USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 393 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 16 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 22 ASN : amide:sc= -0.102 K(o=-0.1,f=-2!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0302 (180deg=-0.292) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0.458 (180deg=0.451) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 0.00239 (180deg=0) USER MOD Single : A 61 SER OG : rot -160:sc= -0.0131 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.653 0.438 -22.200 1.00 0.00 N ATOM 169 CA PHE A 14 9.150 -0.113 -20.945 1.00 0.00 C ATOM 170 C PHE A 14 8.107 -1.021 -20.299 1.00 0.00 C ATOM 171 O PHE A 14 6.910 -0.737 -20.341 1.00 0.00 O ATOM 172 CB PHE A 14 9.527 1.015 -19.982 1.00 0.00 C ATOM 173 CG PHE A 14 10.994 1.341 -19.986 1.00 0.00 C ATOM 174 CD1 PHE A 14 11.644 1.654 -21.168 1.00 0.00 C ATOM 175 CD2 PHE A 14 11.721 1.333 -18.807 1.00 0.00 C ATOM 176 CE1 PHE A 14 12.993 1.954 -21.175 1.00 0.00 C ATOM 177 CE2 PHE A 14 13.070 1.633 -18.807 1.00 0.00 C ATOM 178 CZ PHE A 14 13.707 1.943 -19.993 1.00 0.00 C ATOM 0 HA PHE A 14 10.038 -0.707 -21.164 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.963 1.910 -20.245 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.228 0.735 -18.972 1.00 0.00 H new ATOM 0 HD1 PHE A 14 11.090 1.664 -22.095 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.228 1.090 -17.877 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.488 2.197 -22.104 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.626 1.625 -17.881 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.761 2.176 -19.996 1.00 0.00 H new ATOM 188 N ILE A 15 8.571 -2.113 -19.702 1.00 0.00 N ATOM 189 CA ILE A 15 7.680 -3.063 -19.047 1.00 0.00 C ATOM 190 C ILE A 15 7.991 -3.171 -17.558 1.00 0.00 C ATOM 191 O ILE A 15 9.153 -3.155 -17.152 1.00 0.00 O ATOM 192 CB ILE A 15 7.781 -4.461 -19.684 1.00 0.00 C ATOM 193 CG1 ILE A 15 6.816 -5.429 -18.996 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.209 -4.979 -19.602 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.682 -6.757 -19.709 1.00 0.00 C ATOM 0 H ILE A 15 9.559 -2.362 -19.658 1.00 0.00 H new ATOM 0 HA ILE A 15 6.666 -2.686 -19.178 1.00 0.00 H new ATOM 0 HB ILE A 15 7.503 -4.386 -20.735 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.157 -5.606 -17.976 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.833 -4.962 -18.927 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.264 -5.968 -20.056 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.874 -4.298 -20.133 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.514 -5.042 -18.557 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.983 -7.393 -19.166 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.311 -6.591 -20.720 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.656 -7.245 -19.755 1.00 0.00 H new ATOM 207 N THR A 16 6.944 -3.284 -16.747 1.00 0.00 N ATOM 208 CA THR A 16 7.104 -3.396 -15.303 1.00 0.00 C ATOM 209 C THR A 16 7.784 -4.707 -14.926 1.00 0.00 C ATOM 210 O THR A 16 7.891 -5.620 -15.743 1.00 0.00 O ATOM 211 CB THR A 16 5.747 -3.308 -14.579 1.00 0.00 C ATOM 212 OG1 THR A 16 4.702 -3.054 -15.525 1.00 0.00 O ATOM 213 CG2 THR A 16 5.765 -2.208 -13.528 1.00 0.00 C ATOM 0 H THR A 16 5.975 -3.300 -17.066 1.00 0.00 H new ATOM 0 HA THR A 16 7.730 -2.561 -14.988 1.00 0.00 H new ATOM 0 HB THR A 16 5.563 -4.261 -14.082 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.843 -3.001 -15.057 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.796 -2.165 -13.030 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.542 -2.420 -12.793 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.970 -1.251 -14.007 1.00 0.00 H new ATOM 221 N GLY A 17 8.242 -4.794 -13.680 1.00 0.00 N ATOM 222 CA GLY A 17 8.906 -5.998 -13.216 1.00 0.00 C ATOM 223 C GLY A 17 7.979 -7.197 -13.189 1.00 0.00 C ATOM 224 O GLY A 17 8.171 -8.156 -13.936 1.00 0.00 O ATOM 0 H GLY A 17 8.165 -4.052 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.755 -6.214 -13.864 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.304 -5.827 -12.216 1.00 0.00 H new ATOM 228 N VAL A 18 6.972 -7.145 -12.323 1.00 0.00 N ATOM 229 CA VAL A 18 6.012 -8.235 -12.200 1.00 0.00 C ATOM 230 C VAL A 18 5.352 -8.540 -13.540 1.00 0.00 C ATOM 231 O VAL A 18 5.019 -9.688 -13.833 1.00 0.00 O ATOM 232 CB VAL A 18 4.920 -7.907 -11.165 1.00 0.00 C ATOM 233 CG1 VAL A 18 4.175 -6.640 -11.557 1.00 0.00 C ATOM 234 CG2 VAL A 18 3.958 -9.077 -11.017 1.00 0.00 C ATOM 0 H VAL A 18 6.800 -6.359 -11.696 1.00 0.00 H new ATOM 0 HA VAL A 18 6.568 -9.110 -11.865 1.00 0.00 H new ATOM 0 HB VAL A 18 5.398 -7.735 -10.201 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.407 -6.425 -10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.876 -5.807 -11.607 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.707 -6.780 -12.532 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.193 -8.828 -10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.485 -9.283 -11.977 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.506 -9.959 -10.686 1.00 0.00 H new ATOM 244 N ARG A 19 5.166 -7.503 -14.351 1.00 0.00 N ATOM 245 CA ARG A 19 4.545 -7.659 -15.660 1.00 0.00 C ATOM 246 C ARG A 19 5.356 -8.609 -16.537 1.00 0.00 C ATOM 247 O ARG A 19 4.803 -9.321 -17.375 1.00 0.00 O ATOM 248 CB ARG A 19 4.411 -6.301 -16.350 1.00 0.00 C ATOM 249 CG ARG A 19 2.974 -5.824 -16.483 1.00 0.00 C ATOM 250 CD ARG A 19 2.273 -6.488 -17.658 1.00 0.00 C ATOM 251 NE ARG A 19 1.617 -7.734 -17.271 1.00 0.00 N ATOM 252 CZ ARG A 19 0.439 -7.785 -16.659 1.00 0.00 C ATOM 253 NH1 ARG A 19 -0.209 -6.666 -16.367 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.094 -8.957 -16.339 1.00 0.00 N ATOM 0 H ARG A 19 5.437 -6.546 -14.124 1.00 0.00 H new ATOM 0 HA ARG A 19 3.552 -8.084 -15.514 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.980 -5.560 -15.789 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.858 -6.362 -17.342 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.431 -6.042 -15.564 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.959 -4.742 -16.613 