USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 770 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 91 ASN : amide:sc= -0.751 K(o=-0.82,f=-1.8!) USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= -0.0726 USER MOD Set 2.1: A 70 LYS NZ :NH3+ -115:sc= -0.388 (180deg=-2.38!) USER MOD Set 2.2: A 102 ASN : amide:sc= -1.23 X(o=-1.6,f=-2) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -1.16 USER MOD Single : A 20 GLN : amide:sc= -11.8! C(o=-12!,f=-11!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 145:sc= 1.15 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.238 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 6:sc= -0.132 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3.2!) USER MOD Single : A 45 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-0.13) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= 0.00886 (180deg=0) USER MOD Single : A 58 SER OG : rot -20:sc= 0.339 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 13:sc= -2.36 USER MOD Single : A 87 MET CE :methyl 151:sc= -0.239 (180deg=-1.08) USER MOD Single : A 88 LYS NZ :NH3+ -141:sc= -0.0068 (180deg=-0.287) USER MOD Single : A 92 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.751 K(o=-0.75,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.219 1.641 8.346 1.00 0.00 N ATOM 229 CA LEU A 12 13.153 2.014 7.421 1.00 0.00 C ATOM 230 C LEU A 12 12.911 3.519 7.447 1.00 0.00 C ATOM 231 O LEU A 12 13.231 4.208 8.416 1.00 0.00 O ATOM 232 CB LEU A 12 11.863 1.271 7.772 1.00 0.00 C ATOM 233 CG LEU A 12 11.780 -0.186 7.316 1.00 0.00 C ATOM 234 CD1 LEU A 12 10.689 -0.923 8.077 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.531 -0.260 5.816 1.00 0.00 C ATOM 0 HA LEU A 12 13.464 1.733 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.734 1.300 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.025 1.815 7.337 1.00 0.00 H new ATOM 0 HG LEU A 12 12.733 -0.670 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.645 -1.958 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.910 -0.899 9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.729 -0.441 7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.475 -1.304 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.592 0.240 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.348 0.231 5.287 1.00 0.00 H new ATOM 247 N PRO A 13 12.330 4.044 6.358 1.00 0.00 N ATOM 248 CA PRO A 13 12.029 5.473 6.232 1.00 0.00 C ATOM 249 C PRO A 13 10.905 5.913 7.165 1.00 0.00 C ATOM 250 O PRO A 13 10.305 5.093 7.858 1.00 0.00 O ATOM 251 CB PRO A 13 11.599 5.618 4.771 1.00 0.00 C ATOM 252 CG PRO A 13 11.095 4.269 4.389 1.00 0.00 C ATOM 253 CD PRO A 13 11.922 3.283 5.166 1.00 0.00 C ATOM 0 HA PRO A 13 12.883 6.095 6.502 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.824 6.376 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.435 5.922 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.037 4.165 4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.196 4.104 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.346 2.397 5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.784 2.942 4.593 1.00 0.00 H new ATOM 261 N ALA A 14 10.625 7.212 7.175 1.00 0.00 N ATOM 262 CA ALA A 14 9.572 7.760 8.020 1.00 0.00 C ATOM 263 C ALA A 14 8.209 7.643 7.345 1.00 0.00 C ATOM 264 O ALA A 14 8.115 7.265 6.176 1.00 0.00 O ATOM 265 CB ALA A 14 9.870 9.212 8.362 1.00 0.00 C ATOM 0 H ALA A 14 11.113 7.904 6.607 1.00 0.00 H new ATOM 0 HA ALA A 14 9.543 7.180 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.075 9.608 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.820 9.273 8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.929 9.797 7.444 1.00 0.00 H new ATOM 271 N LEU A 15 7.156 7.967 8.086 1.00 0.00 N ATOM 272 CA LEU A 15 5.798 7.898 7.559 1.00 0.00 C ATOM 273 C LEU A 15 5.592 8.922 6.447 1.00 0.00 C ATOM 274 O LEU A 15 6.149 10.019 6.488 1.00 0.00 O ATOM 275 CB LEU A 15 4.783 8.134 8.679 1.00 0.00 C ATOM 276 CG LEU A 15 3.336 7.751 8.364 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.250 6.293 7.937 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.442 8.010 9.567 1.00 0.00 C ATOM 0 H LEU A 15 7.216 8.280 9.055 1.00 0.00 H new ATOM 0 HA LEU A 15 5.647 6.902 7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.104 7.573 9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.808 9.190 8.949 1.00 0.00 H new ATOM 0 HG LEU A 15 2.988 8.371 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.213 6.039 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.858 6.138 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.617 5.656 8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.416 7.732 9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.789 7.416 10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.479 9.068 9.827 1.00 0.00 H new ATOM 290 N TYR A 16 4.789 8.555 5.454 1.00 0.00 N ATOM 291 CA TYR A 16 4.510 9.441 4.331 1.00 0.00 C ATOM 292 C TYR A 16 5.798 9.828 3.608 1.00 0.00 C ATOM 293 O TYR A 16 5.883 10.888 2.989 1.00 0.00 O ATOM 294 CB TYR A 16 3.786 10.700 4.813 1.00 0.00 C ATOM 295 CG TYR A 16 2.472 10.415 5.505 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.587 9.473 4.995 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.116 11.088 6.668 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.385 9.211 5.622 1.00 0.00 C ATOM 299 CE2 TYR A 16 0.917 10.830 7.302 1.00 0.00 C ATOM 300 CZ TYR A 16 0.055 9.890 6.776 1.00 0.00 C ATOM 301 OH TYR A 16 -1.142 9.631 7.405 1.00 0.00 O ATOM 0 H TYR A 16 4.320 7.650 5.404 1.00 0.00 H new ATOM 0 HA TYR A 16 3.868 8.906 3.631 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.437 11.244 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.604 11.353 3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.844 8.937 4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.788 11.825 7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.293 8.478 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.655 11.361 8.205 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.220 10.193 8.204 1.00 0.00 H new ATOM 311 N THR A 17 6.799 8.957 3.691 1.00 0.00 N ATOM 312 CA THR A 17 8.083 9.204 3.048 1.00 0.00 C ATOM 313 C THR A 17 8.100 8.652 1.626 1.00 0.00 C ATOM 314 O THR A 17 7.630 7.543 1.375 1.00 0.00 O ATOM 315 CB THR A 17 9.241 8.575 3.844 1.00 0.00 C ATOM 316 OG1 THR A 17 9.336 9.185 5.136 1.00 0.00 O ATOM 317 CG2 THR A 17 10.560 8.740 3.102 1.00 0.00 C ATOM 0 H THR A 17 6.745 8.074 4.198 1.00 0.00 H new ATOM 0 HA THR A 17 8.219 10.285 3.018 1.00 0.00 H new ATOM 0 HB THR A 17 9.037 7.510 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.263 9.458 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.364 8.288 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.495 8.250 2.131 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.767 9.801 2.960 1.00 0.00 H new ATOM 325 N ILE A 18 8.646 9.434 0.700 1.00 0.00 N ATOM 326 CA ILE A 18 8.724 9.023 -0.696 1.00 0.00 C ATOM 327 C ILE A 18 10.128 8.541 -1.049 1.00 0.00 C ATOM 328 O ILE A 18 11.119 9.195 -0.723 1.00 0.00 O ATOM 329 CB ILE A 18 8.334 10.171 -1.645 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.827 10.428 -1.578 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.758 9.848 -3.070 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.399 11.697 -2.280 1.00 0.00 C ATOM 0 H ILE A 18 9.040 10.355 0.892 1.00 0.00 H new ATOM 0 HA ILE A 18 8.017 8.203 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 18 8.853 11.076 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.302 9.582 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.522 10.480 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.475 10.669 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.839 9.710 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.264 8.933 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.319 11.815 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.896 12.552 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.673 11.640 -3.333 1.00 0.00 H new ATOM 344 N PHE A 19 10.205 7.396 -1.716 1.00 0.00 N ATOM 345 CA PHE A 19 11.487 6.827 -2.114 1.00 0.00 C ATOM 346 C PHE A 19 11.328 5.927 -3.337 1.00 0.00 C ATOM 347 O PHE A 19 10.217 5.533 -3.688 1.00 0.00 O ATOM 348 CB PHE A 19 12.098 6.032 -0.957 1.00 0.00 C ATOM 349 CG PHE A 19 11.140 5.063 -0.326 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.880 3.837 -0.919 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.498 5.377 0.862 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.999 2.944 -0.340 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.617 4.487 1.446 1.00 0.00 C ATOM 354 CZ PHE A 19 9.367 3.269 0.843 1.00 0.00 C ATOM 0 H PHE A 19 9.394 6.843 -1.993 1.00 0.00 H new ATOM 0 HA PHE A 19 12.155 7.648 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.968 5.486 -1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.453 6.727 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.372 3.577 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.689 6.328 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.805 1.993 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.124 4.743 2.372 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.678 2.572 1.297 1.00 0.00 H new ATOM 364 N GLN A 20 12.447 5.608 -3.978 1.00 0.00 N ATOM 365 CA GLN A 20 12.432 4.756 -5.162 1.00 0.00 C ATOM 366 C GLN A 20 12.827 3.326 -4.808 1.00 0.00 C ATOM 367 O GLN A 20 13.901 3.087 -4.257 1.00 0.00 O ATOM 368 CB GLN A 20 13.378 5.311 -6.228 1.00 0.00 C ATOM 369 CG GLN A 20 13.004 4.904 -7.644 1.00 0.00 C ATOM 370 CD GLN A 20 13.450 5.917 -8.679 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.505 6.538 -8.544 1.00 0.00 O ATOM 372 NE2 GLN A 20 12.646 6.092 -9.722 1.00 0.00 N ATOM 0 H GLN A 20 13.375 5.926 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 20 11.417 4.745 -5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.388 6.399 -6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.391 4.969 -6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.453 3.937 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.923 4.777 -7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.781 5.556 -9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.894 6.762 -10.450 1.00 0.00 H new ATOM 381 N GLY A 21 11.952 2.378 -5.130 1.00 0.00 N ATOM 382 CA GLY A 21 12.229 0.984 -4.839 1.00 0.00 C ATOM 383 C GLY A 21 11.992 0.084 -6.035 1.00 0.00 C ATOM 384 O GLY A 21 11.317 0.473 -6.989 1.00 0.00 O ATOM 0 H GLY A 21 11.057 2.551 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.264 0.883 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.600 0.657 -4.012 1.00 0.00 H new ATOM 388 N GLU A 22 12.549 -1.123 -5.986 1.00 0.00 N ATOM 389 CA GLU A 22 12.396 -2.079 -7.076 1.00 0.00 C ATOM 390 C GLU A 22 11.478 -3.227 -6.668 1.00 0.00 C ATOM 391 O GLU A 22 11.553 -3.728 -5.547 1.00 0.00 O ATOM 392 CB GLU A 22 13.761 -2.628 -7.498 1.00 0.00 C ATOM 393 CG GLU A 22 13.678 -3.718 -8.554 1.00 0.00 C ATOM 394 CD GLU A 22 14.997 -4.440 -8.751 1.00 0.00 C ATOM 395 OE1 GLU A 22 16.014 -3.761 -9.005 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.011 -5.684 -8.650 1.00 0.00 O ATOM 0 H GLU A 22 13.110 -1.461 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 22 11.945 -1.559 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.370 -1.809 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.272 -3.023 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.913 -4.439 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.363 -3.279 -9.501 1.00 0.00 H new ATOM 403 N VAL A 23 10.610 -3.638 -7.587 1.00 0.00 N ATOM 