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 70 LYS NZ :NH3+ 158:sc= 0.441 (180deg=-0.339) USER MOD Set 1.2: A 102 ASN : amide:sc= -1.45 X(o=-1,f=-1) USER MOD Set 2.1: A 50 SER OG : rot -115:sc= 0.0452 USER MOD Set 2.2: A 52 CYS SG : rot 57:sc= 0.0678 USER MOD Set 3.1: A 48 HIS : no HD1:sc= -0.493 K(o=-1.9,f=-3.5) USER MOD Set 3.2: A 86 SER OG : rot 89:sc= -1.43! USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.57) USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 63:sc= -0.427! USER MOD Single : A 20 GLN : amide:sc= -3.94 K(o=-3.9,f=-5.5!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 134:sc= -0.0782 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -79:sc= -3.69 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.16) USER MOD Single : A 41 GLN : amide:sc= -2.63 K(o=-2.6,f=-11!) USER MOD Single : A 49 MET CE :methyl -123:sc= -0.743 (180deg=-1.42) USER MOD Single : A 51 SER OG : rot 180:sc= -0.206 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 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= -0.0168 X(o=-0.017,f=-0.37) 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 87 MET CE :methyl 152:sc= -2.37! (180deg=-4.35!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0774 K(o=-0.077,f=-3.8!) USER MOD Single : A 92 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc=-0.00197 K(o=-0.002,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.177 1.450 8.516 1.00 0.00 N ATOM 229 CA LEU A 12 13.137 1.880 7.587 1.00 0.00 C ATOM 230 C LEU A 12 12.941 3.391 7.651 1.00 0.00 C ATOM 231 O LEU A 12 13.248 4.040 8.650 1.00 0.00 O ATOM 232 CB LEU A 12 11.820 1.169 7.902 1.00 0.00 C ATOM 233 CG LEU A 12 11.728 -0.296 7.475 1.00 0.00 C ATOM 234 CD1 LEU A 12 10.320 -0.829 7.689 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.145 -0.454 6.020 1.00 0.00 C ATOM 0 HA LEU A 12 13.453 1.616 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.649 1.224 8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.010 1.718 7.421 1.00 0.00 H new ATOM 0 HG LEU A 12 12.411 -0.878 8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.275 -1.873 7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.058 -0.752 8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.616 -0.244 7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.073 -1.503 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.488 0.141 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.173 -0.114 5.897 1.00 0.00 H new ATOM 247 N PRO A 13 12.414 3.965 6.559 1.00 0.00 N ATOM 248 CA PRO A 13 12.161 5.406 6.466 1.00 0.00 C ATOM 249 C PRO A 13 11.020 5.855 7.372 1.00 0.00 C ATOM 250 O PRO A 13 10.450 5.052 8.111 1.00 0.00 O ATOM 251 CB PRO A 13 11.787 5.607 4.995 1.00 0.00 C ATOM 252 CG PRO A 13 11.254 4.287 4.557 1.00 0.00 C ATOM 253 CD PRO A 13 12.023 3.253 5.331 1.00 0.00 C ATOM 0 HA PRO A 13 13.023 5.992 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.041 6.393 4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.654 5.901 4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.186 4.211 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.386 4.149 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.411 2.379 5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.893 2.901 4.777 1.00 0.00 H new ATOM 261 N ALA A 14 10.693 7.141 7.311 1.00 0.00 N ATOM 262 CA ALA A 14 9.617 7.695 8.125 1.00 0.00 C ATOM 263 C ALA A 14 8.276 7.598 7.403 1.00 0.00 C ATOM 264 O ALA A 14 8.217 7.221 6.233 1.00 0.00 O ATOM 265 CB ALA A 14 9.920 9.141 8.487 1.00 0.00 C ATOM 0 H ALA A 14 11.157 7.819 6.707 1.00 0.00 H new ATOM 0 HA ALA A 14 9.550 7.109 9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.109 9.542 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.852 9.187 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.017 9.732 7.576 1.00 0.00 H new ATOM 271 N LEU A 15 7.205 7.942 8.108 1.00 0.00 N ATOM 272 CA LEU A 15 5.864 7.892 7.535 1.00 0.00 C ATOM 273 C LEU A 15 5.706 8.934 6.432 1.00 0.00 C ATOM 274 O LEU A 15 6.230 10.044 6.532 1.00 0.00 O ATOM 275 CB LEU A 15 4.814 8.122 8.623 1.00 0.00 C ATOM 276 CG LEU A 15 3.369 7.798 8.241 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.251 6.354 7.779 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.436 8.061 9.413 1.00 0.00 C ATOM 0 H LEU A 15 7.238 8.259 9.077 1.00 0.00 H new ATOM 0 HA LEU A 15 5.717 6.903 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.082 7.521 9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.862 9.167 8.931 1.00 0.00 H new ATOM 0 HG LEU A 15 3.077 8.448 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.216 6.141 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.890 6.197 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.562 5.688 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.412 