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.534 -5.803 -18.073 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.999 -6.690 -18.446 1.00 0.00 H new ATOM 0 HE ARG A 19 2.089 -8.613 -17.482 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.197 -5.763 -16.612 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.113 -6.708 -15.897 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.401 -9.820 -16.563 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.999 -8.995 -15.869 1.00 0.00 H new ATOM 268 N ALA A 20 6.670 -8.614 -16.337 1.00 0.00 N ATOM 269 CA ALA A 20 7.556 -9.477 -17.108 1.00 0.00 C ATOM 270 C ALA A 20 7.735 -10.829 -16.427 1.00 0.00 C ATOM 271 O ALA A 20 7.874 -11.856 -17.092 1.00 0.00 O ATOM 272 CB ALA A 20 8.905 -8.803 -17.309 1.00 0.00 C ATOM 0 H ALA A 20 7.144 -8.030 -15.648 1.00 0.00 H new ATOM 0 HA ALA A 20 7.098 -9.648 -18.082 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.557 -9.459 -17.886 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.766 -7.865 -17.846 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.360 -8.602 -16.339 1.00 0.00 H new ATOM 278 N ILE A 21 7.732 -10.822 -15.098 1.00 0.00 N ATOM 279 CA ILE A 21 7.893 -12.049 -14.327 1.00 0.00 C ATOM 280 C ILE A 21 6.648 -12.924 -14.420 1.00 0.00 C ATOM 281 O ILE A 21 6.720 -14.142 -14.263 1.00 0.00 O ATOM 282 CB ILE A 21 8.187 -11.748 -12.846 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.441 -10.881 -12.717 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.349 -13.044 -12.065 1.00 0.00 C ATOM 285 CD1 ILE A 21 9.615 -10.270 -11.344 1.00 0.00 C ATOM 0 H ILE A 21 7.620 -9.980 -14.533 1.00 0.00 H new ATOM 0 HA ILE A 21 8.741 -12.583 -14.756 1.00 0.00 H new ATOM 0 HB ILE A 21 7.344 -11.197 -12.428 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.317 -11.486 -12.950 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.399 -10.083 -13.458 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.556 -12.815 -11.020 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.431 -13.627 -12.134 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.176 -13.619 -12.482 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.524 -9.669 -11.326 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.757 -9.638 -11.116 1.00 0.00 H new ATOM 0 HD13 ILE A 21 9.689 -11.063 -10.600 1.00 0.00 H new ATOM 297 N ASN A 22 5.506 -12.295 -14.678 1.00 0.00 N ATOM 298 CA ASN A 22 4.244 -13.016 -14.794 1.00 0.00 C ATOM 299 C ASN A 22 3.975 -13.413 -16.242 1.00 0.00 C ATOM 300 O ASN A 22 3.276 -14.390 -16.508 1.00 0.00 O ATOM 301 CB ASN A 22 3.092 -12.159 -14.266 1.00 0.00 C ATOM 302 CG ASN A 22 2.903 -12.305 -12.768 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.630 -13.048 -12.108 1.00 0.00 O ATOM 304 ND2 ASN A 22 1.922 -11.594 -12.224 1.00 0.00 N ATOM 0 H ASN A 22 5.429 -11.287 -14.811 1.00 0.00 H new ATOM 0 HA ASN A 22 4.317 -13.924 -14.195 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.282 -11.113 -14.505 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.170 -12.440 -14.775 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.747 -11.651 -11.221 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.344 -10.991 -12.809 1.00 0.00 H new ATOM 311 N GLU A 23 4.536 -12.648 -17.174 1.00 0.00 N ATOM 312 CA GLU A 23 4.356 -12.921 -18.595 1.00 0.00 C ATOM 313 C GLU A 23 5.421 -13.888 -19.103 1.00 0.00 C ATOM 314 O GLU A 23 5.108 -14.973 -19.592 1.00 0.00 O ATOM 315 CB GLU A 23 4.409 -11.619 -19.397 1.00 0.00 C ATOM 316 CG GLU A 23 3.153 -10.773 -19.268 1.00 0.00 C ATOM 317 CD GLU A 23 1.969 -11.371 -20.004 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.191 -12.223 -20.890 1.00 0.00 O ATOM 319 OE2 GLU A 23 0.822 -10.987 -19.694 1.00 0.00 O ATOM 0 H GLU A 23 5.118 -11.835 -16.971 1.00 0.00 H new ATOM 0 HA GLU A 23 3.378 -13.383 -18.729 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.267 -11.033 -19.067 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.571 -11.856 -20.449 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.902 -10.661 -18.213 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.351 -9.774 -19.656 1.00 0.00 H new ATOM 326 N PHE A 24 6.682 -13.486 -18.983 1.00 0.00 N ATOM 327 CA PHE A 24 7.795 -14.315 -19.431 1.00 0.00 C ATOM 328 C PHE A 24 8.011 -15.492 -18.485 1.00 0.00 C ATOM 329 O PHE A 24 8.688 -16.462 -18.829 1.00 0.00 O ATOM 330 CB PHE A 24 9.074 -13.481 -19.527 1.00 0.00 C ATOM 331 CG PHE A 24 9.026 -12.429 -20.597 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.354 -11.236 -20.385 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.651 -12.633 -21.817 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.308 -10.265 -21.368 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.609 -11.666 -22.803 1.00 0.00 C ATOM 336 CZ PHE A 24 8.935 -10.481 -22.579 1.00 0.00 C ATOM 0 H PHE A 24 6.959 -12.591 -18.579 1.00 0.00 H new ATOM 0 HA PHE A 24 7.550 -14.706 -20.419 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.258 -13.002 -18.566 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.917 -14.145 -19.719 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.860 -11.063 -19.440 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.177 -13.559 -21.999 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.782 -9.339 -21.189 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.103 -11.836 -23.748 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.899 -9.725 -23.350 1.00 0.00 H new ATOM 346 N CYS A 25 7.432 -15.400 -17.294 1.00 0.00 N ATOM 347 CA CYS A 25 7.561 -16.456 -16.296 1.00 0.00 C ATOM 348 C CYS A 25 9.028 -16.714 -15.965 1.00 0.00 C ATOM 349 O CYS A 25 9.563 -17.783 -16.258 1.00 0.00 O ATOM 350 CB CYS A 25 6.906 -17.744 -16.799 1.00 0.00 C ATOM 351 SG CYS A 25 5.100 -17.682 -16.848 1.00 0.00 S ATOM 0 H CYS A 25 6.868 -14.604 -16.995 1.00 0.00 H new ATOM 0 HA CYS A 25 7.054 -16.129 -15.388 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.279 -17.962 -17.800 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.213 -18.570 -16.158 1.00 0.00 H new ATOM 0 HG CYS A 25 4.639 -18.815 -17.288 1.00 0.00 H new ATOM 357 N LEU A 26 9.672 -15.726 -15.353 1.00 0.00 N ATOM 358 CA LEU A 26 11.078 -15.844 -14.983 1.00 0.00 C ATOM 359 C LEU A 26 11.242 -15.862 -13.466 1.00 0.00 C ATOM 360 O LEU A 26 10.260 -15.912 -12.725 1.00 0.00 O ATOM 361 CB LEU A 26 11.883 -14.688 -15.580 1.00 0.00 C ATOM 362 CG LEU A 26 11.644 -14.400 -17.063 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.043 -12.972 -17.400 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.411 -15.389 -17.928 1.00 0.00 C ATOM 0 H LEU A 26 9.243 -14.835 -15.103 1.00 0.00 H new ATOM 0 HA LEU A 26 11.455 -16.785 -15.383 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.658 -13.784 -15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.943 -14.898 -15.437 1.00 0.00 H new ATOM 0 HG LEU A 26 10.580 -14.516 -17.