404 CA VAL A 23 9.676 -4.727 -7.324 1.00 0.00 C ATOM 405 C VAL A 23 10.409 -6.055 -7.173 1.00 0.00 C ATOM 406 O VAL A 23 11.180 -6.453 -8.046 1.00 0.00 O ATOM 407 CB VAL A 23 8.632 -4.855 -8.449 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.859 -6.159 -8.314 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.688 -3.662 -8.437 1.00 0.00 C ATOM 0 H VAL A 23 10.534 -3.233 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 23 9.166 -4.488 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 23 9.153 -4.867 -9.406 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.126 -6.232 -9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.550 -7.000 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.347 -6.180 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.957 -3.769 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.172 -3.616 -7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.258 -2.745 -8.586 1.00 0.00 H new ATOM 419 N ALA A 24 10.164 -6.737 -6.059 1.00 0.00 N ATOM 420 CA ALA A 24 10.799 -8.022 -5.794 1.00 0.00 C ATOM 421 C ALA A 24 9.787 -9.160 -5.867 1.00 0.00 C ATOM 422 O ALA A 24 10.153 -10.318 -6.071 1.00 0.00 O ATOM 423 CB ALA A 24 11.480 -8.005 -4.434 1.00 0.00 C ATOM 0 H ALA A 24 9.530 -6.421 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 24 11.553 -8.191 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.950 -8.971 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.239 -7.223 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.740 -7.808 -3.659 1.00 0.00 H new ATOM 429 N MET A 25 8.512 -8.824 -5.698 1.00 0.00 N ATOM 430 CA MET A 25 7.447 -9.818 -5.744 1.00 0.00 C ATOM 431 C MET A 25 6.165 -9.216 -6.310 1.00 0.00 C ATOM 432 O MET A 25 5.813 -8.077 -6.002 1.00 0.00 O ATOM 433 CB MET A 25 7.184 -10.382 -4.346 1.00 0.00 C ATOM 434 CG MET A 25 6.345 -11.649 -4.349 1.00 0.00 C ATOM 435 SD MET A 25 6.561 -12.629 -2.853 1.00 0.00 S ATOM 436 CE MET A 25 5.101 -13.665 -2.912 1.00 0.00 C ATOM 0 H MET A 25 8.192 -7.871 -5.528 1.00 0.00 H new ATOM 0 HA MET A 25 7.769 -10.627 -6.400 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.138 -10.589 -3.862 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.680 -9.624 -3.746 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.293 -11.383 -4.456 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.611 -12.254 -5.216 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.092 -14.330 -2.048 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.209 -13.038 -2.897 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.112 -14.258 -3.826 1.00 0.00 H new ATOM 446 N VAL A 26 5.470 -9.988 -7.141 1.00 0.00 N ATOM 447 CA VAL A 26 4.227 -9.530 -7.750 1.00 0.00 C ATOM 448 C VAL A 26 3.076 -10.476 -7.427 1.00 0.00 C ATOM 449 O VAL A 26 3.147 -11.674 -7.700 1.00 0.00 O ATOM 450 CB VAL A 26 4.362 -9.407 -9.279 1.00 0.00 C ATOM 451 CG1 VAL A 26 3.020 -9.069 -9.909 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.408 -8.363 -9.638 1.00 0.00 C ATOM 0 H VAL A 26 5.747 -10.933 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 26 4.014 -8.546 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 26 4.689 -10.368 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.136 -8.986 -10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.302 -9.857 -9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.659 -8.121 -9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.491 -8.289 -10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.113 -7.397 -9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.371 -8.654 -9.220 1.00 0.00 H new ATOM 462 N THR A 27 2.013 -9.930 -6.843 1.00 0.00 N ATOM 463 CA THR A 27 0.847 -10.725 -6.482 1.00 0.00 C ATOM 464 C THR A 27 -0.434 -10.097 -7.019 1.00 0.00 C ATOM 465 O THR A 27 -0.464 -8.911 -7.347 1.00 0.00 O ATOM 466 CB THR A 27 0.727 -10.884 -4.955 1.00 0.00 C ATOM 467 OG1 THR A 27 0.597 -9.599 -4.337 1.00 0.00 O ATOM 468 CG2 THR A 27 1.940 -11.605 -4.388 1.00 0.00 C ATOM 0 H THR A 27 1.937 -8.940 -6.610 1.00 0.00 H new ATOM 0 HA THR A 27 0.983 -11.708 -6.932 1.00 0.00 H new ATOM 0 HB THR A 27 -0.161 -11.480 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.001 -9.667 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.832 -11.705 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.018 -12.595 -4.838 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.841 -11.033 -4.611 1.00 0.00 H new ATOM 476 N ASP A 28 -1.490 -10.899 -7.105 1.00 0.00 N ATOM 477 CA ASP A 28 -2.775 -10.420 -7.600 1.00 0.00 C ATOM 478 C ASP A 28 -3.433 -9.486 -6.590 1.00 0.00 C ATOM 479 O ASP A 28 -4.468 -8.882 -6.870 1.00 0.00 O ATOM 480 CB ASP A 28 -3.701 -11.600 -7.901 1.00 0.00 C ATOM 481 CG ASP A 28 -4.534 -12.003 -6.700 1.00 0.00 C ATOM 482 OD1 ASP A 28 -5.583 -11.366 -6.464 1.00 0.00 O ATOM 483 OD2 ASP A 28 -4.138 -12.956 -5.996 1.00 0.00 O ATOM 0 H ASP A 28 -1.481 -11.883 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.597 -9.863 -8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.362 -11.338 -8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.105 -12.452 -8.228 1.00 0.00 H new ATOM 488 N TYR A 29 -2.826 -9.373 -5.414 1.00 0.00 N ATOM 489 CA TYR A 29 -3.354 -8.514 -4.360 1.00 0.00 C ATOM 490 C TYR A 29 -2.371 -7.398 -4.022 1.00 0.00 C ATOM 491 O TYR A 29 -2.528 -6.698 -3.023 1.00 0.00 O ATOM 492 CB TYR A 29 -3.659 -9.338 -3.108 1.00 0.00 C ATOM 493 CG TYR A 29 -2.485 -10.158 -2.623 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.389 -9.553 -2.021 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.474 -11.541 -2.766 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.315 -10.299 -1.578 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.404 -12.295 -2.324 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.327 -11.670 -1.731 1.00 0.00 C ATOM 499 OH TYR A 29 0.741 -12.417 -1.289 1.00 0.00 O ATOM 0 H TYR A 29 -1.968 -9.865 -5.166 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.277 -8.061 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.977 -8.667 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.496 -10.005 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.377 -8.480 -1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.316 -12.034 -3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.530 -9.812 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.411 -13.368 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 29 0.574 -13.365 -1.471 1.00 0.00 H new ATOM 509 N GLY A 30 -1.355 -7.237 -4.865 1.00 0.00 N ATOM 510 CA GLY A 30 -0.361 -6.205 -4.640 1.00 0.00 C ATOM 511 C GLY A 30 1.024 -6.624 -5.092 1.00 0.00 C ATOM 512 O GLY A 30 1.182 -7.641 -5.767 1.00 0.00 O ATOM 0 H GLY A 30 -1.203 -7.803 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.655 -5.300 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.334 -5.957 -3.579 1.00 0.00 H new ATOM 516 N ALA A 31 2.029 -5.840 -4.721 1.00 0.00 N ATOM 517 CA ALA A 31 3.408 -6.136 -5.093 1.00 0.00 C ATOM 518 C ALA A 31 4.381 -5.663 -4.018 1.00 0.00 C ATOM 519 O ALA A 31 4.127 -4.674 -3.328 1.00 0.00 O ATOM 520 CB ALA A 31 3.744 -5.493 -6.430 1.00 0.00 C ATOM 0 H ALA A 31 1.915 -4.994 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 31 3.508 -7.217 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.776 -5.722 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.077 -5.883 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.620 -4.413 -6.356 1.00 0.00 H new ATOM 526 N PHE A 32 5.493 -6.375 -3.879 1.00 0.00 N ATOM 527 CA PHE A 32 6.503 -6.029 -2.885 1.00 0.00 C ATOM 528 C PHE A 32 7.578 -5.131 -3.493 1.00 0.00 C ATOM 529 O PHE A 32 8.070 -5.391 -4.592 1.00 0.00 O ATOM 530 CB PHE A 32 7.144 -7.296 -2.316 1.00 0.00 C ATOM 531 CG PHE A 32 6.196 -8.136 -1.507 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.131 -8.780 -2.116 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.369 -8.279 -0.141 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.256 -9.554 -1.376 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.498 -9.052 0.604 1.00 0.00 C ATOM 536 CZ PHE A 32 4.440 -9.689 -0.014 1.00 0.00 C ATOM 0 H PHE A 32 5.719 -7.195 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 32 6.012 -5.485 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.537 -7.895 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.992 -7.016 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.983 -8.676 -3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.193 -7.781 0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.430 -10.052 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.645 -9.158 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.758 -10.292 0.567 1.00 0.00 H new ATOM 546 N ILE A 33 7.937 -4.076 -2.770 1.00 0.00 N ATOM 547 CA ILE A 33 8.952 -3.140 -3.237 1.00 0.00 C ATOM 548 C ILE A 33 10.115 -3.056 -2.253 1.00 0.00 C ATOM 549 O ILE A 33 9.914 -2.902 -1.049 1.00 0.00 O ATOM 550 CB ILE A 33 8.367 -1.731 -3.444 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.102 -1.802 -4.302 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.400 -0.819 -4.090 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.377 -2.061 -5.767 1.00 0.00 C ATOM 0 H ILE A 33 7.540 -3.848 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 33 9.314 -3.518 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 33 8.102 -1.317 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.456 -2.591 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.554 -0.865 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.972 0.174 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.277 -0.749 -3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.692 -1.228 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.434 -2.098 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.997 -1.259 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.898 -3.012 -5.877 1.00 0.00 H new ATOM 565 N LYS A 34 11.332 -3.155 -2.776 1.00 0.00 N ATOM 566 CA LYS A 34 12.529 -3.087 -1.945 1.00 0.00 C ATOM 567 C LYS A 34 12.942 -1.638 -1.703 1.00 0.00 C ATOM 568 O LYS A 34 13.048 -0.849 -2.642 1.00 0.00 O ATOM 569 CB LYS A 34 13.678 -3.852 -2.607 1.00 0.00 C ATOM 570 CG LYS A 34 13.423 -5.344 -2.732 1.00 0.00 C ATOM 571 CD LYS A 34 14.722 -6.130 -2.788 1.00 0.00 C ATOM 572 CE LYS A 34 14.468 -7.613 -3.008 1.00 0.00 C ATOM 573 NZ LYS A 34 15.525 -8.455 -2.382 1.00 0.00 N ATOM 0 H LYS A 34 11.516 -3.283 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 34 12.300 -3.547 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.855 -3.438 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.589 -3.695 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.827 -5.684 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.839 -5.540 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.348 -5.744 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.274 -5.988 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.497 -7.881 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.425 -7.819 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.316 -9.459 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.449 -8.218 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.549 -8.277 -1.358 1.00 0.00 H new ATOM 587 N ILE A 35 13.175 -1.297 -0.440 1.00 0.00 N ATOM 588 CA ILE A 35 13.579 0.055 -0.077 1.00 0.00 C ATOM 589 C ILE A 35 15.096 0.201 -0.098 1.00 0.00 C ATOM 590 O ILE A 35 15.835 -0.669 0.365 1.00 0.00 O ATOM 591 CB ILE A 35 13.056 0.442 1.319 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.528 0.373 1.353 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.538 1.836 1.697 1.00 0.00 C ATOM 594 