7.825 9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.727 7.436 10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.499 9.111 9.700 1.00 0.00 H new ATOM 290 N TYR A 16 4.978 8.570 5.382 1.00 0.00 N ATOM 291 CA TYR A 16 4.750 9.473 4.260 1.00 0.00 C ATOM 292 C TYR A 16 6.058 9.793 3.544 1.00 0.00 C ATOM 293 O TYR A 16 6.200 10.848 2.925 1.00 0.00 O ATOM 294 CB TYR A 16 4.091 10.766 4.744 1.00 0.00 C ATOM 295 CG TYR A 16 2.784 10.544 5.470 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.938 9.499 5.117 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.394 11.379 6.510 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.743 9.294 5.778 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.201 11.180 7.177 1.00 0.00 C ATOM 300 CZ TYR A 16 0.378 10.136 6.807 1.00 0.00 C ATOM 301 OH TYR A 16 -0.812 9.935 7.468 1.00 0.00 O ATOM 0 H TYR A 16 4.536 7.656 5.284 1.00 0.00 H new ATOM 0 HA TYR A 16 4.084 8.975 3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.780 11.290 5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.915 11.417 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.220 8.836 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.035 12.198 6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.097 8.478 5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.914 11.838 7.984 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.917 10.615 8.166 1.00 0.00 H new ATOM 311 N THR A 17 7.014 8.873 3.632 1.00 0.00 N ATOM 312 CA THR A 17 8.312 9.056 2.995 1.00 0.00 C ATOM 313 C THR A 17 8.297 8.537 1.561 1.00 0.00 C ATOM 314 O THR A 17 7.773 7.457 1.288 1.00 0.00 O ATOM 315 CB THR A 17 9.428 8.339 3.777 1.00 0.00 C ATOM 316 OG1 THR A 17 9.570 8.924 5.076 1.00 0.00 O ATOM 317 CG2 THR A 17 10.751 8.421 3.031 1.00 0.00 C ATOM 0 H THR A 17 6.913 7.993 4.139 1.00 0.00 H new ATOM 0 HA THR A 17 8.514 10.127 2.990 1.00 0.00 H new ATOM 0 HB THR A 17 9.152 7.290 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.742 8.796 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.524 7.908 3.603 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.648 7.948 2.054 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.031 9.466 2.900 1.00 0.00 H new ATOM 325 N ILE A 18 8.877 9.312 0.651 1.00 0.00 N ATOM 326 CA ILE A 18 8.933 8.928 -0.754 1.00 0.00 C ATOM 327 C ILE A 18 10.323 8.428 -1.133 1.00 0.00 C ATOM 328 O ILE A 18 11.324 9.100 -0.889 1.00 0.00 O ATOM 329 CB ILE A 18 8.554 10.104 -1.674 1.00 0.00 C ATOM 330 CG1 ILE A 18 7.110 10.537 -1.415 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.743 9.716 -3.133 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.675 11.721 -2.250 1.00 0.00 C ATOM 0 H ILE A 18 9.315 10.209 0.861 1.00 0.00 H new ATOM 0 HA ILE A 18 8.211 8.123 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 18 9.211 10.946 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.446 9.697 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.998 10.786 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.471 10.557 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.786 9.451 -3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.107 8.862 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.641 11.973 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.315 12.575 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.755 11.469 -3.308 1.00 0.00 H new ATOM 344 N PHE A 19 10.375 7.243 -1.734 1.00 0.00 N ATOM 345 CA PHE A 19 11.642 6.652 -2.149 1.00 0.00 C ATOM 346 C PHE A 19 11.450 5.745 -3.360 1.00 0.00 C ATOM 347 O PHE A 19 10.341 5.283 -3.631 1.00 0.00 O ATOM 348 CB PHE A 19 12.261 5.858 -0.996 1.00 0.00 C ATOM 349 CG PHE A 19 11.281 4.964 -0.290 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.855 3.783 -0.878 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.787 5.304 0.958 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.955 2.958 -0.232 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.886 4.482 1.608 1.00 0.00 C ATOM 354 CZ PHE A 19 9.468 3.308 1.012 1.00 0.00 C ATOM 0 H PHE A 19 9.555 6.674 -1.944 1.00 0.00 H new ATOM 0 HA PHE A 19 12.317 7.461 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.081 5.252 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.690 6.554 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.231 3.505 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.109 6.221 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.632 2.040 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.509 4.757 2.582 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.762 2.666 1.518 1.00 0.00 H new ATOM 364 N GLN A 20 12.535 5.496 -4.084 1.00 0.00 N ATOM 365 CA GLN A 20 12.486 4.645 -5.268 1.00 0.00 C ATOM 366 C GLN A 20 12.864 3.209 -4.922 1.00 0.00 