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.866 -12.785 -18.459 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.449 -12.278 -16.805 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.100 -12.828 -17.178 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.229 -15.169 -18.980 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.477 -15.305 -17.719 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.076 -16.402 -17.706 1.00 0.00 H new ATOM 376 N LYS A 27 12.489 -15.820 -13.010 1.00 0.00 N ATOM 377 CA LYS A 27 12.783 -15.828 -11.582 1.00 0.00 C ATOM 378 C LYS A 27 12.708 -14.419 -11.004 1.00 0.00 C ATOM 379 O LYS A 27 12.692 -13.434 -11.742 1.00 0.00 O ATOM 380 CB LYS A 27 14.171 -16.421 -11.330 1.00 0.00 C ATOM 381 CG LYS A 27 14.353 -17.813 -11.911 1.00 0.00 C ATOM 382 CD LYS A 27 13.496 -18.837 -11.184 1.00 0.00 C ATOM 383 CE LYS A 27 13.185 -20.033 -12.071 1.00 0.00 C ATOM 384 NZ LYS A 27 12.260 -19.674 -13.182 1.00 0.00 N ATOM 0 H LYS A 27 13.313 -15.780 -13.609 1.00 0.00 H new ATOM 0 HA LYS A 27 12.035 -16.446 -11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.923 -15.757 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.351 -16.458 -10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.092 -17.804 -12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.402 -18.102 -11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.013 -19.174 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.565 -18.371 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.112 -20.430 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.740 -20.825 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.783 -20.531 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.549 -18.997 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.801 -19.242 -13.958 1.00 0.00 H new ATOM 398 N SER A 28 12.664 -14.330 -9.678 1.00 0.00 N ATOM 399 CA SER A 28 12.589 -13.041 -9.001 1.00 0.00 C ATOM 400 C SER A 28 13.946 -12.344 -9.006 1.00 0.00 C ATOM 401 O SER A 28 14.025 -11.115 -9.025 1.00 0.00 O ATOM 402 CB SER A 28 12.104 -13.225 -7.561 1.00 0.00 C ATOM 403 OG SER A 28 11.010 -12.369 -7.278 1.00 0.00 O ATOM 0 H SER A 28 12.679 -15.135 -9.052 1.00 0.00 H new ATOM 0 HA SER A 28 11.877 -12.417 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.809 -14.262 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.921 -13.017 -6.870 1.00 0.00 H new ATOM 0 HG SER A 28 10.718 -12.507 -6.353 1.00 0.00 H new ATOM 409 N SER A 29 15.012 -13.137 -8.991 1.00 0.00 N ATOM 410 CA SER A 29 16.367 -12.598 -8.991 1.00 0.00 C ATOM 411 C SER A 29 16.826 -12.284 -10.411 1.00 0.00 C ATOM 412 O SER A 29 17.663 -11.406 -10.625 1.00 0.00 O ATOM 413 CB SER A 29 17.332 -13.588 -8.337 1.00 0.00 C ATOM 414 OG SER A 29 17.311 -13.465 -6.925 1.00 0.00 O ATOM 0 H SER A 29 14.964 -14.156 -8.979 1.00 0.00 H new ATOM 0 HA SER A 29 16.364 -11.672 -8.416 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.062 -14.605 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.343 -13.412 -8.705 1.00 0.00 H new ATOM 0 HG SER A 29 17.935 -14.110 -6.531 1.00 0.00 H new ATOM 420 N ASP A 30 16.274 -13.007 -11.379 1.00 0.00 N ATOM 421 CA ASP A 30 16.625 -12.806 -12.779 1.00 0.00 C ATOM 422 C ASP A 30 16.440 -11.346 -13.182 1.00 0.00 C ATOM 423 O ASP A 30 17.380 -10.692 -13.636 1.00 0.00 O ATOM 424 CB ASP A 30 15.774 -13.707 -13.675 1.00 0.00 C ATOM 425 CG ASP A 30 16.312 -15.123 -13.751 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.334 -15.404 -13.091 1.00 0.00 O ATOM 427 OD2 ASP A 30 15.711 -15.949 -14.470 1.00 0.00 O ATOM 0 H ASP A 30 15.581 -13.738 -11.219 1.00 0.00 H new ATOM 0 HA ASP A 30 17.675 -13.069 -12.906 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.752 -13.730 -13.297 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.733 -13.283 -14.678 1.00 0.00 H new ATOM 432 N LEU A 31 15.222 -10.842 -13.015 1.00 0.00 N ATOM 433 CA LEU A 31 14.912 -9.459 -13.362 1.00 0.00 C ATOM 434 C LEU A 31 15.900 -8.499 -12.706 1.00 0.00 C ATOM 435 O LEU A 31 16.425 -7.596 -13.356 1.00 0.00 O ATOM 436 CB LEU A 31 13.486 -9.113 -12.933 1.00 0.00 C ATOM 437 CG LEU A 31 12.382 -9.458 -13.934 1.00 0.00 C ATOM 438 CD1 LEU A 31 12.486 -8.577 -15.169 1.00 0.00 C ATOM 439 CD2 LEU A 31 12.452 -10.929 -14.318 1.00 0.00 C ATOM 0 H LEU A 31 14.433 -11.370 -12.642 1.00 0.00 H new ATOM 0 HA LEU A 31 14.995 -9.354 -14.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.274 -9.629 -11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.440 -8.044 -12.725 1.00 0.00 H new ATOM 0 HG LEU A 31 11.418 -9.272 -13.461 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.692 -8.837 -15.869 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.386 -7.531 -14.879 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.455 -8.730 -15.645 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.659 -11.157 -15.