CD1 ILE A 35 10.959 0.283 2.752 1.00 0.00 C ATOM 0 H ILE A 35 13.091 -1.938 0.349 1.00 0.00 H new ATOM 0 HA ILE A 35 13.143 0.724 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 35 13.449 -0.267 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.121 1.256 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.198 -0.493 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.160 2.096 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.628 1.853 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.171 2.558 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.871 0.237 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.337 -0.615 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.258 1.161 3.324 1.00 0.00 H new ATOM 606 N PRO A 36 15.575 1.327 -0.647 1.00 0.00 N ATOM 607 CA PRO A 36 17.010 1.614 -0.739 1.00 0.00 C ATOM 608 C PRO A 36 17.633 1.897 0.624 1.00 0.00 C ATOM 609 O PRO A 36 17.196 2.793 1.344 1.00 0.00 O ATOM 610 CB PRO A 36 17.066 2.864 -1.621 1.00 0.00 C ATOM 611 CG PRO A 36 15.741 3.520 -1.432 1.00 0.00 C ATOM 612 CD PRO A 36 14.753 2.407 -1.218 1.00 0.00 C ATOM 0 HA PRO A 36 17.570 0.768 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.881 3.524 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.234 2.604 -2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.759 4.195 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.473 4.117 -2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.953 2.705 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.282 2.102 -2.153 1.00 0.00 H new ATOM 620 N GLY A 37 18.658 1.124 0.972 1.00 0.00 N ATOM 621 CA GLY A 37 19.326 1.308 2.247 1.00 0.00 C ATOM 622 C GLY A 37 18.543 0.714 3.401 1.00 0.00 C ATOM 623 O GLY A 37 18.525 1.271 4.500 1.00 0.00 O ATOM 0 H GLY A 37 19.037 0.374 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.313 0.848 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.478 2.373 2.424 1.00 0.00 H new ATOM 627 N CYS A 38 17.893 -0.418 3.153 1.00 0.00 N ATOM 628 CA CYS A 38 17.102 -1.086 4.181 1.00 0.00 C ATOM 629 C CYS A 38 17.160 -2.602 4.011 1.00 0.00 C ATOM 630 O CYS A 38 17.659 -3.105 3.004 1.00 0.00 O ATOM 631 CB CYS A 38 15.650 -0.609 4.127 1.00 0.00 C ATOM 632 SG CYS A 38 15.429 1.133 4.558 1.00 0.00 S ATOM 0 H CYS A 38 17.898 -0.892 2.250 1.00 0.00 H new ATOM 0 HA CYS A 38 17.524 -0.831 5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.261 -0.776 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.053 -1.219 4.805 1.00 0.00 H new ATOM 0 HG CYS A 38 16.592 1.689 4.727 1.00 0.00 H new ATOM 638 N ARG A 39 16.647 -3.322 5.002 1.00 0.00 N ATOM 639 CA ARG A 39 16.643 -4.780 4.964 1.00 0.00 C ATOM 640 C ARG A 39 15.228 -5.313 4.758 1.00 0.00 C ATOM 641 O ARG A 39 15.024 -6.307 4.060 1.00 0.00 O ATOM 642 CB ARG A 39 17.229 -5.347 6.258 1.00 0.00 C ATOM 643 CG ARG A 39 16.487 -4.907 7.508 1.00 0.00 C ATOM 644 CD ARG A 39 16.881 -5.744 8.715 1.00 0.00 C ATOM 645 NE ARG A 39 15.964 -5.555 9.835 1.00 0.00 N ATOM 646 CZ ARG A 39 16.245 -5.912 11.084 1.00 0.00 C ATOM 647 NH1 ARG A 39 17.413 -6.472 11.370 1.00 0.00 N ATOM 648 NH2 ARG A 39 15.359 -5.707 12.050 1.00 0.00 N ATOM 0 H ARG A 39 16.229 -2.921 5.841 1.00 0.00 H new ATOM 0 HA ARG A 39 17.260 -5.099 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.219 -6.436 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 39 18.272 -5.041 6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.700 -3.857 7.708 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.413 -4.989 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.899 -6.797 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.892 -5.479 9.025 1.00 0.00 H new ATOM 0 HE ARG A 39 15.058 -5.125 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.098 -6.629 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.626 -6.745 12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.461 -5.275 11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.576 -5.982 13.008 1.00 0.00 H new ATOM 662 N LYS A 40 14.255 -4.648 5.370 1.00 0.00 N ATOM 663 CA LYS A 40 12.859 -5.054 5.254 1.00 0.00 C ATOM 664 C LYS A 40 12.199 -4.393 4.049 1.00 0.00 C ATOM 665 O LYS A 40 12.594 -3.302 3.635 1.00 0.00 O ATOM 666 CB LYS A 40 12.094 -4.694 6.530 1.00 0.00 C ATOM 667 CG LYS A 40 12.119 -5.788 7.583 1.00 0.00 C ATOM 668 CD LYS A 40 11.198 -6.939 7.212 1.00 0.00 C ATOM 669 CE LYS A 40 10.927 -7.841 8.405 1.00 0.00 C ATOM 670 NZ LYS A 40 12.023 -8.828 8.615 1.00 0.00 N ATOM 0 H LYS A 40 14.407 -3.824 5.952 1.00 0.00 H new ATOM 0 HA LYS A 40 12.831 -6.135 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.519 -3.784 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.058 -4.473 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.137 -6.159 7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.817 -5.375 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.256 -6.545 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.648 -7.522 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.810 -7.232 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.986 -8.370 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.800 -9.424 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.118 -9.426 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.917 -8.324 8.785 1.00 0.00 H new ATOM 684 N GLN A 41 11.192 -5.058 3.492 1.00 0.00 N ATOM 685 CA GLN A 41 10.477 -4.533 2.334 1.00 0.00 C ATOM 686 C GLN A 41 9.023 -4.236 2.682 1.00 0.00 C ATOM 687 O GLN A 41 8.512 -4.691 3.704 1.00 0.00 O ATOM 688 CB GLN A 41 10.544 -5.526 1.173 1.00 0.00 C ATOM 689 CG GLN A 41 11.952 -6.011 0.868 1.00 0.00 C ATOM 690 CD GLN A 41 11.973 -7.406 0.276 1.00 0.00 C ATOM 691 OE1 GLN A 41 11.005 -8.157 0.391 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.081 -7.762 -0.364 1.00 0.00 N ATOM 0 H GLN A 41 10.853 -5.961 3.824 1.00 0.00 H new ATOM 0 HA GLN A 41 10.957 -3.602 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.915 -6.385 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.129 -5.058 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.428 -5.319 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.542 -6.000 1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.861 -7.108 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.152 -8.689 -0.783 1.00 0.00 H new ATOM 701 N GLY A 42 8.359 -3.467 1.824 1.00 0.00 N ATOM 702 CA GLY A 42 6.969 -3.122 2.058 1.00 0.00 C ATOM 703 C GLY A 42 6.051 -3.640 0.968 1.00 0.00 C ATOM 704 O GLY A 42 6.463 -3.782 -0.184 1.00 0.00 O ATOM 0 H GLY A 42 8.759 -3.077 0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.654 -3.530 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.873 -2.038 2.125 1.00 0.00 H new ATOM 708 N LEU A 43 4.805 -3.922 1.331 1.00 0.00 N ATOM 709 CA LEU A 43 3.826 -4.429 0.375 1.00 0.00 C ATOM 710 C LEU A 43 2.913 -3.310 -0.112 1.00 0.00 C ATOM 711 O LEU A 43 2.422 -2.504 0.679 1.00 0.00 O ATOM 712 CB LEU A 43 2.993 -5.543 1.012 1.00 0.00 C ATOM 713 CG LEU A 43 1.710 -5.926 0.274 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.028 -6.794 -0.934 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.750 -6.644 1.210 1.00 0.00 C ATOM 0 H LEU A 43 4.448 -3.808 2.280 1.00 0.00 H new ATOM 0 HA LEU A 43 4.365 -4.832 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.618 -6.432 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.729 -5.238 2.025 1.00 0.00 H new ATOM 0 HG LEU A 43 1.229 -5.013 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.103 -7.057 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.677 -6.245 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.532 -7.703 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.157 -6.909 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.222 -7.549 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.496 -5.989 2.043 1.00 0.00 H new ATOM 727 N VAL A 44 2.686 -3.266 -1.422 1.00 0.00 N ATOM 728 CA VAL A 44 1.827 -2.249 -2.015 1.00 0.00 C ATOM 729 C VAL A 44 0.484 -2.837 -2.433 1.00 0.00 C ATOM 730 O VAL A 44 0.406 -3.629 -3.373 1.00 0.00 O ATOM 731 CB VAL A 44 2.494 -1.598 -3.242 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.574 -0.557 -3.861 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.830 -0.981 -2.857 1.00 0.00 C ATOM 0 H VAL A 44 3.086 -3.923 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 44 1.664 -1.488 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 44 2.679 -2.372 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.062 -0.108 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.645 -1.033 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.354 0.217 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.287 -0.526 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.672 -0.219 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.489 -1.756 -2.465 1.00 0.00 H new ATOM 743 N HIS A 45 -0.572 -2.445 -1.728 1.00 0.00 N ATOM 744 CA HIS A 45 -1.914 -2.933 -2.026 1.00 0.00 C ATOM 745 C HIS A 45 -2.286 -2.646 -3.478 1.00 0.00 C ATOM 746 O HIS A 45 -1.897 -1.621 -4.038 1.00 0.00 O ATOM 747 CB HIS A 45 -2.934 -2.287 -1.089 1.00 0.00 C ATOM 748 CG HIS A 45 -4.160 -3.120 -0.872 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.272 -2.661 -0.199 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.445 -4.390 -1.245 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.188 -3.613 -0.166 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.711 -4.672 -0.795 1.00 0.00 N ATOM 0 H HIS A 45 -0.525 -1.791 -0.947 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.924 -4.012 -1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.460 -2.095 -0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.229 -1.320 -1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.797 -5.057 -1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.161 -3.538 0.297 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.203 -5.556 -0.925 1.00 0.00 H new ATOM 760 N ARG A 46 -3.043 -3.557 -4.081 1.00 0.00 N ATOM 761 CA ARG A 46 -3.466 -3.403 -5.468 1.00 0.00 C ATOM 762 C ARG A 46 -4.272 -2.121 -5.650 1.00 0.00 C ATOM 763 O ARG A 46 -4.232 -1.494 -6.710 1.00 0.00 O ATOM 764 CB ARG A 46 -4.298 -4.609 -5.907 1.00 0.00 C ATOM 765 CG ARG A 46 -5.464 -4.914 -4.981 1.00 0.00 C ATOM 766 CD ARG A 46 -6.700 -4.114 -5.360 1.00 0.00 C ATOM 767 NE ARG A 46 -7.494 -4.786 -6.386 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.658 -4.328 -6.832 1.00 0.00 C ATOM 769 NH1 ARG A 46 -9.161 -3.202 -6.345 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.321 -4.997 -7.768 1.00 0.00 N ATOM 0 H ARG A 46 -3.376 -4.410 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.573 -3.342 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.680 -4.430 -6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.651 -5.485 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.692 -5.979 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.183 -4.686 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.314 -3.954 -4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.399 -3.131 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.134 -5.655 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.654 -2.686 -5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.055 -2.852 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.936 -5.863 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.215 -4.645 -8.110 1.00 0.00 H new ATOM 784 N THR A 47 -5.006 -1.735 -4.610 1.00 0.00 N ATOM 785 CA THR A 47 -5.823 -0.531 -4.655 1.00 0.00 C ATOM 786 C THR A 47 -4.957 0.717 -4.794 1.00 0.00 C ATOM 787 O THR A 47 -5.365 1.703 -5.406 1.00 0.00 O ATOM 788 CB THR A 47 -6.698 -0.397 -3.395 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.594 0.711 -3.535 1.00 0.00 O ATOM 790 CG2 THR A 47 -5.837 -0.206 -2.156 1.00 0.00 C ATOM 0 H THR A 47 -5.050 -2.241 -3.725 1.00 0.00 H new ATOM 0 HA THR A 47 -6.469 -0.621 -5.528 1.00 0.00 H new ATOM 0 HB THR A 47 -7.273 -1.316 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.148 0.788 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.477 -0.114 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.178 -1.065 -2.035 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.238 0.698 -2.265 1.00 0.00 H new ATOM 798 N HIS A 48 -3.759 0.666 -4.219 1.00 0.00 N ATOM 799 CA HIS A 48 -2.834 1.791 -4.280 1.00 0.00 C ATOM 800 C HIS A 48 -1.891 1.657 -5.471 1.00 0.00 C ATOM 801 O HIS A 48 -1.197 2.606 -5.836 1.00 0.00 O ATOM 802 CB HIS A 48 -2.028 1.887 -2.984 1.00 0.00 C ATOM 803 CG HIS A 48 -2.868 2.161 -1.774 1.00 0.00 C ATOM 804 ND1 HIS A 48 -3.518 3.358 -1.566 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.163 1.383 -0.707 1.00 0.00 C ATOM 806 CE1 HIS A 48 -4.176 3.305 -0.422 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.978 2.117 0.120 1.00 0.00 N ATOM 0 H HIS A 48 -3.407 -0.142 -3.706 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.418 2.703 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.484 0.954 -2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.284 2.677 -3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.821 0.373 -0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.775 4.099 -0.001 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.367 1.797 1.007 1.00 0.00 H new ATOM 815 N MET A 49 -1.870 0.472 -6.073 1.00 0.00 N ATOM 816 CA MET A 49 -1.012 0.214 -7.223 1.00 0.00 C ATOM 817 C MET A 49 -1.417 1.084 -8.409 1.00 0.00 C ATOM 818 O MET A 49 -0.604 1.367 -9.289 1.00 0.00 O ATOM 819 CB MET A 49 -1.077 -1.264 -7.614 1.00 0.00 C ATOM 820 CG MET A 49 -0.215 -2.162 -6.740 1.00 0.00 C ATOM 821 SD MET A 49 0.020 -3.802 -7.452 1.00 0.00 S ATOM 822 CE MET A 49 1.443 -3.516 -8.501 1.00 0.00 C ATOM 0 H MET A 49 -2.438 -0.324 -5.783 1.00 0.00 H new ATOM 0 HA MET A 49 0.012 0.464 -6.944 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.112 -1.601 -7.558 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.763 -1.371 -8.652 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.757 -1.692 -6.590 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.677 -2.259 -5.758 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.711 -4.441 -9.011 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.203 -2.751 -9.239 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.283 -3.181 -7.892 1.00 0.00 H new ATOM 832 N SER A 50 -2.677 1.505 -8.426 1.00 0.00 N ATOM 833 CA SER A 50 -3.190 2.339 -9.505 1.00 0.00 C ATOM 834 C SER A 50 -4.492 3.022 -9.094 1.00 0.00 C ATOM 835 O SER A 50 -5.278 2.469 -8.324 1.00 0.00 O ATOM 836 CB SER A 50 -3.417 1.498 -10.764 1.00 0.00 C ATOM 837 OG SER A 50 -4.183 2.211 -11.721 1.00 0.00 O ATOM 0 H SER A 50 -3.362 1.282 -7.704 1.00 0.00 H new ATOM 0 HA SER A 50 -2.449 3.109 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.456 1.219 -11.197 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.929 0.573 -10.500 1.00 0.00 H new ATOM 0 HG SER A 50 -4.313 1.654 -12.517 1.00 0.00 H new ATOM 843 N SER A 51 -4.712 4.225 -9.614 1.00 0.00 N ATOM 844 CA SER A 51 -5.916 4.984 -9.298 1.00 0.00 C ATOM 845 C SER A 51 -7.152 4.316 -9.893 1.00 0.00 C ATOM 846 O SER A 51 -8.019 3.830 -9.165 1.00 0.00 O ATOM 847 CB SER A 51 -5.793 6.416 -9.826 1.00 0.00 C ATOM 848 OG SER A 51 -5.114 7.243 -8.899 1.00 0.00 O ATOM 0 H SER A 51 -4.073 4.695 -10.255 1.00 0.00 H new ATOM 0 HA SER A 51 -6.025 5.010 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.258 6.412 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.786 6.822 -10.021 1.00 0.00 H new ATOM 0 HG SER A 51 -5.047 8.152 -9.260 1.00 0.00 H new ATOM 854 N CYS A 52 -7.226 4.294 -11.219 1.00 0.00 N ATOM 855 CA CYS A 52 -8.355 3.686 -11.912 1.00 0.00 C ATOM 856 C CYS A 52 -8.674 2.312 -11.331 1.00 0.00 C ATOM 857 O CYS A 52 -7.926 1.787 -10.507 1.00 0.00 O ATOM 858 CB CYS A 52 -8.058 3.564 -13.407 1.00 0.00 C ATOM 859 SG CYS A 52 -8.012 5.145 -14.283 1.00 0.00 S ATOM 0 H CYS A 52 -6.517 4.691 -11.836 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.223 4.330 -11.773 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -7.099 3.062 -13.536 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.815 2.929 -13.866 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.752 4.937 -15.540 1.00 0.00 H new ATOM 865 N ARG A 53 -9.791 1.737 -11.765 1.00 0.00 N ATOM 866 CA ARG A 53 -10.211 0.425 -11.286 1.00 0.00 C ATOM 867 C ARG A 53 -9.166 -0.636 -11.621 1.00 0.00 C ATOM 868 O ARG A 53 -9.107 -1.130 -12.748 1.00 0.00 O ATOM 869 CB ARG A 53 -11.558 0.042 -11.900 1.00 0.00 C ATOM 870 CG ARG A 53 -11.946 -1.409 -11.660 1.00 0.00 C ATOM 871 CD ARG A 53 -13.377 -1.682 -12.096 1.00 0.00 C ATOM 872 NE ARG A 53 -14.350 -1.120 -11.164 1.00 0.00 N ATOM 873 CZ ARG A 53 -15.664 -1.248 -11.307 1.00 0.00 C ATOM 874 NH1 ARG A 53 -16.160 -1.916 -12.340 1.00 0.00 N ATOM 875 NH2 ARG A 53 -16.486 -0.708 -10.416 1.00 0.00 N ATOM 0 H ARG A 53 -10.421 2.159 -12.447 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.316 0.478 -10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.333 0.689 -11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.524 0.228 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.267 -2.064 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.835 -1.646 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.540 -1.261 -13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.532 -2.758 -12.177 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.001 -0.600 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.532 -2.333 -13.027 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.170 -2.013 -12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.109 -0.194 -9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.495 -0.807 -10.527 1.00 0.00 H new ATOM 889 N VAL A 54 -8.343 -0.981 -10.637 1.00 0.00 N ATOM 890 CA VAL A 54 -7.302 -1.984 -10.826 1.00 0.00 C ATOM 891 C VAL A 54 -7.903 -3.370 -11.026 1.00 0.00 C ATOM 892 O VAL A 54 -8.609 -3.884 -10.158 1.00 0.00 O ATOM 893 CB VAL A 54 -6.337 -2.024 -9.626 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.219 -3.025 -9.873 1.00 0.00 C ATOM 895 CG2 VAL A 54 -5.772 -0.639 -9.350 1.00 0.00 C ATOM 0 H VAL A 54 -8.377 -0.580 -9.700 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.748 -1.699 -11.720 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.893 -2.346 -8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.547 -3.039 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.645 -4.018 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.662 -2.736 -10.765 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.092 -0.686 -8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.231 -0.285 -10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.587 0.048 -9.125 1.00 0.00 H new ATOM 905 N ASP A 55 -7.620 -3.971 -12.177 1.00 0.00 N ATOM 906 CA ASP A 55 -8.131 -5.300 -12.493 1.00 0.00 C ATOM 907 C ASP A 55 -7.063 -6.363 -12.257 1.00 0.00 C ATOM 908 O ASP A 55 -7.329 -7.401 -11.649 1.00 0.00 O ATOM 909 CB ASP A 55 -8.609 -5.353 -13.944 1.00 0.00 C ATOM 910 CG ASP A 55 -8.493 -6.742 -14.541 1.00 0.00 C ATOM 911 OD1 ASP A 55 -9.022 -7.695 -13.933 1.00 0.00 O ATOM 912 OD2 ASP A 55 -7.871 -6.876 -15.616 1.00 0.00 O ATOM 0 H ASP A 55 -7.039 -3.558 -12.907 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.974 -5.505 -11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.647 -5.025 -13.994 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.025 -4.654 -14.542 1.00 0.00 H new ATOM 917 N LYS A 56 -5.855 -6.099 -12.742 1.00 0.00 N ATOM 918 CA LYS A 56 -4.745 -7.032 -12.584 1.00 0.00 C ATOM 919 C LYS A 56 -3.445 -6.289 -12.294 1.00 0.00 C ATOM 920 O LYS A 56 -2.839 -5.682 -13.178 1.00 0.00 O ATOM 921 CB LYS A 56 -4.588 -7.886 -13.843 1.00 0.00 C ATOM 922 CG LYS A 56 -5.423 -9.155 -13.826 1.00 0.00 C ATOM 923 CD LYS A 56 -5.130 -10.031 -15.032 1.00 0.00 C ATOM 924 CE LYS A 56 -5.900 -9.567 -16.259 1.00 0.00 C ATOM 925 NZ LYS A 56 -7.322 -10.007 -16.219 1.00 0.00 N ATOM 0 H LYS A 56 -5.619 -5.246 -13.248 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.967 -7.681 -11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.865 -7.290 -14.713 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.538 -8.154 -13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.220 -9.713 -12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.481 -8.895 -13.812 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.061 -10.014 -15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.393 -11.064 -14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.858 -8.480 -16.325 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.423 -9.960 -17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.585 -10.416 -17.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.443 -10.723 -15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.933 -9.190 -16.017 1.00 0.00 H new ATOM 939 N PRO A 57 -3.005 -6.335 -11.028 1.00 0.00 N ATOM 940 CA PRO A 57 -1.771 -5.673 -10.595 1.00 0.00 C ATOM 941 C PRO A 57 -0.523 -6.346 -11.158 1.00 0.00 C ATOM 942 O PRO A 57 0.550 -5.744 -11.205 1.00 0.00 O ATOM 943 CB PRO A 57 -1.811 -5.811 -9.071 1.00 0.00 C ATOM 944 CG PRO A 57 -2.653 -7.014 -8.822 1.00 0.00 C ATOM 945 CD PRO A 57 -3.676 -7.040 -9.923 1.00 0.00 C ATOM 0 HA PRO A 57 -1.719 -4.641 -10.943 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.810 -5.936 -8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.240 -4.924 -8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.049 -7.921 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.133 -6.959 -7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.943 -8.060 -10.200 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.598 -6.539 -9.627 1.00 0.00 H new ATOM 953 N SER A 58 -0.672 -7.596 -11.585 1.00 0.00 N ATOM 954 CA SER A 58 0.444 -8.350 -12.142 1.00 0.00 C ATOM 955 C SER A 58 0.810 -7.835 -13.531 1.00 0.00 C ATOM 956 O SER A 58 1.838 -8.211 -14.092 1.00 0.00 O ATOM 957 CB SER A 58 0.096 -9.839 -12.213 1.00 0.00 C ATOM 958 OG SER A 58 1.151 -10.582 -12.797 1.00 0.00 O ATOM 0 H SER A 58 -1.554 -8.107 -11.556 1.00 0.00 H new ATOM 0 HA SER A 58 1.304 -8.215 -11.486 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.107 -10.216 -11.211 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.815 -9.975 -12.796 1.00 0.00 H new ATOM 0 HG SER A 58 1.727 -9.981 -13.314 1.00 0.00 H new ATOM 964 N GLU A 59 -0.041 -6.973 -14.077 1.00 0.00 N ATOM 965 CA GLU A 59 0.192 -6.405 -15.400 1.00 0.00 C ATOM 966 C GLU A 59 0.626 -4.946 -15.299 1.00 0.00 C ATOM 967 O GLU A 59 0.850 -4.282 -16.312 1.00 0.00 O ATOM 968 CB GLU A 59 -1.072 -6.515 -16.256 1.00 0.00 C ATOM 969 CG GLU A 59 -1.627 -7.927 -16.344 1.00 0.00 C ATOM 970 CD GLU A 59 -0.546 -8.965 -16.574 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.324 -8.735 -17.439 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.569 -10.008 -15.887 1.00 0.00 O ATOM 0 H GLU A 59 -0.897 -6.653 -13.625 1.00 0.00 H new ATOM 0 HA GLU A 59 0.994 -6.971 -15.874 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.838 -5.858 -15.844 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.852 -6.157 -17.262 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.161 -8.162 -15.423 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.353 -7.978 -17.155 1.00 0.00 H new ATOM 979 N ILE A 60 