C ATOM 367 O GLN A 20 13.941 2.952 -4.387 1.00 0.00 O ATOM 368 CB GLN A 20 13.420 5.185 -6.350 1.00 0.00 C ATOM 369 CG GLN A 20 12.952 4.885 -7.764 1.00 0.00 C ATOM 370 CD GLN A 20 13.598 5.787 -8.798 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.621 6.420 -8.533 1.00 0.00 O ATOM 372 NE2 GLN A 20 13.005 5.851 -9.983 1.00 0.00 N ATOM 0 H GLN A 20 13.460 5.871 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 20 11.464 4.651 -5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.516 6.264 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.413 4.759 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.176 3.846 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.869 4.998 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.159 5.310 -10.160 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.395 6.442 -10.717 1.00 0.00 H new ATOM 381 N GLY A 21 11.969 2.275 -5.232 1.00 0.00 N ATOM 382 CA GLY A 21 12.228 0.876 -4.945 1.00 0.00 C ATOM 383 C GLY A 21 11.995 -0.015 -6.149 1.00 0.00 C ATOM 384 O GLY A 21 11.360 0.398 -7.120 1.00 0.00 O ATOM 0 H GLY A 21 11.070 2.462 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.258 0.762 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.586 0.551 -4.127 1.00 0.00 H new ATOM 388 N GLU A 22 12.511 -1.238 -6.088 1.00 0.00 N ATOM 389 CA GLU A 22 12.357 -2.188 -7.184 1.00 0.00 C ATOM 390 C GLU A 22 11.447 -3.344 -6.778 1.00 0.00 C ATOM 391 O GLU A 22 11.498 -3.821 -5.645 1.00 0.00 O ATOM 392 CB GLU A 22 13.722 -2.727 -7.616 1.00 0.00 C ATOM 393 CG GLU A 22 13.637 -3.861 -8.624 1.00 0.00 C ATOM 394 CD GLU A 22 14.847 -4.774 -8.579 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.952 -4.313 -8.935 1.00 0.00 O ATOM 396 OE2 GLU A 22 14.689 -5.949 -8.187 1.00 0.00 O ATOM 0 H GLU A 22 13.039 -1.595 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 22 11.899 -1.665 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.305 -1.913 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.261 -3.075 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.738 -4.446 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.538 -3.444 -9.626 1.00 0.00 H new ATOM 403 N VAL A 23 10.613 -3.788 -7.713 1.00 0.00 N ATOM 404 CA VAL A 23 9.690 -4.887 -7.455 1.00 0.00 C ATOM 405 C VAL A 23 10.443 -6.189 -7.206 1.00 0.00 C ATOM 406 O VAL A 23 11.346 -6.551 -7.962 1.00 0.00 O ATOM 407 CB VAL A 23 8.713 -5.088 -8.629 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.981 -6.414 -8.494 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.729 -3.931 -8.707 1.00 0.00 C ATOM 0 H VAL A 23 10.558 -3.403 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 23 9.123 -4.621 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 23 9.286 -5.110 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.295 -6.538 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.704 -7.230 -8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.418 -6.426 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.046 -4.090 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.160 -3.874 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.274 -2.999 -8.856 1.00 0.00 H new ATOM 419 N ALA A 24 10.067 -6.891 -6.142 1.00 0.00 N ATOM 420 CA ALA A 24 10.704 -8.155 -5.796 1.00 0.00 C ATOM 421 C ALA A 24 9.695 -9.299 -5.802 1.00 0.00 C ATOM 422 O ALA A 24 10.066 -10.464 -5.939 1.00 0.00 O ATOM 423 CB ALA A 24 11.377 -8.050 -4.435 1.00 0.00 C ATOM 0 H ALA A 24 9.324 -6.605 -5.505 1.00 0.00 H new ATOM 0 HA ALA A 24 11.462 -8.370 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.849 -9.001 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.133 -7.266 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.631 -7.808 -3.678 1.00 0.00 H new ATOM 429 N MET A 25 8.421 -8.958 -5.652 1.00 0.00 N ATOM 430 CA MET A 25 7.358 -9.957 -5.641 1.00 0.00 C ATOM 431 C MET A 25 6.071 -9.390 -6.231 1.00 0.00 C ATOM 432 O MET A 25 5.713 -8.240 -5.974 1.00 0.00 O ATOM 433 CB MET A 25 7.106 -10.449 -4.214 1.00 0.00 C ATOM 434 CG MET A 25 6.306 -11.739 -4.148 1.00 0.00 C ATOM 435 SD MET A 25 6.711 -12.735 -2.701 1.00 0.00 S ATOM 436 CE MET A 25 5.075 -13.183 -2.129 1.00 0.00 C ATOM 0 H MET A 25 8.098 -7.997 -5.536 1.00 0.00 H new ATOM 0 HA MET A 25 7.678 -10.798 -6.256 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.064 -10.599 -3.716 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.577 -9.674 -3.660 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.242 -11.502 -4.135 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.491 -12.323 -5.049 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.159 -13.803 -1.236 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.512 -12.280 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.556 -13.740 -2.910 1.00 0.00 H new