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.420 -11.141 -14.772 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.327 -11.544 -13.427 1.00 0.00 H new ATOM 451 N GLU A 32 16.148 -8.703 -11.416 1.00 0.00 N ATOM 452 CA GLU A 32 17.074 -7.856 -10.674 1.00 0.00 C ATOM 453 C GLU A 32 18.438 -7.812 -11.356 1.00 0.00 C ATOM 454 O GLU A 32 19.137 -6.801 -11.303 1.00 0.00 O ATOM 455 CB GLU A 32 17.226 -8.363 -9.238 1.00 0.00 C ATOM 456 CG GLU A 32 15.947 -8.273 -8.423 1.00 0.00 C ATOM 457 CD GLU A 32 16.167 -7.640 -7.062 1.00 0.00 C ATOM 458 OE1 GLU A 32 16.735 -8.314 -6.178 1.00 0.00 O ATOM 459 OE2 GLU A 32 15.770 -6.470 -6.882 1.00 0.00 O ATOM 0 H GLU A 32 15.721 -9.447 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 32 16.664 -6.846 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.560 -9.400 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 32 18.006 -7.788 -8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.209 -7.692 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.533 -9.273 -8.292 1.00 0.00 H new ATOM 466 N GLN A 33 18.809 -8.916 -11.996 1.00 0.00 N ATOM 467 CA GLN A 33 20.090 -9.005 -12.688 1.00 0.00 C ATOM 468 C GLN A 33 20.152 -8.015 -13.846 1.00 0.00 C ATOM 469 O GLN A 33 21.223 -7.515 -14.193 1.00 0.00 O ATOM 470 CB GLN A 33 20.318 -10.426 -13.204 1.00 0.00 C ATOM 471 CG GLN A 33 21.738 -10.679 -13.682 1.00 0.00 C ATOM 472 CD GLN A 33 22.617 -11.286 -12.606 1.00 0.00 C ATOM 473 OE1 GLN A 33 22.727 -12.507 -12.493 1.00 0.00 O ATOM 474 NE2 GLN A 33 23.250 -10.434 -11.808 1.00 0.00 N ATOM 0 H GLN A 33 18.241 -9.761 -12.050 1.00 0.00 H new ATOM 0 HA GLN A 33 20.877 -8.755 -11.976 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.079 -11.134 -12.411 1.00 0.00 H new ATOM 0 HB3 GLN A 33 19.627 -10.621 -14.024 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.714 -11.345 -14.544 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.177 -9.739 -14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.130 -9.429 -11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.856 -10.784 -11.066 1.00 0.00 H new ATOM 483 N LEU A 34 18.998 -7.735 -14.442 1.00 0.00 N ATOM 484 CA LEU A 34 18.920 -6.805 -15.563 1.00 0.00 C ATOM 485 C LEU A 34 19.069 -5.364 -15.085 1.00 0.00 C ATOM 486 O LEU A 34 19.039 -5.091 -13.885 1.00 0.00 O ATOM 487 CB LEU A 34 17.592 -6.975 -16.302 1.00 0.00 C ATOM 488 CG LEU A 34 17.304 -8.372 -16.852 1.00 0.00 C ATOM 489 CD1 LEU A 34 15.832 -8.514 -17.206 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.177 -8.658 -18.065 1.00 0.00 C ATOM 0 H LEU A 34 18.103 -8.139 -14.167 1.00 0.00 H new ATOM 0 HA LEU A 34 19.739 -7.029 -16.247 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.784 -6.700 -15.624 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.567 -6.268 -17.131 1.00 0.00 H new ATOM 0 HG LEU A 34 17.542 -9.102 -16.078 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.646 -9.515 -17.596 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.226 -8.354 -16.314 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.567 -7.775 -17.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.958 -9.657 -18.443 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.972 -7.922 -18.843 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.227 -8.600 -17.779 1.00 0.00 H new ATOM 502 N ARG A 35 19.226 -4.445 -16.032 1.00 0.00 N ATOM 503 CA ARG A 35 19.378 -3.032 -15.708 1.00 0.00 C ATOM 504 C ARG A 35 18.166 -2.517 -14.938 1.00 0.00 C ATOM 505 O ARG A 35 17.036 -2.578 -15.423 1.00 0.00 O ATOM 506 CB ARG A 35 19.569 -2.212 -16.986 1.00 0.00 C ATOM 507 CG ARG A 35 20.383 -0.945 -16.780 1.00 0.00 C ATOM 508 CD ARG A 35 20.472 -0.125 -18.058 1.00 0.00 C ATOM 509 NE ARG A 35 19.852 1.188 -17.910 1.00 0.00 N ATOM 510 CZ ARG A 35 19.771 2.078 -18.893 1.00 0.00 C ATOM 511 NH1 ARG A 35 20.268 1.795 -20.090 1.00 0.00 N ATOM 512 NH2 ARG A 35 19.191 3.252 -18.681 1.00 0.00 N ATOM 0 H ARG A 35 19.251 -4.654 -17.030 1.00 0.00 H new ATOM 0 HA ARG A 35 20.261 -2.923 -15.078 1.00 0.00 H new ATOM 0 HB2 ARG A 35 20.061 -2.832 -17.735 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.591 -1.945 -17.386 1.00 0.00 H new ATOM 0 HG2 ARG A 35 19.929 -0.344 -15.992 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.386 -1.207 -16.444 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.518 -0.002 -18.338 1.00 0.00 H new ATOM 0 HD3 ARG A 35 19.986 -0.666 -18.870 1.00 0.00 H new ATOM 0 HE ARG A 35 19.459 1.436 -17.002 1.00 0.00 H new ATOM 0 HH11 ARG A 35 20.713 0.893 -20.257 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.205 2.480 -20.843 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.807 3.472 -17.762 1.00 0.00 H new ATOM 0 HH22 ARG A 35 19.130 3.934 -19.437 1.00 0.00 H new ATOM 526 N LYS A 36 18.408 -2.012 -13.733 1.00 0.00 N ATOM 527 CA LYS A 36 17.337 -1.486 -12.894 1.00 0.00 C ATOM 528 C LYS A 36 17.237 0.030 -13.027 1.00 0.00 C ATOM 529 O LYS A 36 18.067 0.766 -12.492 1.00 0.00 O ATOM 530 CB LYS A 36 17.575 -1.866 -11.431 1.00 0.00 C ATOM 531 CG LYS A 36 17.489 -3.359 -11.169 1.00 0.00 C ATOM 532 CD LYS A 36 16.447 -3.681 -10.110 1.00 0.00 C ATOM 533 CE LYS A 36 16.816 -3.076 -8.764 1.00 0.00 C ATOM 534 NZ LYS A 36 15.913 -3.547 -7.678 1.00 0.00 N ATOM 0 H LYS A 36 19.337 -1.956 -13.315 1.00 0.00 H new ATOM 0 HA LYS A 36 16.397 -1.925 -13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 36 18.559 -1.508 -11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.843 -1.353 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.240 -3.878 -12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.462 -3.729 -10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.475 -3.302 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.350 -4.762 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.846 -3.337 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.769 -1.989 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.154 -3.061 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.926 -3.337 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.027 -4.573 -7.552 1.00 0.00 H new ATOM 782 N VAL A 51 11.349 -0.598 -13.183 1.00 0.00 N ATOM 783 CA VAL A 51 10.948 -1.022 -14.519 1.00 0.00 C ATOM 784 C VAL A 51 12.131 -1.590 -15.294 1.00 0.00 C ATOM 785 O VAL A 51 13.288 -1.340 -14.953 1.00 0.00 O ATOM 786 CB VAL A 51 10.337 0.145 -15.318 1.00 0.00 C ATOM 787 CG1 VAL A 51 8.959 0.498 -14.779 1.00 0.00 C ATOM 788 CG2 VAL A 51 11.258 1.354 -15.283 1.00 0.00 C ATOM 0 HA VAL A 51 10.195 -1.799 -14.392 1.00 0.00 H new ATOM 0 HB VAL A 51 10.225 -0.168 -16.356 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.543 1.324 -15.356 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.303 -0.369 -14.862 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.042 0.792 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.811 2.169 -15.852 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.404 1.670 -14.250 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.221 1.091 -15.721 1.00 0.00 H new ATOM 798 N TYR A 52 11.835 -2.354 -16.339 1.00 0.00 N ATOM 799 CA TYR A 52 12.875 -2.960 -17.162 1.00 0.00 C ATOM 800 C TYR A 52 12.586 -2.752 -18.646 1.00 0.00 C ATOM 801 O TYR A 52 11.565 -2.169 -19.016 1.00 0.00 O ATOM 802 CB TYR A 52 12.990 -4.455 -16.859 1.00 0.00 C ATOM 803 CG TYR A 52 13.175 -4.761 -15.390 1.00 0.00 C ATOM 804 CD1 TYR A 52 14.341 -4.398 -14.726 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.186 -5.415 -14.666 1.00 0.00 C ATOM 806 CE1 TYR A 52 14.516 -4.677 -13.384 1.00 0.00 C ATOM 807 CE2 TYR A 52 12.351 -5.696 -13.323 1.00 0.00 C ATOM 808 CZ TYR A 52 13.518 -5.326 -12.687 1.00 0.00 C ATOM 809 OH TYR A 52 13.687 -5.606 -11.351 1.00 0.00 O ATOM 0 H TYR A 52 10.883 -2.569 -16.637 1.00 0.00 H new ATOM 0 HA TYR A 52 13.821 -2.474 -16.922 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.093 -4.960 -17.217 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.831 -4.867 -17.416 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.124 -3.889 -15.269 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.272 -5.709 -15.161 1.00 0.00 H new ATOM 0 HE1 TYR A 52 15.429 -4.389 -12.884 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.571 -6.202 -12.774 1.00 0.00 H new ATOM 0 HH TYR A 52 12.891 -6.065 -11.010 1.00 0.00 H new ATOM 819 N LEU A 53 13.490 -3.233 -19.491 1.00 0.00 N ATOM 820 CA LEU A 53 13.334 -3.101 -20.936 1.00 0.00 C ATOM 821 C LEU A 53 12.789 -4.389 -21.544 1.00 0.00 C ATOM 822 O LEU A 53 13.264 -5.482 -21.236 1.00 0.00 O ATOM 823 CB LEU A 53 14.673 -2.745 -21.583 1.00 0.00 C ATOM 824 CG LEU A 53 14.767 -1.352 -22.208 1.00 0.00 C ATOM 825 CD1 LEU A 53 15.743 -0.483 -21.430 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.184 -1.450 -23.668 1.00 0.00 C ATOM 0 H LEU A 53 14.339 -3.718 -19.201 1.00 0.00 H new ATOM 0 HA LEU A 53 12.621 -2.300 -21.128 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.454 -2.836 -20.828 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.888 -3.483 -22.355 1.00 0.00 H new ATOM 0 HG LEU A 53 13.782 -0.887 -22.163 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.797 0.504 -21.889 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.402 -0.386 -20.399 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.731 -0.944 -21.443 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.246 -0.450 -24.097 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.158 -1.935 -23.737 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.448 -2.036 -24.218 1.00 0.00 H new ATOM 838 N ARG A 54 11.790 -4.252 -22.410 1.00 0.00 N ATOM 839 CA ARG A 54 11.181 -5.405 -23.063 1.00 0.00 C ATOM 840 C ARG A 54 12.218 -6.187 -23.864 1.00 0.00 C ATOM 841 O ARG A 54 12.111 -7.404 -24.015 1.00 0.00 O ATOM 842 CB ARG A 54 10.044 -4.956 -23.982 1.00 0.00 C ATOM 843 CG ARG A 54 9.006 -4.089 -23.288 1.00 0.00 C ATOM 844 CD ARG A 54 7.762 -3.916 -24.144 1.00 0.00 C ATOM 845 NE ARG A 54 8.071 -3.337 -25.449 1.00 0.00 N ATOM 846 CZ ARG A 54 7.156 -3.090 -26.380 1.00 0.00 C ATOM 847 NH1 ARG A 54 5.881 -3.370 -26.150 1.00 0.00 N ATOM 848 NH2 ARG A 54 7.516 -2.562 -27.542 1.00 0.00 N ATOM 0 H ARG A 54 11.385 -3.354 -22.676 1.00 0.00 H new ATOM 0 HA ARG A 54 10.777 -6.058 -22.289 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.464 -4.403 -24.822 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.552 -5.837 -24.394 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.733 -4.540 -22.334 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.436 -3.112 -23.067 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.280 -4.884 -24.282 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.050 -3.276 -23.623 1.00 0.00 H new ATOM 0 HE ARG A 54 9.043 -3.110 -25.657 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.601 -3.776 -25.257 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.180 -3.180 -26.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.496 -2.345 -27.722 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.813 -2.373 -28.256 1.00 0.00 H new ATOM 862 N SER A 55 13.220 -5.479 -24.375 1.00 0.00 N ATOM 863 CA SER A 55 14.274 -6.106 -25.164 1.00 0.00 C ATOM 864 C SER A 55 15.171 -6.971 -24.283 1.00 0.00 C ATOM 865 O SER A 55 15.652 -8.021 -24.710 1.00 0.00 O ATOM 866 CB SER A 55 15.112 -5.040 -25.873 1.00 0.00 C ATOM 867 OG SER A 55 14.614 -4.783 -27.175 1.00 0.00 O ATOM 0 H SER A 55 13.324 -4.471 -24.257 1.00 0.00 H new ATOM 0 HA SER A 55 13.803 -6.745 -25.911 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.105 -4.120 -25.289 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.149 -5.370 -25.935 1.00 0.00 H new ATOM 0 HG SER A 55 15.165 -4.097 -27.607 1.00 0.00 H new ATOM 873 N ASP A 56 15.391 -6.522 -23.053 1.00 0.00 N ATOM 874 CA ASP A 56 16.229 -7.254 -22.110 1.00 0.00 C ATOM 875 C ASP A 56 15.529 -8.522 -21.632 1.00 0.00 C ATOM 876 O ASP A 56 16.080 -9.619 -21.721 1.00 0.00 O ATOM 877 CB ASP A 56 16.581 -6.369 -20.913 1.00 0.00 C ATOM 878 CG ASP A 56 17.549 -5.260 -21.278 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.297 -5.427 -22.263 1.00 0.00 O ATOM 880 OD2 ASP A 56 17.558 -4.226 -20.577 1.00 0.00 O ATOM 0 H ASP A 56 15.001 -5.654 -22.685 1.00 0.00 H new ATOM 0 HA ASP A 56 17.147 -7.539 -22.624 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.669 -5.932 -20.507 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.017 -6.984 -20.126 1.00 0.00 H new ATOM 885 N VAL A 57 14.311 -8.364 -21.123 1.00 0.00 N ATOM 886 CA VAL A 57 13.535 -9.496 -20.631 1.00 0.00 C ATOM 887 C VAL A 57 13.368 -10.559 -21.711 1.00 0.00 C ATOM 888 O VAL A 57 13.355 -11.754 -21.422 1.00 0.00 O ATOM 889 CB VAL A 57 12.144 -9.052 -20.142 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.405 -10.219 -19.503 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.267 -7.891 -19.168 1.00 0.00 C ATOM 0 H VAL A 57 13.841 -7.463 -21.041 1.00 0.00 H new ATOM 0 HA VAL A 57 14.088 -9.919 -19.793 1.00 0.00 H new ATOM 0 HB VAL A 57 11.566 -8.714 -21.