0.742 -4.454 -14.070 1.00 0.00 N ATOM 980 CA ILE A 60 1.148 -3.074 -13.836 1.00 0.00 C ATOM 981 C ILE A 60 2.663 -2.965 -13.692 1.00 0.00 C ATOM 982 O ILE A 60 3.271 -1.992 -14.139 1.00 0.00 O ATOM 983 CB ILE A 60 0.482 -2.497 -12.574 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.042 -2.598 -12.684 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.908 -1.052 -12.362 1.00 0.00 C ATOM 986 CD1 ILE A 60 -1.774 -1.984 -11.511 1.00 0.00 C ATOM 0 H ILE A 60 0.561 -4.990 -13.222 1.00 0.00 H new ATOM 0 HA ILE A 60 0.824 -2.498 -14.703 1.00 0.00 H new ATOM 0 HB ILE A 60 0.806 -3.080 -11.712 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.365 -2.106 -13.601 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.323 -3.648 -12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.428 -0.659 -11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.991 -1.005 -12.244 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.611 -0.455 -13.224 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.849 -2.092 -11.656 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.479 -2.491 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.522 -0.926 -11.438 1.00 0.00 H new ATOM 998 N VAL A 61 3.267 -3.970 -13.066 1.00 0.00 N ATOM 999 CA VAL A 61 4.711 -3.989 -12.866 1.00 0.00 C ATOM 1000 C VAL A 61 5.261 -5.406 -12.970 1.00 0.00 C ATOM 1001 O VAL A 61 4.509 -6.365 -13.146 1.00 0.00 O ATOM 1002 CB VAL A 61 5.095 -3.400 -11.496 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.274 -2.154 -11.200 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.915 -4.440 -10.400 1.00 0.00 C ATOM 0 H VAL A 61 2.778 -4.782 -12.689 1.00 0.00 H new ATOM 0 HA VAL A 61 5.148 -3.374 -13.653 1.00 0.00 H new ATOM 0 HB VAL A 61 6.146 -3.114 -11.525 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.560 -1.752 -10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.458 -1.405 -11.970 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.215 -2.410 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.191 -4.007 -9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.873 -4.759 -10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.552 -5.300 -10.607 1.00 0.00 H new ATOM 1014 N ASP A 62 6.580 -5.532 -12.862 1.00 0.00 N ATOM 1015 CA ASP A 62 7.233 -6.834 -12.942 1.00 0.00 C ATOM 1016 C ASP A 62 8.568 -6.818 -12.204 1.00 0.00 C ATOM 1017 O ASP A 62 9.327 -5.853 -12.293 1.00 0.00 O ATOM 1018 CB ASP A 62 7.447 -7.231 -14.403 1.00 0.00 C ATOM 1019 CG ASP A 62 6.237 -6.935 -15.267 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.315 -7.777 -15.304 1.00 0.00 O ATOM 1021 OD2 ASP A 62 6.212 -5.863 -15.906 1.00 0.00 O ATOM 0 H ASP A 62 7.217 -4.749 -12.719 1.00 0.00 H new ATOM 0 HA ASP A 62 6.585 -7.569 -12.466 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.311 -6.698 -14.798 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.677 -8.295 -14.457 1.00 0.00 H new ATOM 1026 N VAL A 63 8.849 -7.894 -11.476 1.00 0.00 N ATOM 1027 CA VAL A 63 10.092 -8.005 -10.724 1.00 0.00 C ATOM 1028 C VAL A 63 11.263 -7.421 -11.506 1.00 0.00 C ATOM 1029 O VAL A 63 11.549 -7.846 -12.625 1.00 0.00 O ATOM 1030 CB VAL A 63 10.406 -9.471 -10.370 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.761 -9.576 -9.686 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.309 -10.053 -9.491 1.00 0.00 C ATOM 0 H VAL A 63 8.232 -8.702 -11.391 1.00 0.00 H new ATOM 0 HA VAL A 63 9.955 -7.438 -9.803 1.00 0.00 H new ATOM 0 HB VAL A 63 10.446 -10.050 -11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.966 -10.619 -9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.536 -9.200 -10.354 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.753 -8.985 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.547 -11.089 -9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.235 -9.474 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.358 -10.013 -10.022 1.00 0.00 H new ATOM 1042 N GLY A 64 11.937 -6.442 -10.911 1.00 0.00 N ATOM 1043 CA GLY A 64 13.070 -5.815 -11.567 1.00 0.00 C ATOM 1044 C GLY A 64 12.786 -4.381 -11.969 1.00 0.00 C ATOM 1045 O GLY A 64 13.707 -3.584 -12.143 1.00 0.00 O ATOM 0 H GLY A 64 11.719 -6.072 -9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.931 -5.838 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.338 -6.391 -12.453 1.00 0.00 H new ATOM 1049 N ASP A 65 11.507 -4.053 -12.118 1.00 0.00 N ATOM 1050 CA ASP A 65 11.104 -2.705 -12.503 1.00 0.00 C ATOM 1051 C ASP A 65 11.148 -1.761 -11.305 1.00 0.00 C ATOM 1052 O ASP A 65 10.617 -2.071 -10.238 1.00 0.00 O ATOM 1053 CB ASP A 65 9.698 -2.722 -13.103 1.00 0.00 C ATOM 1054 CG ASP A 65 9.670 -3.322 -14.496 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.293 -2.738 -15.405 1.00 0.00 O ATOM 1056 OD2 ASP A 65 9.022 -4.374 -14.675 1.00 0.00 O ATOM 0 H ASP A 65 10.732 -4.701 -11.978 1.00 0.00 H new ATOM 0 HA ASP A 65 11.807 -2.343 -13.254 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.035 -3.292 -12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.310 -1.704 -13.141 1.00 0.00 H new ATOM 1061 N LYS A 66 11.785 -0.610 -11.489 1.00 0.00 N ATOM 1062 CA LYS A 66 11.900 0.379 -10.424 1.00 0.00 C ATOM 1063 C LYS A 66 10.789 1.420 -10.527 1.00 0.00 C ATOM 1064 O LYS A 66 10.533 1.965 -11.601 1.00 0.00 O ATOM 1065 CB LYS A 66 13.265 1.068 -10.483 1.00 0.00 C ATOM 1066 CG LYS A 66 13.330 2.361 -9.688 1.00 0.00 C ATOM 1067 CD LYS A 66 14.728 2.956 -9.704 1.00 0.00 C ATOM 1068 CE LYS A 66 15.630 2.284 -8.680 1.00 0.00 C ATOM 1069 NZ LYS A 66 17.071 2.428 -9.031 1.00 0.00 N ATOM 0 H LYS A 66 12.230 -0.339 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 66 11.803 -0.139 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.025 0.382 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.511 1.279 -11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.623 3.080 -10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.026 2.172 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.160 2.847 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.672 4.025 -9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.450 2.719 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.377 1.226 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.653 1.957 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.248 1.991 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.319 3.437 -9.071 1.00 0.00 H new ATOM 1083 N VAL A 67 10.133 1.693 -9.403 1.00 0.00 N ATOM 1084 CA VAL A 67 9.052 2.670 -9.367 1.00 0.00 C ATOM 1085 C VAL A 67 9.098 3.494 -8.085 1.00 0.00 C ATOM 1086 O VAL A 67 9.849 3.182 -7.161 1.00 0.00 O ATOM 1087 CB VAL A 67 7.675 1.989 -9.477 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.442 1.479 -10.891 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.560 0.857 -8.468 1.00 0.00 C ATOM 0 H VAL A 67 10.332 1.251 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 67 9.193 3.328 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 67 6.905 2.727 -9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.464 1.001 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.479 2.315 -11.590 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.215 0.755 -11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.581 0.386 -8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.337 0.118 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.679 1.255 -7.460 1.00 0.00 H new ATOM 1099 N TRP A 68 8.291 4.547 -8.036 1.00 0.00 N ATOM 1100 CA TRP A 68 8.240 5.417 -6.866 1.00 0.00 C ATOM 1101 C TRP A 68 7.043 5.075 -5.986 1.00 0.00 C ATOM 1102 O TRP A 68 5.923 4.924 -6.475 1.00 0.00 O ATOM 1103 CB TRP A 68 8.169 6.882 -7.297 1.00 0.00 C ATOM 1104 CG TRP A 68 9.425 7.370 -7.954 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.665 7.466 -9.295 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.613 7.827 -7.298 1.00 0.00 C ATOM 1107 NE1 TRP A 68 10.931 7.954 -9.512 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.532 8.184 -8.303 1.00 0.00 C ATOM 1109 CE3 TRP A 68 10.990 7.969 -5.960 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.803 8.673 -8.010 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.250 8.455 -5.670 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.145 8.803 -6.691 1.00 0.00 C ATOM 0 H TRP A 68 7.663 4.820 -8.792 1.00 0.00 H new ATOM 0 HA TRP A 68 9.150 5.260 -6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.334 7.011 -7.986 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.960 7.500 -6.424 1.00 0.00 H new ATOM 0 HD1 TRP A 68 8.963 7.198 -10.071 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.354 8.118 -10.425 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.308 7.703 -5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.494 8.940 -8.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.551 8.569 -4.639 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.123 9.181 -6.432 1.00 0.00 H new ATOM 1123 N VAL A 69 7.286 4.953 -4.684 1.00 0.00 N ATOM 1124 CA VAL A 69 6.227 4.630 -3.736 1.00 0.00 C ATOM 1125 C VAL A 69 6.305 5.519 -2.501 1.00 0.00 C ATOM 1126 O VAL A 69 7.357 6.082 -2.193 1.00 0.00 O ATOM 1127 CB VAL A 69 6.297 3.155 -3.298 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.243 2.235 -4.508 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.555 2.901 -2.481 1.00 0.00 C ATOM 0 H VAL A 69 8.207 5.073 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 69 5.280 4.805 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 69 5.433 2.940 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.294 1.197 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.311 2.399 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.086 2.449 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.588 1.854 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.433 3.133 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.546 3.534 -1.593 1.00 0.00 H new ATOM 1139 N LYS A 70 5.186 5.643 -1.795 1.00 0.00 N ATOM 1140 CA LYS A 70 5.126 6.463 -0.591 1.00 0.00 C ATOM 1141 C LYS A 70 4.534 5.676 0.575 1.00 0.00 C ATOM 1142 O LYS A 70 3.486 5.043 0.441 1.00 0.00 O ATOM 1143 CB LYS A 70 4.294 7.720 -0.846 1.00 0.00 C ATOM 1144 CG LYS A 70 4.085 8.574 0.393 1.00 0.00 C ATOM 1145 CD LYS A 70 2.818 9.407 0.290 1.00 0.00 C ATOM 1146 CE LYS A 70 1.596 8.622 0.741 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.341 9.406 0.577 1.00 0.00 N ATOM 0 H LYS A 70 4.307 5.185 -2.037 1.00 0.00 H new ATOM 0 HA LYS A 70 6.143 6.755 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.784 8.321 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.322 7.428 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.029 7.933 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.943 9.231 0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.921 10.304 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.680 9.736 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.525 7.699 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.713 8.338 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.075 9.595 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.554 10.307 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.334 8.864 0.001 1.00 0.00 H new ATOM 1161 N LEU A 71 5.211 5.721 1.717 1.00 0.00 N ATOM 1162 CA LEU A 71 4.750 5.014 2.906 1.00 0.00 C ATOM 1163 C LEU A 71 3.418 5.575 3.392 1.00 0.00 C ATOM 1164 O LEU A 71 3.271 6.784 3.575 1.00 0.00 O ATOM 1165 CB LEU A 71 5.795 5.114 4.020 1.00 0.00 C ATOM 1166 CG LEU A 71 5.794 3.980 5.046 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.515 2.760 4.494 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.436 4.439 6.347 1.00 