ATOM 446 N VAL A 26 5.380 -10.202 -7.024 1.00 0.00 N ATOM 447 CA VAL A 26 4.133 -9.782 -7.649 1.00 0.00 C ATOM 448 C VAL A 26 2.986 -10.713 -7.271 1.00 0.00 C ATOM 449 O VAL A 26 3.062 -11.925 -7.476 1.00 0.00 O ATOM 450 CB VAL A 26 4.260 -9.739 -9.183 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.916 -9.426 -9.824 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.310 -8.721 -9.602 1.00 0.00 C ATOM 0 H VAL A 26 5.664 -11.156 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 26 3.918 -8.779 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 26 4.580 -10.721 -9.530 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.027 -9.400 -10.908 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.195 -10.196 -9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.562 -8.457 -9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.387 -8.704 -10.689 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.022 -7.733 -9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.274 -8.996 -9.175 1.00 0.00 H new ATOM 462 N THR A 27 1.923 -10.140 -6.717 1.00 0.00 N ATOM 463 CA THR A 27 0.760 -10.918 -6.309 1.00 0.00 C ATOM 464 C THR A 27 -0.527 -10.310 -6.853 1.00 0.00 C ATOM 465 O THR A 27 -0.560 -9.139 -7.233 1.00 0.00 O ATOM 466 CB THR A 27 0.659 -11.015 -4.775 1.00 0.00 C ATOM 467 OG1 THR A 27 0.455 -9.714 -4.214 1.00 0.00 O ATOM 468 CG2 THR A 27 1.919 -11.635 -4.188 1.00 0.00 C ATOM 0 H THR A 27 1.843 -9.139 -6.540 1.00 0.00 H new ATOM 0 HA THR A 27 0.889 -11.918 -6.722 1.00 0.00 H new ATOM 0 HB THR A 27 -0.190 -11.653 -4.528 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.260 -9.755 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.825 -11.693 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.055 -12.637 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.781 -11.019 -4.445 1.00 0.00 H new ATOM 476 N ASP A 28 -1.586 -11.112 -6.890 1.00 0.00 N ATOM 477 CA ASP A 28 -2.878 -10.652 -7.387 1.00 0.00 C ATOM 478 C ASP A 28 -3.521 -9.676 -6.406 1.00 0.00 C ATOM 479 O ASP A 28 -4.594 -9.133 -6.669 1.00 0.00 O ATOM 480 CB ASP A 28 -3.809 -11.841 -7.628 1.00 0.00 C ATOM 481 CG ASP A 28 -3.202 -12.871 -8.560 1.00 0.00 C ATOM 482 OD1 ASP A 28 -2.532 -12.468 -9.534 1.00 0.00 O ATOM 483 OD2 ASP A 28 -3.397 -14.081 -8.316 1.00 0.00 O ATOM 0 H ASP A 28 -1.575 -12.084 -6.582 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.713 -10.134 -8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.046 -12.313 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.749 -11.484 -8.049 1.00 0.00 H new ATOM 488 N TYR A 29 -2.859 -9.459 -5.276 1.00 0.00 N ATOM 489 CA TYR A 29 -3.368 -8.552 -4.254 1.00 0.00 C ATOM 490 C TYR A 29 -2.386 -7.413 -3.999 1.00 0.00 C ATOM 491 O TYR A 29 -2.533 -6.654 -3.041 1.00 0.00 O ATOM 492 CB TYR A 29 -3.633 -9.312 -2.953 1.00 0.00 C ATOM 493 CG TYR A 29 -2.458 -10.139 -2.484 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.315 -9.533 -1.977 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.489 -11.527 -2.547 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.237 -10.283 -1.548 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.417 -12.286 -2.119 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.294 -11.660 -1.621 1.00 0.00 C ATOM 499 OH TYR A 29 0.777 -12.412 -1.193 1.00 0.00 O ATOM 0 H TYR A 29 -1.968 -9.899 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.304 -8.127 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.898 -8.598 -2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.494 -9.966 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.268 -8.456 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.367 -12.021 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.644 -9.795 -1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.458 -13.364 -2.174 1.00 0.00 H new ATOM 0 HH TYR A 29 0.576 -13.364 -1.311 1.00 0.00 H new ATOM 509 N GLY A 30 -1.383 -7.300 -4.863 1.00 0.00 N ATOM 510 CA GLY A 30 -0.391 -6.250 -4.717 1.00 0.00 C ATOM 511 C GLY A 30 1.002 -6.712 -5.099 1.00 0.00 C ATOM 512 O GLY A 30 1.180 -7.823 -5.596 1.00 0.00 O ATOM 0 H GLY A 30 -1.239 -7.917 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.672 -5.400 -5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.385 -5.901 -3.684 1.00 0.00 H new ATOM 516 N ALA A 31 1.992 -5.856 -4.867 1.00 0.00 N ATOM 517 CA ALA A 31 3.374 -6.182 -5.190 1.00 0.00 C ATOM 518 C ALA A 31 4.324 -5.677 -4.109 1.00 0.00 C ATOM 519 O ALA A 31 4.044 -4.686 -3.435 1.00 0.00 O ATOM 520 CB ALA A 31 3.753 -5.597 -6.543 1.00 0.00 C ATOM 0 H ALA A 31 1.862 -4.931 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 31 3.463 -7.267 -5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.789 -5.849 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.101 -6.009 