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.424 -9.886 -19.163 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.284 -11.018 -20.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.977 -10.590 -18.652 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.274 -7.590 -18.833 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.862 -8.199 -18.308 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.753 -7.050 -19.663 1.00 0.00 H new ATOM 901 N GLU A 58 13.240 -10.113 -22.957 1.00 0.00 N ATOM 902 CA GLU A 58 13.072 -11.027 -24.081 1.00 0.00 C ATOM 903 C GLU A 58 14.168 -12.090 -24.086 1.00 0.00 C ATOM 904 O GLU A 58 13.888 -13.284 -23.989 1.00 0.00 O ATOM 905 CB GLU A 58 13.090 -10.255 -25.402 1.00 0.00 C ATOM 906 CG GLU A 58 12.585 -11.063 -26.586 1.00 0.00 C ATOM 907 CD GLU A 58 12.126 -10.188 -27.736 1.00 0.00 C ATOM 908 OE1 GLU A 58 10.952 -9.762 -27.726 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.941 -9.929 -28.646 1.00 0.00 O ATOM 0 H GLU A 58 13.249 -9.126 -23.213 1.00 0.00 H new ATOM 0 HA GLU A 58 12.108 -11.523 -23.972 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.479 -9.358 -25.298 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.108 -9.925 -25.606 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.377 -11.726 -26.933 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.758 -11.696 -26.263 1.00 0.00 H new ATOM 916 N ALA A 59 15.415 -11.645 -24.200 1.00 0.00 N ATOM 917 CA ALA A 59 16.552 -12.556 -24.216 1.00 0.00 C ATOM 918 C ALA A 59 16.646 -13.340 -22.911 1.00 0.00 C ATOM 919 O ALA A 59 17.003 -14.519 -22.907 1.00 0.00 O ATOM 920 CB ALA A 59 17.841 -11.787 -24.465 1.00 0.00 C ATOM 0 H ALA A 59 15.663 -10.659 -24.283 1.00 0.00 H new ATOM 0 HA ALA A 59 16.404 -13.268 -25.028 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.682 -12.480 -24.474 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.780 -11.277 -25.426 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.985 -11.052 -23.673 1.00 0.00 H new ATOM 926 N LYS A 60 16.325 -12.679 -21.804 1.00 0.00 N ATOM 927 CA LYS A 60 16.372 -13.314 -20.493 1.00 0.00 C ATOM 928 C LYS A 60 15.498 -14.563 -20.461 1.00 0.00 C ATOM 929 O LYS A 60 15.746 -15.487 -19.686 1.00 0.00 O ATOM 930 CB LYS A 60 15.915 -12.331 -19.411 1.00 0.00 C ATOM 931 CG LYS A 60 15.917 -12.923 -18.012 1.00 0.00 C ATOM 932 CD LYS A 60 17.311 -13.358 -17.593 1.00 0.00 C ATOM 933 CE LYS A 60 18.253 -12.170 -17.473 1.00 0.00 C ATOM 934 NZ LYS A 60 19.034 -12.207 -16.206 1.00 0.00 N ATOM 0 H LYS A 60 16.029 -11.703 -21.789 1.00 0.00 H new ATOM 0 HA LYS A 60 17.403 -13.609 -20.297 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.566 -11.457 -19.428 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.909 -11.984 -19.648 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.536 -12.187 -17.304 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.242 -13.778 -17.977 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.259 -13.880 -16.638 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.707 -14.066 -18.322 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.937 -12.162 -18.321 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.678 -11.245 -17.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.920 -11.676 -16.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.475 -11.777 -15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.253 -13.194 -15.962 1.00 0.00 H new ATOM 948 N SER A 61 14.474 -14.585 -21.308 1.00 0.00 N ATOM 949 CA SER A 61 13.562 -15.721 -21.375 1.00 0.00 C ATOM 950 C SER A 61 14.134 -16.827 -22.257 1.00 0.00 C ATOM 951 O SER A 61 13.812 -18.003 -22.086 1.00 0.00 O ATOM 952 CB SER A 61 12.200 -15.277 -21.913 1.00 0.00 C ATOM 953 OG SER A 61 11.652 -16.254 -22.781 1.00 0.00 O ATOM 0 H SER A 61 14.255 -13.829 -21.957 1.00 0.00 H new ATOM 0 HA SER A 61 13.436 -16.114 -20.366 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.517 -15.100 -21.082 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.306 -14.332 -22.445 1.00 0.00 H new ATOM 0 HG SER A 61 10.968 -15.841 -23.348 1.00 0.00 H new ATOM 959 N LEU A 62 14.985 -16.440 -23.201 1.00 0.00 N ATOM 960 CA LEU A 62 15.604 -17.398 -24.111 1.00 0.00 C ATOM 961 C LEU A 62 16.799 -18.080 -23.453 1.00 0.00 C ATOM 962 O LEU A 62 17.073 -19.253 -23.707 1.00 0.00 O ATOM 963 CB LEU A 62 16.046 -16.697 -25.397 1.00 0.00 C ATOM 964 CG LEU A 62 15.038 -15.728 -26.014 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.558 -15.185 -27.336 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.692 -16.411 -26.209 1.00 0.00 C ATOM 0 H LEU A 62 15.262 -15.471 -23.356 1.00 0.00 H new ATOM 0 HA LEU A 62 14.864 -18.160 -24.356 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.966 -16.150 -25.191 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.287 -17.459 -26.138 1.00 0.00 H new ATOM 0 HG LEU A 62 14.903 -14.891 -25.329 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.826 -14.497 -27.760 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.497 -14.658 -27.169 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.724 -16.010 -28.028 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.987 -15.706 -26.649 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.811 -17.267 -26.873 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.313 -16.749 -25.245 1.00 0.00 H new ATOM 978 N GLU A 63 17.506 -17.338 -22.606 1.00 0.00 N ATOM 979 CA GLU A 63 18.671 -17.873 -21.911 1.00 0.00 C ATOM 980 C GLU A 63 18.249 -18.826 -20.796 1.00 0.00 C ATOM 981 O GLU A 63 19.007 -19.713 -20.402 1.00 0.00 O ATOM 982 CB GLU A 63 19.514 -16.736 -21.333 1.00 0.00 C ATOM 983 CG GLU A 63 18.899 -16.085 -20.105 1.00 0.00 C ATOM 984 CD GLU A 63 19.552 -16.540 -18.814 1.00 0.00 C ATOM 985 OE1 GLU A 63 20.007 -17.702 -18.758 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.608 -15.736 -17.861 1.00 0.00 O ATOM 0 H GLU A 63 17.292 -16.365 -22.385 1.00 0.00 H new ATOM 0 HA GLU A 63 19.270 -18.428 -22.633 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.500 -17.122 -21.