0.00 C ATOM 0 H LEU A 71 6.080 6.239 1.845 1.00 0.00 H new ATOM 0 HA LEU A 71 4.607 3.966 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.783 5.161 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.644 6.055 4.549 1.00 0.00 H new ATOM 0 HG LEU A 71 4.760 3.702 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.504 1.963 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.012 2.418 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.546 3.023 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.427 3.620 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.465 4.744 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.876 5.283 6.751 1.00 0.00 H new ATOM 1180 N ILE A 72 2.450 4.689 3.601 1.00 0.00 N ATOM 1181 CA ILE A 72 1.130 5.095 4.068 1.00 0.00 C ATOM 1182 C ILE A 72 0.890 4.637 5.503 1.00 0.00 C ATOM 1183 O ILE A 72 0.173 5.288 6.261 1.00 0.00 O ATOM 1184 CB ILE A 72 0.015 4.533 3.167 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.035 3.003 3.190 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.173 5.049 1.745 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.796 2.371 2.096 1.00 0.00 C ATOM 0 H ILE A 72 2.555 3.685 3.454 1.00 0.00 H new ATOM 0 HA ILE A 72 1.102 6.184 4.027 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.948 4.871 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.065 2.660 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.330 2.658 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.622 4.643 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.115 6.137 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.140 4.737 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.735 1.285 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.835 2.685 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.418 2.687 1.124 1.00 0.00 H new ATOM 1199 N GLY A 73 1.497 3.512 5.868 1.00 0.00 N ATOM 1200 CA GLY A 73 1.337 2.985 7.211 1.00 0.00 C ATOM 1201 C GLY A 73 2.434 2.009 7.585 1.00 0.00 C ATOM 1202 O GLY A 73 2.543 0.931 6.999 1.00 0.00 O ATOM 0 H GLY A 73 2.097 2.956 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.331 3.810 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.370 2.488 7.290 1.00 0.00 H new ATOM 1206 N ARG A 74 3.253 2.386 8.562 1.00 0.00 N ATOM 1207 CA ARG A 74 4.350 1.537 9.011 1.00 0.00 C ATOM 1208 C ARG A 74 4.156 1.125 10.468 1.00 0.00 C ATOM 1209 O ARG A 74 3.907 1.964 11.332 1.00 0.00 O ATOM 1210 CB ARG A 74 5.685 2.264 8.849 1.00 0.00 C ATOM 1211 CG ARG A 74 5.918 3.349 9.888 1.00 0.00 C ATOM 1212 CD ARG A 74 6.914 4.387 9.394 1.00 0.00 C ATOM 1213 NE ARG A 74 7.672 4.983 10.491 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.659 4.359 11.125 1.00 0.00 C ATOM 1215 NH1 ARG A 74 9.005 3.129 10.773 1.00 0.00 N ATOM 1216 NH2 ARG A 74 9.303 4.968 12.113 1.00 0.00 N ATOM 0 H ARG A 74 3.177 3.274 9.058 1.00 0.00 H new ATOM 0 HA ARG A 74 4.357 0.638 8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.495 1.537 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.728 2.709 7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.972 3.835 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.287 2.899 10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.602 3.922 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.383 5.170 8.853 1.00 0.00 H new ATOM 0 HE ARG A 74 7.431 5.929 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.513 2.659 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.763 2.653 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.040 5.915 12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.061 4.489 12.600 1.00 0.00 H new ATOM 1230 N GLU A 75 4.273 -0.173 10.731 1.00 0.00 N ATOM 1231 CA GLU A 75 4.110 -0.696 12.082 1.00 0.00 C ATOM 1232 C GLU A 75 5.101 -1.825 12.353 1.00 0.00 C ATOM 1233 O GLU A 75 5.144 -2.814 11.623 1.00 0.00 O ATOM 1234 CB GLU A 75 2.680 -1.197 12.290 1.00 0.00 C ATOM 1235 CG GLU A 75 1.698 -0.099 12.661 1.00 0.00 C ATOM 1236 CD GLU A 75 1.838 0.344 14.105 1.00 0.00 C ATOM 1237 OE1 GLU A 75 2.969 0.305 14.632 1.00 0.00 O ATOM 1238 OE2 GLU A 75 0.814 0.731 14.708 1.00 0.00 O ATOM 0 H GLU A 75 4.480 -0.881 10.027 1.00 0.00 H new ATOM 0 HA GLU A 75 4.309 0.114 12.783 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.339 -1.685 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.680 -1.953 13.075 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.852 0.758 12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.681 -0.453 12.490 1.00 0.00 H new ATOM 1245 N MET A 76 5.897 -1.667 13.405 1.00 0.00 N ATOM 1246 CA MET A 76 6.886 -2.673 13.772 1.00 0.00 C ATOM 1247 C MET A 76 6.596 -3.242 15.158 1.00 0.00 C ATOM 1248 O MET A 76 6.683 -2.534 16.161 1.00 0.00 O ATOM 1249 CB MET A 76 8.292 -2.071 13.740 1.00 0.00 C ATOM 1250 CG MET A 76 8.678 -1.497 12.385 1.00 0.00 C ATOM 1251 SD MET A 76 10.062 -0.348 12.485 1.00 0.00 S ATOM 1252 CE MET A 76 11.448 -1.469 12.305 1.00 0.00 C ATOM 0 H MET A 76 5.876 -0.852 14.018 1.00 0.00 H new ATOM 0 HA MET A 76 6.828 -3.484 13.046 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.358 -1.284 14.491 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.013 -2.839 14.019 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.936 -2.313 11.710 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.817 -0.986 11.953 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.380 -0.905 12.346 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.431 -2.201 13.112 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.378 -1.984 11.347 1.00 0.00 H new ATOM 1262 N LYS A 77 6.250 -4.523 15.206 1.00 0.00 N ATOM 1263 CA LYS A 77 5.947 -5.188 16.467 1.00 0.00 C ATOM 1264 C LYS A 77 6.947 -6.305 16.747 1.00 0.00 C ATOM 1265 O LYS A 77 7.397 -6.992 15.831 1.00 0.00 O ATOM 1266 CB LYS A 77 4.526 -5.756 16.440 1.00 0.00 C ATOM 1267 CG LYS A 77 3.461 -4.748 16.833 1.00 0.00 C ATOM 1268 CD LYS A 77 2.063 -5.296 16.604 1.00 0.00 C ATOM 1269 CE LYS A 77 1.682 -6.315 17.668 1.00 0.00 C ATOM 1270 NZ LYS A 77 0.264 -6.750 17.538 1.00 0.00 N ATOM 0 H LYS A 77 6.172 -5.123 14.385 1.00 0.00 H new ATOM 0 HA LYS A 77 6.021 -4.449 17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.311 -6.127 15.438 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.472 -6.610 17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.581 -4.482 17.883 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.593 -3.833 16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.344 -4.476 16.610 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.010 -5.760 15.619 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.337 -7.183 17.590 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.840 -5.884 18.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.044 -7.444 18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.362 -5.926 17.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.118 -7.185 16.604 1.00 0.00 H new ATOM 1284 N ASN A 78 7.290 -6.481 18.020 1.00 0.00 N ATOM 1285 CA ASN A 78 8.236 -7.517 18.420 1.00 0.00 C ATOM 1286 C ASN A 78 7.733 -8.899 18.016 1.00 0.00 C ATOM 1287 O ASN A 78 8.486 -9.874 18.033 1.00 0.00 O ATOM 1288 CB ASN A 78 8.468 -7.467 19.932 1.00 0.00 C ATOM 1289 CG ASN A 78 9.828 -8.011 20.326 1.00 0.00 C ATOM 1290 OD1 ASN A 78 10.858 -7.395 20.056 1.00 0.00 O ATOM 1291 ND2 ASN A 78 9.836 -9.175 20.968 1.00 0.00 N ATOM 0 H ASN A 78 6.927 -5.920 18.791 1.00 0.00 H new ATOM 0 HA ASN A 78 9.180 -7.331 17.908 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.378 -6.437 20.277 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.690 -8.041 20.436 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.721 -9.592 21.257 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.957 -9.651 21.171 1.00 0.00 H new ATOM 1298 N ASP A 79 6.458 -8.976 17.654 1.00 0.00 N ATOM 1299 CA ASP A 79 5.854 -10.238 17.244 1.00 0.00 C ATOM 1300 C ASP A 79 5.820 -10.356 15.723 1.00 0.00 C ATOM 1301 O ASP A 79 5.881 -11.456 15.173 1.00 0.00 O ATOM 1302 CB ASP A 79 4.438 -10.359 17.809 1.00 0.00 C ATOM 1303 CG ASP A 79 3.876 -11.759 17.668 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.496 -12.704 18.202 1.00 0.00 O ATOM 1305 OD2 ASP A 79 2.818 -11.912 17.024 1.00 0.00 O ATOM 0 H ASP A 79 5.822 -8.179 17.636 1.00 0.00 H new ATOM 0 HA ASP A 79 6.465 -11.049 17.640 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.445 -10.078 18.862 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.784 -9.655 17.295 1.00 0.00 H new ATOM 1310 N ARG A 80 5.718 -9.214 15.049 1.00 0.00 N ATOM 1311 CA ARG A 80 5.673 -9.189 13.591 1.00 0.00 C ATOM 1312 C ARG A 80 5.837 -7.765 13.067 1.00 0.00 C ATOM 1313 O ARG A 80 5.571 -6.797 13.779 1.00 0.00 O ATOM 1314 CB ARG A 80 4.353 -9.780 13.092 1.00 0.00 C ATOM 1315 CG ARG A 80 4.323 -11.299 13.101 1.00 0.00 C ATOM 1316 CD ARG A 80 3.385 -11.844 12.037 1.00 0.00 C ATOM 1317 NE ARG A 80 3.723 -13.214 11.658 1.00 0.00 N ATOM 1318 CZ ARG A 80 3.248 -13.815 10.573 1.00 0.00 C ATOM 1319 NH1 ARG A 80 2.418 -13.172 9.764 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.603 -15.063 10.296 1.00 0.00 N ATOM 0 H ARG A 80 5.665 -8.295 15.489 1.00 0.00 H new ATOM 0 HA ARG A 80 6.499 -9.793 13.215 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.539 -9.405 13.713 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.168 -9.428 12.077 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.329 -11.685 12.933 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.006 -11.652 14.082 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.360 -11.813 12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.425 -11.204 11.156 1.00 0.00 H new ATOM 0 HE ARG A 80 4.359 -13.738 12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.142 -12.213 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.055 -13.637 8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.241 -15.561 10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.238 -15.524 9.463 1.00 0.00 H new ATOM 1334 N ILE A 81 6.278 -7.648 11.819 1.00 0.00 N ATOM 1335 CA ILE A 81 6.477 -6.343 11.200 1.00 0.00 C ATOM 1336 C ILE A 81 5.554 -6.158 10.001 1.00 0.00 C ATOM 1337 O ILE A 81 5.496 -7.008 9.111 1.00 0.00 O ATOM 1338 CB ILE A 81 7.935 -6.153 10.745 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.856 -6.007 11.960 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.054 -4.939 9.836 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.313 -5.825 11.596 1.00 0.00 C ATOM 0 H ILE A 81 6.504 -8.440 11.217 1.00 0.00 H new ATOM 0 HA ILE A 81 6.241 -5.595 11.957 1.00 0.00 H new ATOM 0 HB ILE A 81 8.242 -7.035 10.182 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.529 -5.153 12.553 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.755 -6.890 12.590 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.091 -4.819 9.523 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.424 -5.079 8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.732 -4.048 10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.906 -5.728 12.506 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.657 -6.690 11.029 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.427 -4.926 10.991 1.00 0.00 H new ATOM 1353 N LYS A 82 4.836 -5.040 9.980 1.00 0.00 N ATOM 1354 CA LYS A 82 3.918 -4.740 8.888 1.00 0.00 C ATOM 1355 C LYS A 82 4.276 -3.413 8.226 1.00 0.00 C ATOM 1356 O LYS A 82 4.437 -2.395 8.899 1.00 0.00 O ATOM 1357 CB LYS A 82 2.478 -4.693 9.404 1.00 0.00 C ATOM 1358 CG LYS A 82 1.446 -5.099 8.365 1.00 0.00 C ATOM 1359 CD LYS A 82 1.325 -6.610 8.261 1.00 0.00 C ATOM 1360 CE LYS A 82 0.483 -7.020 7.062 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.191 -8.330 7.279 1.00 0.00 N ATOM 0 H LYS A 82 4.872 -4.326 10.708 1.00 0.00 H new ATOM 0 HA LYS A 82 4.005 -5.532 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.389 -5.351 10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.257 -3.683 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.478 -4.673 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.724 -4.688 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.318 -7.051 8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.877 -7.004 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.267 -6.254 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.116 -7.080 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.755 -8.574 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.525 -9.066 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.815 -8.266 8.108 1.00 0.00 H new ATOM 1375 N VAL A 83 4.397 -3.430 6.903 1.00 0.00 N ATOM 1376 CA VAL A 83 4.733 -2.228 6.149 1.00 0.00 C ATOM 1377 C VAL A 83 3.832 -2.074 4.930 1.00 0.00 C ATOM 1378 O VAL A 83 3.684 -3.000 4.133 1.00 0.00 O ATOM 1379 CB VAL A 83 6.202 -2.247 5.688 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.542 -0.970 4.934 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.131 -2.436 6.878 1.00 0.00 C ATOM 0 H VAL A 83 4.267 -4.264 6.330 1.00 0.00 H new ATOM 0 HA VAL A 83 4.581 -1.382 6.819 1.00 0.00 H new ATOM 0 HB VAL A 83 6.341 -3.089 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.584 -1.002 4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.898 -0.882 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.388 -0.110 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.165 -2.447 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.992 -1.616 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.903 -3.381 7.371 1.00 0.00 H new ATOM 1391 N SER A 84 3.230 -0.897 4.791 1.00 0.00 N ATOM 1392 CA SER A 84 2.338 -0.621 3.670 1.00 0.00 C ATOM 1393 C SER A 84 2.837 0.572 2.860 1.00 0.00 C ATOM 1394 O SER A 84 3.185 1.613 3.419 1.00 0.00 O ATOM 1395 CB SER A 84 0.918 -0.354 4.173 1.00 0.00 C ATOM 1396 OG SER A 84 0.235 -1.566 4.440 1.00 0.00 O ATOM 0 H SER A 84 3.344 -0.119 5.441 1.00 0.00 H new ATOM 0 HA SER A 84 2.326 -1.498 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.958 0.252 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.367 0.221 3.429 1.00 0.00 H new ATOM 0 HG SER A 84 -0.669 -1.368 4.762 1.00 0.00 H new ATOM 1402 N LEU A 85 2.867 0.413 1.542 1.00 0.00 N ATOM 1403 CA LEU A 85 3.322 1.477 0.653 1.00 0.00 C ATOM 1404 C LEU A 85 2.261 1.805 -0.392 1.00 0.00 C ATOM 1405 O LEU A 85 1.362 1.005 -0.650 1.00 0.00 O ATOM 1406 CB LEU A 85 4.625 1.069 -0.037 1.00 0.00 C ATOM 1407 CG LEU A 85 5.636 0.316 0.829 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.811 -0.157 -0.013 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.119 1.197 1.973 1.00 0.00 C ATOM 0 H LEU A 85 2.582 -0.442 1.065 1.00 0.00 H new ATOM 0 HA LEU A 85 3.500 2.368 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.378 0.446 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.106 1.968 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 85 5.143 -0.559 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.520 -0.691 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.452 -0.823 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.304 0.703 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.838 0.645 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.595 2.090 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.270 1.488 2.592 1.00 0.00 H new ATOM 1421 N SER A 86 2.374 2.987 -0.991 1.00 0.00 N ATOM 1422 CA SER A 86 1.423 3.421 -2.008 1.00 0.00 C ATOM 1423 C SER A 86 2.146 3.839 -3.284 1.00 0.00 C ATOM 1424 O SER A 86 3.289 4.294 -3.243 1.00 0.00 O ATOM 1425 CB SER A 86 0.578 4.584 -1.482 1.00 0.00 C ATOM 1426 OG SER A 86 1.360 5.467 -0.696 1.00 0.00 O ATOM 0 H SER A 86 3.114 3.660 -0.790 1.00 0.00 H new ATOM 0 HA SER A 86 0.768 2.581 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.140 5.128 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.249 4.197 -0.886 1.00 0.00 H new ATOM 0 HG SER A 86 2.310 5.263 -0.823 1.00 0.00 H new ATOM 1432 N MET A 87 1.470 3.681 -4.418 1.00 0.00 N ATOM 1433 CA MET A 87 2.047 4.044 -5.708 1.00 0.00 C ATOM 1434 C MET A 87 1.142 5.019 -6.453 1.00 0.00 C ATOM 1435 O MET A 87 1.602 5.785 -7.300 1.00 0.00 O ATOM 1436 CB MET A 87 2.277 2.793 -6.557 1.00 0.00 C ATOM 1437 CG MET A 87 3.444 1.941 -6.082 1.00 0.00 C ATOM 1438 SD MET A 87 3.678 0.462 -7.086 1.00 0.00 S ATOM 1439 CE MET A 87 3.755 1.175 -8.727 1.00 0.00 C ATOM 0 H MET A 87 0.523 3.305 -4.470 1.00 0.00 H new ATOM 0 HA MET A 87 3.005 4.532 -5.526 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.370 2.188 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.453 3.093 -7.590 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.356 2.537 -6.102 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.277 1.649 -5.045 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.376 0.548 -9.367 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.750 1.237 -9.144 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.186 2.174 -8.670 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.147 4.986 -6.133 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.117 5.868 -6.771 1.00 0.00 C ATOM 1451 C LYS A 88 -0.958 7.301 -6.276 1.00 0.00 C ATOM 1452 O LYS A 88 -1.412 8.246 -6.921 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.541 5.377 -6.498 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.985 5.571 -5.059 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.499 5.547 -4.934 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.976 6.404 -3.770 1.00 0.00 C ATOM 1457 NZ LYS A 88 -4.860 7.858 -4.068 1.00 0.00 N ATOM 0 H LYS A 88 -0.544 4.357 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.934 5.852 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.231 5.905 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.606 4.319 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.555 4.787 -4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.603 6.521 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.947 5.907 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.837 4.520 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.014 6.162 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.391 6.168 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.543 8.363 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.170 8.002 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.786 8.227 -4.364 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.311 7.456 -5.124 1.00 0.00 N ATOM 1472 CA VAL A 89 -0.091 8.776 -4.543 1.00 0.00 C ATOM 1473 C VAL A 89 1.296 9.305 -4.893 1.00 0.00 C ATOM 1474 O VAL A 89 1.708 10.360 -4.413 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.246 8.747 -3.012 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.680 8.416 -2.626 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.724 7.749 -2.397 1.00 0.00 C ATOM 0 H VAL A 89 0.069 6.685 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.847 9.439 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.009 9.737 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.770 8.400 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.351 9.172 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.948 7.438 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.601 7.742 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.521 6.754 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.746 8.036 -2.644 1.00 0.00 H new ATOM 1487 N VAL A 90 2.011 8.564 -5.734 1.00 0.00 N ATOM 1488 CA VAL A 90 3.352 8.960 -6.150 1.00 0.00 C ATOM 1489 C VAL A 90 3.492 8.914 -7.667 1.00 0.00 C ATOM 1490 O VAL A 90 2.910 8.056 -8.329 1.00 0.00 O ATOM 1491 CB VAL A 90 4.425 8.054 -5.519 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.817 8.598 -5.802 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.193 7.916 -4.022 1.00 0.00 C ATOM 0 H VAL A 90 1.685 7.687 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 90 3.502 9.983 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 90 4.349 7.064 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.562 7.945 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.979 8.640 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.909 9.600 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.961 7.272 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.241 8.899 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.211 7.477 -3.845 1.00 0.00 H new ATOM 1503 N ASN A 91 4.269 9.845 -8.213 1.00 0.00 N ATOM 1504 CA ASN A 91 4.486 9.911 -9.654 1.00 0.00 C ATOM 1505 C ASN A 91 5.485 8.850 -10.102 1.00 0.00 C ATOM 1506 O ASN A 91 6.359 8.443 -9.337 1.00 0.00 O ATOM 1507 CB ASN A 91 4.987 11.301 -10.051 1.00 0.00 C ATOM 1508 CG ASN A 91 4.833 11.568 -11.537 1.00 0.00 C ATOM 1509 OD1 ASN A 91 3.967 10.992 -12.195 1.00 0.00 O ATOM 1510 ND2 ASN A 91 5.674 12.446 -12.070 1.00 0.00 N ATOM 0 H ASN A 91 4.758 10.563 -7.679 1.00 0.00 H new ATOM 0 HA ASN A 91 3.534 9.720 -10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.437 12.057 -9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.037 11.399 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.618 12.667 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.376 12.899 -11.485 1.00 0.00 H new ATOM 1517 N GLN A 92 5.350 8.405 -11.348 1.00 0.00 N ATOM 1518 CA GLN A 92 6.241 7.391 -11.898 1.00 0.00 C ATOM 1519 C GLN A 92 7.240 8.013 -12.869 1.00 0.00 C ATOM 1520 O GLN A 92 8.217 7.377 -13.262 1.00 0.00 O ATOM 1521 CB GLN A 92 5.434 6.302 -12.607 1.00 0.00 C ATOM 1522 CG GLN A 92 4.337 5.700 -11.745 1.00 0.00 C ATOM 1523 CD GLN A 92 4.755 5.539 -10.296 1.00 0.00 C ATOM 1524 OE1 GLN A 92 5.872 5.111 -10.004 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.859 5.883 -9.379 1.00 0.00 N ATOM 0 H GLN A 92 4.632 8.731 -11.995 1.00 0.00 H new ATOM 0 HA GLN A 92 6.794 6.944 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.987 6.721 -13.509 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.111 5.509 -12.926 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.452 6.334 -11.795 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.056 4.727 -12.148 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.945 6.233 -9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.085 5.797 -8.388 1.00 0.00 H new ATOM 1534 N GLY A 93 6.987 9.261 -13.252 1.00 0.00 N ATOM 1535 CA GLY A 93 7.874 9.947 -14.173 1.00 0.00 C ATOM 1536 C GLY A 93 9.012 10.655 -13.464 1.00 0.00 C ATOM 1537 O GLY A 93 10.171 10.536 -13.862 1.00 0.00 O ATOM 0 H GLY A 93 6.184 9.808 -12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.284 9.227 -14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.302 10.673 -14.750 1.00 0.00 H new ATOM 1541 N THR A 94 8.681 11.397 -12.412 1.00 0.00 N ATOM 1542 CA THR A 94 9.684 12.130 -11.648 1.00 0.00 C ATOM 1543 C THR A 94 9.750 11.632 -10.208 1.00 0.00 C ATOM 1544 O THR A 94 10.770 11.777 -9.538 1.00 0.00 O ATOM 1545 CB THR A 94 9.392 13.642 -11.644 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.301 13.928 -10.762 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.062 14.134 -13.045 1.00 0.00 C ATOM 0 H THR A 94 7.727 11.506 -12.069 1.00 0.00 H new ATOM 0 HA THR A 94 10.643 11.954 -12.135 1.00 0.00 H new ATOM 0 HB THR A 94 10.285 14.161 -11.296 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.123 14.892 -10.764 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.860 15.205 -13.016 