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.641 -4.513 -6.515 1.00 0.00 H new ATOM 526 N PHE A 32 5.450 -6.365 -3.948 1.00 0.00 N ATOM 527 CA PHE A 32 6.441 -5.988 -2.948 1.00 0.00 C ATOM 528 C PHE A 32 7.501 -5.069 -3.550 1.00 0.00 C ATOM 529 O PHE A 32 8.003 -5.320 -4.645 1.00 0.00 O ATOM 530 CB PHE A 32 7.105 -7.234 -2.361 1.00 0.00 C ATOM 531 CG PHE A 32 6.198 -8.034 -1.470 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.015 -8.563 -1.960 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.529 -8.258 -0.144 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.178 -9.300 -1.143 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.696 -8.994 0.678 1.00 0.00 C ATOM 536 CZ PHE A 32 4.518 -9.515 0.178 1.00 0.00 C ATOM 0 H PHE A 32 5.698 -7.187 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 32 5.928 -5.449 -2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.452 -7.869 -3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.986 -6.933 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.744 -8.398 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.448 -7.853 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.259 -9.707 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.966 -9.162 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.865 -10.089 0.819 1.00 0.00 H new ATOM 546 N ILE A 33 7.832 -4.004 -2.828 1.00 0.00 N ATOM 547 CA ILE A 33 8.831 -3.049 -3.290 1.00 0.00 C ATOM 548 C ILE A 33 10.019 -2.991 -2.336 1.00 0.00 C ATOM 549 O ILE A 33 9.861 -2.722 -1.145 1.00 0.00 O ATOM 550 CB ILE A 33 8.234 -1.636 -3.435 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.001 -1.671 -4.343 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.277 -0.675 -3.985 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.293 -2.177 -5.738 1.00 0.00 C ATOM 0 H ILE A 33 7.423 -3.781 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 33 9.169 -3.394 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 33 7.927 -1.283 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.241 -2.306 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.580 -0.668 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.841 0.319 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.128 -0.633 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.611 -1.021 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.375 -2.175 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.029 -1.529 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.685 -3.192 -5.682 1.00 0.00 H new ATOM 565 N LYS A 34 11.210 -3.243 -2.867 1.00 0.00 N ATOM 566 CA LYS A 34 12.428 -3.217 -2.065 1.00 0.00 C ATOM 567 C LYS A 34 12.839 -1.782 -1.750 1.00 0.00 C ATOM 568 O LYS A 34 12.863 -0.924 -2.632 1.00 0.00 O ATOM 569 CB LYS A 34 13.562 -3.934 -2.800 1.00 0.00 C ATOM 570 CG LYS A 34 13.347 -5.432 -2.936 1.00 0.00 C ATOM 571 CD LYS A 34 14.644 -6.155 -3.256 1.00 0.00 C ATOM 572 CE LYS A 34 14.646 -7.570 -2.698 1.00 0.00 C ATOM 573 NZ LYS A 34 15.694 -8.416 -3.333 1.00 0.00 N ATOM 0 H LYS A 34 11.358 -3.468 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 34 12.228 -3.734 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.672 -3.499 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.497 -3.756 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.929 -5.826 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.618 -5.626 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.786 -6.189 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.484 -5.598 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.811 -7.535 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.668 -8.024 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.662 -9.372 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.523 -8.470 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.630 -7.997 -3.160 1.00 0.00 H new ATOM 587 N ILE A 35 13.165 -1.530 -0.486 1.00 0.00 N ATOM 588 CA ILE A 35 13.579 -0.200 -0.056 1.00 0.00 C ATOM 589 C ILE A 35 15.089 -0.028 -0.177 1.00 0.00 C ATOM 590 O ILE A 35 15.872 -0.872 0.258 1.00 0.00 O ATOM 591 CB ILE A 35 13.158 0.076 1.400 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.634 0.045 1.528 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.706 1.417 1.865 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.150 -0.164 2.946 1.00 0.00 C ATOM 0 H ILE A 35 13.150 -2.229 0.257 1.00 0.00 H new ATOM 0 HA ILE A 35 13.081 0.513 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 35 13.574 -0.705 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.227 0.982 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.241 -0.752 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.400 1.598 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.794 1.405 