -7.381 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.030 -6.018 -8.337 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -1.783 -5.515 -9.197 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.842 -7.247 -8.223 1.00 0.00 O ATOM 0 H GLU A 80 0.023 -3.745 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 80 0.631 -2.521 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.825 -3.989 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.606 -3.519 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.675 -4.846 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.138 -5.606 -6.436 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.660 -1.092 -5.529 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.473 0.107 -5.377 1.00 0.00 C ATOM 1205 C ARG A 81 -1.601 1.359 -5.364 1.00 0.00 C ATOM 1206 O ARG A 81 -2.012 2.421 -5.832 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.297 0.032 -4.090 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.617 0.783 -4.165 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.719 -0.088 -4.747 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.962 0.656 -4.935 1.00 0.00 N ATOM 1211 CZ ARG A 81 -8.148 0.079 -5.085 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -8.254 -1.243 -5.068 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -9.234 0.824 -5.251 1.00 0.00 N ATOM 0 H ARG A 81 -1.649 -1.700 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.149 0.166 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.497 -1.014 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.706 0.434 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.904 1.118 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.495 1.676 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.392 -0.495 -5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.900 -0.935 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.916 1.675 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.423 -1.820 -4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.167 -1.683 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.158 1.841 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.145 0.379 -5.366 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.394 1.226 -4.824 1.00 0.00 N ATOM 1228 CA VAL A 82 0.538 2.346 -4.750 1.00 0.00 C ATOM 1229 C VAL A 82 1.137 2.653 -6.117 1.00 0.00 C ATOM 1230 O VAL A 82 1.377 3.813 -6.456 1.00 0.00 O ATOM 1231 CB VAL A 82 1.678 2.062 -3.754 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.700 3.188 -3.777 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.122 1.864 -2.352 1.00 0.00 C ATOM 0 H VAL A 82 -0.038 0.354 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.031 3.209 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 82 2.180 1.142 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.498 2.970 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.120 3.278 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.216 4.125 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.941 1.664 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.595 2.765 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.432 1.020 -2.350 1.00 0.00 H new ATOM 1243 N LYS A 83 1.378 1.607 -6.900 1.00 0.00 N ATOM 1244 CA LYS A 83 1.948 1.763 -8.234 1.00 0.00 C ATOM 1245 C LYS A 83 0.923 2.351 -9.198 1.00 0.00 C ATOM 1246 O LYS A 83 1.271 3.117 -10.096 1.00 0.00 O ATOM 1247 CB LYS A 83 2.445 0.415 -8.760 1.00 0.00 C ATOM 1248 CG LYS A 83 3.615 -0.150 -7.974 1.00 0.00 C ATOM 1249 CD LYS A 83 4.005 -1.532 -8.470 1.00 0.00 C ATOM 1250 CE LYS A 83 5.205 -2.080 -7.713 1.00 0.00 C ATOM 1251 NZ LYS A 83 6.490 -1.591 -8.286 1.00 0.00 N ATOM 0 H LYS A 83 1.187 0.641 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 83 2.791 2.451 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.623 -0.300 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.740 0.528 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.469 0.522 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.353 -0.202 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.161 -2.212 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.236 -1.486 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.139 -1.786 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.186 -3.169 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.285 -1.986 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.565 -1.893 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.519 -0.553 -8.237 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.341 1.988 -9.005 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.416 2.481 -9.859 1.00 0.00 C ATOM 1267 C GLU A 84 -1.908 3.844 -9.382 1.00 0.00 C ATOM 1268 O GLU A 84 -2.410 4.647 -10.170 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.577 1.485 -9.881 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.465 0.440 -10.977 1.00 0.00 C ATOM 1271 CD GLU A 84 -3.657 -0.495 -11.018 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -3.622 -1.532 -10.325 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -4.627 -0.188 -11.743 1.00 0.00 O ATOM 0 H GLU A 84 -0.646 1.355 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.022 2.590 -10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.630 0.982 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.511 2.032 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.367 0.939 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.556 -0.143 -10.826 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.762 4.098 -8.086 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.192 5.364 -7.502 1.00 0.00 C ATOM 1282 C LEU A 85 -1.304 6.511 -7.974 1.00 0.00 C ATOM 1283 O LEU A 85 -1.787 7.484 -8.554 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.166 5.279 -5.975 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.412 4.689 -5.315 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.103 4.247 -3.892 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.551 5.698 -5.326 1.00 0.00 C ATOM 0 H LEU A 85 -1.350 3.445 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.212 5.560 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.304 4.680 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.009 6.282 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.723 3.815 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.001 3.830 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.319 3.490 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.767 5.105 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.430 5.260 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.251 6.592 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.790 5.966 -6.355 1.00 0.00 H new