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.907 13.942 -13.706 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.183 13.608 -13.418 1.00 0.00 H new ATOM 1555 N GLY A 95 8.654 11.044 -9.739 1.00 0.00 N ATOM 1556 CA GLY A 95 8.609 10.533 -8.382 1.00 0.00 C ATOM 1557 C GLY A 95 8.146 11.577 -7.385 1.00 0.00 C ATOM 1558 O GLY A 95 8.352 11.430 -6.180 1.00 0.00 O ATOM 0 H GLY A 95 7.796 10.912 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.939 9.674 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.599 10.177 -8.098 1.00 0.00 H new ATOM 1562 N LYS A 96 7.521 12.636 -7.887 1.00 0.00 N ATOM 1563 CA LYS A 96 7.027 13.710 -7.033 1.00 0.00 C ATOM 1564 C LYS A 96 5.799 13.261 -6.250 1.00 0.00 C ATOM 1565 O LYS A 96 5.135 12.292 -6.618 1.00 0.00 O ATOM 1566 CB LYS A 96 6.688 14.943 -7.873 1.00 0.00 C ATOM 1567 CG LYS A 96 6.833 16.253 -7.118 1.00 0.00 C ATOM 1568 CD LYS A 96 8.293 16.608 -6.891 1.00 0.00 C ATOM 1569 CE LYS A 96 8.854 17.421 -8.046 1.00 0.00 C ATOM 1570 NZ LYS A 96 10.336 17.543 -7.971 1.00 0.00 N ATOM 0 H LYS A 96 7.344 12.774 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 96 7.814 13.967 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.336 14.965 -8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.664 14.854 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.346 17.052 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.322 16.179 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.391 17.174 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.876 15.695 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.576 16.951 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.407 18.415 -8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.679 18.104 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.601 18.014 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.764 16.596 -8.002 1.00 0.00 H new ATOM 1584 N ASP A 97 5.499 13.973 -5.169 1.00 0.00 N ATOM 1585 CA ASP A 97 4.347 13.649 -4.335 1.00 0.00 C ATOM 1586 C ASP A 97 3.055 14.146 -4.977 1.00 0.00 C ATOM 1587 O ASP A 97 2.939 15.318 -5.337 1.00 0.00 O ATOM 1588 CB ASP A 97 4.509 14.263 -2.943 1.00 0.00 C ATOM 1589 CG ASP A 97 3.474 13.753 -1.961 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.344 13.441 -2.396 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.792 13.662 -0.757 1.00 0.00 O ATOM 0 H ASP A 97 6.038 14.778 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 97 4.291 12.565 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.506 14.039 -2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.432 15.348 -3.017 1.00 0.00 H new ATOM 1596 N LEU A 98 2.086 13.248 -5.116 1.00 0.00 N ATOM 1597 CA LEU A 98 0.803 13.594 -5.714 1.00 0.00 C ATOM 1598 C LEU A 98 -0.227 13.932 -4.640 1.00 0.00 C ATOM 1599 O LEU A 98 -1.145 14.718 -4.872 1.00 0.00 O ATOM 1600 CB LEU A 98 0.293 12.441 -6.580 1.00 0.00 C ATOM 1601 CG LEU A 98 1.279 11.889 -7.610 1.00 0.00 C ATOM 1602 CD1 LEU A 98 0.705 10.655 -8.291 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.628 12.953 -8.639 1.00 0.00 C ATOM 0 H LEU A 98 2.165 12.274 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 98 0.949 14.474 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.010 11.626 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.601 12.776 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 98 2.193 11.601 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.421 10.276 -9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.507 9.886 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.224 10.918 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.331 12.542 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.722 13.273 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.082 13.808 -8.138 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.065 13.333 -3.465 1.00 0.00 N ATOM 1616 CA ASP A 99 -0.977 13.573 -2.354 1.00 0.00 C ATOM 1617 C ASP A 99 -0.206 13.900 -1.078 1.00 0.00 C ATOM 1618 O ASP A 99 -0.047 13.064 -0.188 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.869 12.351 -2.126 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.147 12.408 -2.940 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -3.842 13.444 -2.880 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -3.452 11.416 -3.635 1.00 0.00 O ATOM 0 H ASP A 99 0.689 12.678 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.603 14.428 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.316 11.448 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.119 12.279 -1.067 1.00 0.00 H new ATOM 1627 N PRO A 100 0.286 15.144 -0.986 1.00 0.00 N ATOM 1628 CA PRO A 100 1.049 15.610 0.176 1.00 0.00 C ATOM 1629 C PRO A 100 0.180 15.758 1.420 1.00 0.00 C ATOM 1630 O PRO A 100 0.674 16.075 2.500 1.00 0.00 O ATOM 1631 CB PRO A 100 1.578 16.975 -0.271 1.00 0.00 C ATOM 1632 CG PRO A 100 0.612 17.434 -1.309 1.00 0.00 C ATOM 1633 CD PRO A 100 0.135 16.192 -2.010 1.00 0.00 C ATOM 0 HA PRO A 100 1.831 14.905 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.624 17.674 0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.587 16.895 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.222 17.971 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 100 1.089 18.119 -2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.900 16.288 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.731 15.977 -2.897 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.119 15.523 1.259 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.058 15.630 2.369 1.00 0.00 C ATOM 1643 C ASN A 101 -2.153 14.311 3.131 1.00 0.00 C ATOM 1644 O ASN A 101 -2.223 14.296 4.359 1.00 0.00 O ATOM 1645 CB ASN A 101 -3.441 16.037 1.859 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.040 15.003 0.924 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.318 14.269 0.250 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.365 14.944 0.879 1.00 0.00 N ATOM 0 H ASN A 101 -1.544 15.257 0.371 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.689 16.397 3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.109 16.186 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.367 16.993 1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.825 14.270 0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.923 15.573 1.456 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.153 13.207 2.391 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.238 11.882 2.996 1.00 0.00 C ATOM 1657 C ASN A 102 -3.585 11.685 3.686 1.00 0.00 C ATOM 1658 O ASN A 102 -3.647 11.298 4.853 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.104 11.685 4.004 1.00 0.00 C ATOM 1660 CG ASN A 102 0.175 12.380 3.578 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.917 11.877 2.733 1.00 0.00 O ATOM 1662 ND2 ASN A 102 0.439 13.543 4.163 1.00 0.00 N ATOM 0 H ASN A 102 -2.095 13.203 1.373 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.143 11.141 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.415 12.067 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.912 10.619 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.285 14.057 3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.204 13.922 4.858 1.00 0.00 H new ATOM 1669 N VAL A 103 -4.663 11.953 2.955 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.009 11.804 3.494 1.00 0.00 C ATOM 1671 C VAL A 103 -6.805 10.770 2.706 1.00 0.00 C ATOM 1672 O VAL A 103 -7.862 10.317 3.148 1.00 0.00 O ATOM 1673 CB VAL A 103 -6.772 13.142 3.479 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -8.084 13.017 4.238 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -5.911 14.252 4.064 1.00 0.00 C ATOM 0 H VAL A 103 -4.630 12.275 1.988 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.901 11.468 4.525 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.002 13.398 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.609 13.972 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.703 12.252 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.881 12.738 5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.465 15.190 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.649 14.005 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.001 14.357 3.473 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.290 10.398 1.539 1.00 0.00 N ATOM 1686 CA ILE A 104 -6.952 9.415 0.691 1.00 0.00 C ATOM 1687 C ILE A 104 -6.477 8.002 1.014 1.00 0.00 C ATOM 1688 O ILE A 104 -7.263 7.053 0.992 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.701 9.700 -0.802 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.294 11.055 -1.191 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.292 8.591 -1.659 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.404 12.227 -0.841 1.00 0.00 C ATOM 0 H ILE A 104 -5.416 10.763 1.159 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.020 9.492 0.893 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.625 9.732 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.487 11.063 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.256 11.178 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.107 8.806 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.827 7.641 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.366 8.530 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.888 13.155 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.231 12.244 0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.451 12.128 -1.360 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.190 7.870 1.316 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.612 6.573 1.646 1.00 0.00 C ATOM 1706 C ILE A 105 -5.395 5.891 2.762 1.00 0.00 C ATOM 1707 O ILE A 105 -5.332 4.673 2.923 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.139 6.706 2.075 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.033 7.516 3.369 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.322 7.356 0.968 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.312 6.703 4.614 1.00 0.00 C ATOM 0 H ILE A 105 -4.528 8.645 1.339 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.665 5.965 0.743 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.738 5.709 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.033 7.943 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.733 8.350 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.283 7.443 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.376 6.743 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.721 8.348 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.219 7.340 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.323 6.298 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.596 5.884 4.682 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.135 6.685 3.530 1.00 0.00 N ATOM 1724 CA GLU A 106 -6.932 6.157 4.631 1.00 0.00 C ATOM 1725 C GLU A 106 -8.406 6.077 4.247 1.00 0.00 C ATOM 1726 O GLU A 106 -9.165 7.024 4.454 1.00 0.00 O ATOM 1727 CB GLU A 106 -6.765 7.031 5.877 1.00 0.00 C ATOM 1728 CG GLU A 106 -6.857 8.520 5.591 1.00 0.00 C ATOM 1729 CD GLU A 106 -6.856 9.358 6.854 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -6.088 9.030 7.784 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -7.623 10.341 6.915 1.00 0.00 O ATOM 0 H GLU A 106 -6.199 7.696 3.410 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.577 5.150 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.530 6.761 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.799 6.816 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.018 8.818 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.767 8.722 5.026 1.00 0.00 H new