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.317 2.210 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.060 -0.175 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.528 -1.114 3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.513 0.647 3.578 1.00 0.00 H new ATOM 606 N PRO A 36 15.509 1.093 -0.782 1.00 0.00 N ATOM 607 CA PRO A 36 16.929 1.404 -0.973 1.00 0.00 C ATOM 608 C PRO A 36 17.633 1.731 0.338 1.00 0.00 C ATOM 609 O PRO A 36 17.173 2.574 1.107 1.00 0.00 O ATOM 610 CB PRO A 36 16.904 2.631 -1.887 1.00 0.00 C ATOM 611 CG PRO A 36 15.582 3.269 -1.629 1.00 0.00 C ATOM 612 CD PRO A 36 14.632 2.143 -1.326 1.00 0.00 C ATOM 0 HA PRO A 36 17.479 0.558 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.724 3.312 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.009 2.347 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.641 3.966 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.248 3.839 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.870 2.443 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.110 1.806 -2.221 1.00 0.00 H new ATOM 620 N GLY A 37 18.753 1.059 0.589 1.00 0.00 N ATOM 621 CA GLY A 37 19.502 1.293 1.809 1.00 0.00 C ATOM 622 C GLY A 37 18.956 0.507 2.986 1.00 0.00 C ATOM 623 O GLY A 37 19.717 0.018 3.821 1.00 0.00 O ATOM 0 H GLY A 37 19.155 0.356 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.546 1.022 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.481 2.357 2.046 1.00 0.00 H new ATOM 627 N CYS A 38 17.634 0.386 3.051 1.00 0.00 N ATOM 628 CA CYS A 38 16.987 -0.344 4.135 1.00 0.00 C ATOM 629 C CYS A 38 17.081 -1.849 3.909 1.00 0.00 C ATOM 630 O CYS A 38 17.672 -2.304 2.930 1.00 0.00 O ATOM 631 CB CYS A 38 15.521 0.075 4.254 1.00 0.00 C ATOM 632 SG CYS A 38 15.283 1.797 4.751 1.00 0.00 S ATOM 0 H CYS A 38 16.991 0.784 2.367 1.00 0.00 H new ATOM 0 HA CYS A 38 17.504 -0.102 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.029 -0.086 3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.027 -0.573 4.978 1.00 0.00 H new ATOM 0 HG CYS A 38 15.454 1.906 6.035 1.00 0.00 H new ATOM 638 N ARG A 39 16.496 -2.617 4.823 1.00 0.00 N ATOM 639 CA ARG A 39 16.517 -4.071 4.725 1.00 0.00 C ATOM 640 C ARG A 39 15.109 -4.623 4.523 1.00 0.00 C ATOM 641 O ARG A 39 14.880 -5.471 3.660 1.00 0.00 O ATOM 642 CB ARG A 39 17.139 -4.680 5.984 1.00 0.00 C ATOM 643 CG ARG A 39 17.565 -6.128 5.813 1.00 0.00 C ATOM 644 CD ARG A 39 18.863 -6.240 5.030 1.00 0.00 C ATOM 645 NE ARG A 39 18.646 -6.118 3.591 1.00 0.00 N ATOM 646 CZ ARG A 39 18.009 -7.030 2.864 1.00 0.00 C ATOM 647 NH1 ARG A 39 17.529 -8.123 3.439 1.00 0.00 N ATOM 648 NH2 ARG A 39 17.852 -6.849 1.559 1.00 0.00 N ATOM 0 H ARG A 39 16.002 -2.256 5.639 1.00 0.00 H new ATOM 0 HA ARG A 39 17.123 -4.343 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.006 -4.087 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.421 -4.615 6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.689 -6.590 6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.779 -6.681 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.553 -5.464 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.335 -7.199 5.246 1.00 0.00 H new ATOM 0 HE ARG A 39 19.003 -5.288 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.648 -8.266 4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.040 -8.821 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.220 -6.009 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.363 -7.550 1.002 1.00 0.00 H new ATOM 662 N LYS A 40 14.168 -4.136 5.326 1.00 0.00 N ATOM 663 CA LYS A 40 12.782 -4.579 5.236 1.00 0.00 C ATOM 664 C LYS A 40 12.105 -4.000 3.998 1.00 0.00 C ATOM 665 O LYS A 40 12.484 -2.934 3.514 1.00 0.00 O ATOM 666 CB LYS A 40 12.011 -4.167 6.492 1.00 0.00 C ATOM 667 CG LYS A 40 10.569 -4.642 6.504 1.00 0.00 C ATOM 668 CD LYS A 40 10.473 -6.125 6.823 1.00 0.00 C ATOM 669 CE LYS A 40 10.652 -6.387 8.311 1.00 0.00 C ATOM 670 NZ LYS A 40 10.340 -7.799 8.666 1.00 0.00 N ATOM 0 H LYS A 40 14.341 -3.435 6.046 1.00 0.00 H new ATOM 0 HA LYS A 40 12.779 -5.666 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.523 -4.564 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.027 -3.081 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.004 -4.073 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.113 -4.447 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.505 -6.506 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.233 -6.669 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.678 -6.158 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.005 -5.718 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.709 -8.008 9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.310 -7.940 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.783 -8.437 7.974 