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.660 -15.977 -22.101 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.987 -15.002 -20.190 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.834 -16.317 -20.070 1.00 0.00 H new ATOM 993 N VAL A 64 17.034 -18.636 -20.292 1.00 0.00 N ATOM 994 CA VAL A 64 16.510 -19.478 -19.223 1.00 0.00 C ATOM 995 C VAL A 64 15.767 -20.684 -19.787 1.00 0.00 C ATOM 996 O VAL A 64 16.258 -21.811 -19.731 1.00 0.00 O ATOM 997 CB VAL A 64 15.561 -18.689 -18.301 1.00 0.00 C ATOM 998 CG1 VAL A 64 14.982 -19.598 -17.227 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.286 -17.507 -17.677 1.00 0.00 C ATOM 0 H VAL A 64 16.394 -17.907 -20.607 1.00 0.00 H new ATOM 0 HA VAL A 64 17.366 -19.822 -18.642 1.00 0.00 H new ATOM 0 HB VAL A 64 14.736 -18.304 -18.901 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.314 -19.023 -16.585 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.425 -20.408 -17.698 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.792 -20.015 -16.628 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.601 -16.961 -17.029 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.131 -17.867 -17.090 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.647 -16.845 -18.464 1.00 0.00 H new ATOM 1009 N TRP A 65 14.580 -20.439 -20.331 1.00 0.00 N ATOM 1010 CA TRP A 65 13.768 -21.505 -20.907 1.00 0.00 C ATOM 1011 C TRP A 65 14.502 -22.187 -22.057 1.00 0.00 C ATOM 1012 O TRP A 65 14.248 -23.351 -22.363 1.00 0.00 O ATOM 1013 CB TRP A 65 12.431 -20.948 -21.397 1.00 0.00 C ATOM 1014 CG TRP A 65 11.421 -20.778 -20.303 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.167 -19.640 -19.591 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.532 -21.778 -19.795 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.174 -19.873 -18.671 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.766 -21.177 -18.777 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.306 -23.123 -20.102 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.794 -21.876 -18.065 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.341 -23.815 -19.395 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.594 -23.190 -18.387 1.00 0.00 C ATOM 0 H TRP A 65 14.159 -19.512 -20.385 1.00 0.00 H new ATOM 0 HA TRP A 65 13.581 -22.246 -20.130 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.601 -19.984 -21.877 1.00 0.00 H new ATOM 0 HB3 TRP A 65 12.024 -21.615 -22.157 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.673 -18.696 -19.731 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.801 -19.187 -18.015 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.876 -23.613 -20.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.219 -21.397 -17.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.159 -24.855 -19.623 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.846 -23.757 -17.854 1.00 0.00 H new ATOM 1033 N GLY A 66 15.412 -21.454 -22.690 1.00 0.00 N ATOM 1034 CA GLY A 66 16.168 -22.005 -23.800 1.00 0.00 C ATOM 1035 C GLY A 66 15.760 -21.410 -25.132 1.00 0.00 C ATOM 1036 O GLY A 66 16.606 -21.139 -25.984 1.00 0.00 O ATOM 0 H GLY A 66 15.640 -20.488 -22.454 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.231 -21.826 -23.636 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.028 -23.086 -23.830 1.00 0.00 H new ATOM 1040 N SER A 67 14.459 -21.207 -25.314 1.00 0.00 N ATOM 1041 CA SER A 67 13.939 -20.645 -26.556 1.00 0.00 C ATOM 1042 C SER A 67 12.593 -19.966 -26.323 1.00 0.00 C ATOM 1043 O SER A 67 11.904 -20.219 -25.335 1.00 0.00 O ATOM 1044 CB SER A 67 13.795 -21.740 -27.615 1.00 0.00 C ATOM 1045 OG SER A 67 13.912 -23.028 -27.036 1.00 0.00 O ATOM 0 H SER A 67 13.746 -21.423 -24.618 1.00 0.00 H new ATOM 0 HA SER A 67 14.647 -19.896 -26.912 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.828 -21.647 -28.110 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.559 -21.612 -28.382 1.00 0.00 H new ATOM 0 HG SER A 67 13.815 -23.710 -27.733 1.00 0.00 H new ATOM 1051 N PRO A 68 12.208 -19.082 -27.255 1.00 0.00 N ATOM 1052 CA PRO A 68 10.941 -18.349 -27.175 1.00 0.00 C ATOM 1053 C PRO A 68 9.733 -19.253 -27.393 1.00 0.00 C ATOM 1054 O PRO A 68 8.609 -18.897 -27.040 1.00 0.00 O ATOM 1055 CB PRO A 68 11.053 -17.324 -28.307 1.00 0.00 C ATOM 1056 CG PRO A 68 12.002 -17.935 -29.279 1.00 0.00 C ATOM 1057 CD PRO A 68 12.979 -18.731 -28.460 1.00 0.00 C ATOM 0 HA PRO A 68 10.789 -17.904 -26.192 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.083 -17.134 -28.767 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.424 -16.367 -27.939 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.476 -18.574 -29.989 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.514 -17.168 -29.860 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.319 -19.619 -28.992 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.866 -18.147 -28.214 1.00 0.00 H new ATOM 1065 N GLU A 69 9.972 -20.423 -27.976 1.00 0.00 N ATOM 1066 CA GLU A 69 8.902 -21.377 -28.241 1.00 0.00 C ATOM 1067 C GLU A 69 8.457 -22.066 -26.954 1.00 0.00 C ATOM 1068 O GLU A 69 7.282 -22.391 -26.786 1.00 0.00 O ATOM 1069 CB GLU A 69 9.361 -22.423 -29.260 1.00 0.00 C ATOM 1070 CG GLU A 69 9.030 -22.058 -30.697 1.00 0.00 C ATOM 1071 CD GLU A 69 7.571 -22.291 -31.038 1.00 0.00 C ATOM 1072 OE1 GLU A 69 6.761 -22.445 -30.100 1.00 0.00 O ATOM 1073 OE2 GLU A 69 7.240 -22.321 -32.241 1.00 0.00 O ATOM 0 H GLU A 69 10.897 -20.733 -28.274 1.00 0.00 H new ATOM 0 HA GLU A 69 8.054 -20.828 -28.651 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.438 -22.560 -29.168 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.897 -23.380 -29.021 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.276 -21.010 -30.867 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.655 -22.645 -31.370 1.00 0.00 H new ATOM 1080 N ALA A 70 9.405 -22.286 -26.049 1.00 0.00 N ATOM 1081 CA ALA A 70 9.112 -22.935 -24.778 1.00 0.00 C ATOM 1082 C ALA A 70 8.200 -22.068 -23.916 1.00 0.00 C ATOM 1083 O ALA A 70 7.269 -22.566 -23.283 1.00 0.00 O ATOM 1084 CB ALA A 70 10.402 -23.248 -24.035 1.00 0.00 C ATOM 0 H ALA A 70 10.383 -22.024 -26.173 1.00 0.00 H new ATOM 0 HA ALA A 70 8.591 -23.869 -24.987 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.168 -23.733 -23.087 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.018 -23.913 -24.640 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.946 -22.323 -23.845 1.00 0.00 H new ATOM 1090 N LEU A 71 8.475 -20.768 -23.896 1.00 0.00 N ATOM 1091 CA LEU A 71 7.680 -19.830 -23.111 1.00 0.00 C ATOM 1092 C LEU A 71 6.308 -19.619 -23.742 1.00 0.00 C ATOM 1093 O LEU A 71 5.299 -19.529 -23.042 1.00 0.00 O ATOM 1094 CB LEU A 71 8.409 -18.491 -22.987 1.00 0.00 C ATOM 1095 CG LEU A 71 7.571 -17.314 -22.487 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.101 -17.562 -21.061 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.366 -16.019 -22.571 1.00 0.00 C ATOM 0 H LEU A 71 9.242 -20.340 -24.414 1.00 0.00 H new ATOM 0 HA LEU A 71 7.541 -20.253 -22.