1.00 0.00 H new ATOM 684 N GLN A 41 11.101 -4.709 3.492 1.00 0.00 N ATOM 685 CA GLN A 41 10.371 -4.263 2.312 1.00 0.00 C ATOM 686 C GLN A 41 8.911 -3.978 2.648 1.00 0.00 C ATOM 687 O GLN A 41 8.426 -4.351 3.716 1.00 0.00 O ATOM 688 CB GLN A 41 10.455 -5.317 1.206 1.00 0.00 C ATOM 689 CG GLN A 41 11.859 -5.512 0.656 1.00 0.00 C ATOM 690 CD GLN A 41 12.638 -6.575 1.407 1.00 0.00 C ATOM 691 OE1 GLN A 41 12.948 -6.415 2.588 1.00 0.00 O ATOM 692 NE2 GLN A 41 12.957 -7.667 0.723 1.00 0.00 N ATOM 0 H GLN A 41 10.775 -5.594 3.881 1.00 0.00 H new ATOM 0 HA GLN A 41 10.830 -3.339 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.090 -6.268 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.791 -5.030 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.798 -5.788 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.400 -4.567 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.679 -7.756 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.480 -8.417 1.175 1.00 0.00 H new ATOM 701 N GLY A 42 8.215 -3.315 1.730 1.00 0.00 N ATOM 702 CA GLY A 42 6.817 -2.991 1.949 1.00 0.00 C ATOM 703 C GLY A 42 5.916 -3.555 0.869 1.00 0.00 C ATOM 704 O GLY A 42 6.354 -3.784 -0.259 1.00 0.00 O ATOM 0 H GLY A 42 8.594 -2.996 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.505 -3.380 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.700 -1.908 1.987 1.00 0.00 H new ATOM 708 N LEU A 43 4.652 -3.781 1.213 1.00 0.00 N ATOM 709 CA LEU A 43 3.686 -4.323 0.264 1.00 0.00 C ATOM 710 C LEU A 43 2.771 -3.225 -0.269 1.00 0.00 C ATOM 711 O LEU A 43 2.311 -2.366 0.485 1.00 0.00 O ATOM 712 CB LEU A 43 2.852 -5.421 0.926 1.00 0.00 C ATOM 713 CG LEU A 43 1.587 -5.846 0.180 1.00 0.00 C ATOM 714 CD1 LEU A 43 1.934 -6.793 -0.959 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.598 -6.497 1.134 1.00 0.00 C ATOM 0 H LEU A 43 4.273 -3.597 2.142 1.00 0.00 H new ATOM 0 HA LEU A 43 4.237 -4.749 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.484 -6.299 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.566 -5.081 1.921 1.00 0.00 H new ATOM 0 HG LEU A 43 1.120 -4.956 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.022 -7.086 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.605 -6.292 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.424 -7.680 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.296 -6.793 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.054 -7.378 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.326 -5.788 1.916 1.00 0.00 H new ATOM 727 N VAL A 44 2.508 -3.260 -1.571 1.00 0.00 N ATOM 728 CA VAL A 44 1.645 -2.270 -2.204 1.00 0.00 C ATOM 729 C VAL A 44 0.334 -2.898 -2.664 1.00 0.00 C ATOM 730 O VAL A 44 0.284 -3.576 -3.691 1.00 0.00 O ATOM 731 CB VAL A 44 2.338 -1.612 -3.412 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.372 -0.696 -4.147 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.575 -0.848 -2.966 1.00 0.00 C ATOM 0 H VAL A 44 2.880 -3.964 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 44 1.436 -1.507 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 44 2.653 -2.397 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.879 -0.240 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.519 -1.275 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.025 0.085 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.052 -0.390 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.287 -0.072 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.274 -1.534 -2.488 1.00 0.00 H new ATOM 743 N HIS A 45 -0.727 -2.667 -1.897 1.00 0.00 N ATOM 744 CA HIS A 45 -2.040 -3.209 -2.226 1.00 0.00 C ATOM 745 C HIS A 45 -2.423 -2.870 -3.664 1.00 0.00 C ATOM 746 O HIS A 45 -1.966 -1.871 -4.219 1.00 0.00 O ATOM 747 CB HIS A 45 -3.096 -2.664 -1.263 1.00 0.00 C ATOM 748 CG HIS A 45 -4.246 -3.600 -1.045 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.517 -3.168 -0.729 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.312 -4.950 -1.101 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.314 -4.212 -0.598 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.608 -5.307 -0.818 1.00 0.00 N ATOM 0 H HIS A 45 -0.703 -2.108 -1.044 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.993 -4.293 -2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.625 -2.450 -0.304 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.476 -1.718 -1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.497 -5.622 -1.326 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.365 -4.177 -0.353 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.967 -6.261 -0.783 1.00 0.00 H new ATOM 760 N ARG A 46 -3.263 -3.709 -4.261 1.00 0.00 N ATOM 761 CA ARG A 46 -3.706 -3.499 -5.634 1.00 0.00 C ATOM 762 C ARG A 46 -4.418 -2.158 -5.777 1.00 0.00 C ATOM 763 O ARG