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.255 -18.622 -22.312 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.818 -18.231 -23.963 1.00 0.00 H new ATOM 0 HG LEU A 71 6.693 -17.220 -23.126 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.506 -16.714 -20.721 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.494 -18.467 -21.030 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.966 -17.683 -20.409 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.754 -15.192 -22.211 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.262 -16.102 -21.956 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.652 -15.834 -23.606 1.00 0.00 H new ATOM 1109 N ALA A 72 6.278 -19.541 -25.068 1.00 0.00 N ATOM 1110 CA ALA A 72 5.029 -19.345 -25.794 1.00 0.00 C ATOM 1111 C ALA A 72 3.999 -20.401 -25.410 1.00 0.00 C ATOM 1112 O ALA A 72 2.797 -20.135 -25.398 1.00 0.00 O ATOM 1113 CB ALA A 72 5.281 -19.371 -27.294 1.00 0.00 C ATOM 0 H ALA A 72 7.104 -19.611 -25.662 1.00 0.00 H new ATOM 0 HA ALA A 72 4.628 -18.369 -25.521 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.340 -19.223 -27.824 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.976 -18.574 -27.560 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.708 -20.334 -27.575 1.00 0.00 H new ATOM 1119 N ARG A 73 4.477 -21.602 -25.098 1.00 0.00 N ATOM 1120 CA ARG A 73 3.596 -22.699 -24.715 1.00 0.00 C ATOM 1121 C ARG A 73 2.752 -22.321 -23.502 1.00 0.00 C ATOM 1122 O ARG A 73 1.607 -22.753 -23.372 1.00 0.00 O ATOM 1123 CB ARG A 73 4.415 -23.955 -24.409 1.00 0.00 C ATOM 1124 CG ARG A 73 5.350 -24.362 -25.537 1.00 0.00 C ATOM 1125 CD ARG A 73 4.902 -25.660 -26.189 1.00 0.00 C ATOM 1126 NE ARG A 73 5.071 -25.630 -27.640 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.920 -26.695 -28.419 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.600 -27.868 -27.891 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.090 -26.588 -29.731 1.00 0.00 N ATOM 0 H ARG A 73 5.469 -21.840 -25.103 1.00 0.00 H new ATOM 0 HA ARG A 73 2.927 -22.904 -25.551 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.001 -23.785 -23.506 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.734 -24.780 -24.197 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.385 -23.571 -26.286 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.362 -24.479 -25.149 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.474 -26.490 -25.774 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.855 -25.843 -25.950 1.00 0.00 H new ATOM 0 HE ARG A 73 5.318 -24.743 -28.078 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.469 -27.955 -26.883 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.485 -28.684 -28.493 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.337 -25.687 -30.142 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.974 -27.406 -30.329 1.00 0.00 H new ATOM 1143 N GLU A 74 3.326 -21.513 -22.616 1.00 0.00 N ATOM 1144 CA GLU A 74 2.627 -21.078 -21.413 1.00 0.00 C ATOM 1145 C GLU A 74 1.865 -19.780 -21.665 1.00 0.00 C ATOM 1146 O GLU A 74 0.844 -19.512 -21.031 1.00 0.00 O ATOM 1147 CB GLU A 74 3.616 -20.887 -20.262 1.00 0.00 C ATOM 1148 CG GLU A 74 4.139 -22.191 -19.684 1.00 0.00 C ATOM 1149 CD GLU A 74 3.174 -22.820 -18.698 1.00 0.00 C ATOM 1150 OE1 GLU A 74 2.941 -22.219 -17.629 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.652 -23.915 -18.996 1.00 0.00 O ATOM 0 H GLU A 74 4.273 -21.147 -22.709 1.00 0.00 H new ATOM 0 HA GLU A 74 1.910 -21.853 -21.141 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.459 -20.292 -20.614 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.132 -20.317 -19.469 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.332 -22.892 -20.496 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.092 -22.008 -19.188 1.00 0.00 H new ATOM 1158 N LYS A 75 2.369 -18.977 -22.595 1.00 0.00 N ATOM 1159 CA LYS A 75 1.738 -17.707 -22.934 1.00 0.00 C ATOM 1160 C LYS A 75 0.360 -17.930 -23.548 1.00 0.00 C ATOM 1161 O LYS A 75 -0.582 -17.188 -23.272 1.00 0.00 O ATOM 1162 CB LYS A 75 2.619 -16.919 -23.906 1.00 0.00 C ATOM 1163 CG LYS A 75 3.977 -16.551 -23.333 1.00 0.00 C ATOM 1164 CD LYS A 75 4.516 -15.273 -23.954 1.00 0.00 C ATOM 1165 CE LYS A 75 4.400 -14.096 -22.998 1.00 0.00 C ATOM 1166 NZ LYS A 75 3.929 -12.864 -23.689 1.00 0.00 N ATOM 0 H LYS A 75 3.214 -19.183 -23.128 1.00 0.00 H new ATOM 0 HA LYS A 75 1.618 -17.134 -22.015 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.763 -17.508 -24.812 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.098 -16.007 -24.198 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.896 -16.426 -22.253 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.680 -17.366 -23.507 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.560 -15.415 -24.233 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.968 -15.054 -24.871 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.709 -14.348 -22.194 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.369 -13.906 -22.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.863 -12.085 -23.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.602 -12.608 -24.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.993 -13.037 -24.107 1.00 0.00 H new