A 46 -4.353 -1.516 -6.826 1.00 0.00 O ATOM 764 CB ARG A 46 -4.637 -4.632 -6.071 1.00 0.00 C ATOM 765 CG ARG A 46 -5.887 -4.757 -5.216 1.00 0.00 C ATOM 766 CD ARG A 46 -7.054 -5.315 -6.015 1.00 0.00 C ATOM 767 NE ARG A 46 -8.107 -5.841 -5.151 1.00 0.00 N ATOM 768 CZ ARG A 46 -9.146 -6.538 -5.599 1.00 0.00 C ATOM 769 NH1 ARG A 46 -9.270 -6.790 -6.894 1.00 0.00 N ATOM 770 NH2 ARG A 46 -10.063 -6.983 -4.750 1.00 0.00 N ATOM 0 H ARG A 46 -3.651 -4.541 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.825 -3.493 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.931 -4.470 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.089 -5.574 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.684 -5.407 -4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.154 -3.779 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.465 -4.531 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.697 -6.106 -6.674 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.042 -5.664 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.567 -6.449 -7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.068 -7.325 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.971 -6.790 -3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.860 -7.518 -5.095 1.00 0.00 H new ATOM 784 N THR A 47 -5.099 -1.739 -4.715 1.00 0.00 N ATOM 785 CA THR A 47 -5.826 -0.475 -4.721 1.00 0.00 C ATOM 786 C THR A 47 -4.872 0.706 -4.867 1.00 0.00 C ATOM 787 O THR A 47 -5.237 1.747 -5.414 1.00 0.00 O ATOM 788 CB THR A 47 -6.654 -0.297 -3.435 1.00 0.00 C ATOM 789 OG1 THR A 47 -5.796 0.062 -2.346 1.00 0.00 O ATOM 790 CG2 THR A 47 -7.408 -1.573 -3.095 1.00 0.00 C ATOM 0 H THR A 47 -5.162 -2.257 -3.839 1.00 0.00 H new ATOM 0 HA THR A 47 -6.501 -0.502 -5.577 1.00 0.00 H new ATOM 0 HB THR A 47 -7.379 0.499 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.330 0.175 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.985 -1.422 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.082 -1.826 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.698 -2.386 -2.945 1.00 0.00 H new ATOM 798 N HIS A 48 -3.649 0.537 -4.375 1.00 0.00 N ATOM 799 CA HIS A 48 -2.642 1.590 -4.452 1.00 0.00 C ATOM 800 C HIS A 48 -1.817 1.459 -5.728 1.00 0.00 C ATOM 801 O HIS A 48 -1.361 2.457 -6.288 1.00 0.00 O ATOM 802 CB HIS A 48 -1.725 1.537 -3.230 1.00 0.00 C ATOM 803 CG HIS A 48 -2.422 1.854 -1.942 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.804 3.131 -1.590 1.00 0.00 N ATOM 805 CD2 HIS A 48 -2.808 1.052 -0.923 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.393 3.101 -0.407 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.409 1.850 0.019 1.00 0.00 N ATOM 0 H HIS A 48 -3.331 -0.318 -3.919 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.156 2.551 -4.470 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.285 0.542 -3.160 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.904 2.240 -3.372 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.669 -0.017 -0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.793 3.954 0.121 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.803 1.530 0.903 1.00 0.00 H new ATOM 815 N MET A 49 -1.627 0.225 -6.182 1.00 0.00 N ATOM 816 CA MET A 49 -0.857 -0.034 -7.392 1.00 0.00 C ATOM 817 C MET A 49 -1.238 0.944 -8.499 1.00 0.00 C ATOM 818 O MET A 49 -0.405 1.319 -9.323 1.00 0.00 O ATOM 819 CB MET A 49 -1.080 -1.471 -7.867 1.00 0.00 C ATOM 820 CG MET A 49 -0.271 -2.499 -7.093 1.00 0.00 C ATOM 821 SD MET A 49 -0.118 -4.066 -7.972 1.00 0.00 S ATOM 822 CE MET A 49 1.426 -3.816 -8.843 1.00 0.00 C ATOM 0 H MET A 49 -1.996 -0.612 -5.730 1.00 0.00 H new ATOM 0 HA MET A 49 0.198 0.104 -7.157 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.139 -1.714 -7.780 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.823 -1.540 -8.924 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.723 -2.099 -6.895 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.743 -2.674 -6.126 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.264 -3.943 -9.914 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.795 -2.809 -8.648 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.160 -4.544 -8.498 1.00 0.00 H new ATOM 832 N SER A 50 -2.502 1.354 -8.512 1.00 0.00 N ATOM 833 CA SER A 50 -2.994 2.285 -9.520 1.00 0.00 C ATOM 834 C SER A 50 -4.243 3.011 -9.026 1.00 0.00 C ATOM 835 O SER A 50 -5.045 2.450 -8.281 1.00 0.00 O ATOM 836 CB SER A 50 -3.303 1.544 -10.822 1.00 0.00 C ATOM 837 OG SER A 50 -3.599 2.454 -11.868 1.00 0.00 O ATOM 0 H SER A 50 -3.204 1.056 -7.835 1.00 0.00 H new ATOM 0 HA SER A 50 -2.215 3.024 -9.707 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.451 0.926 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.148 0.872 -10.670 1.00 0.00 H new ATOM 0 HG SER A 50 -4.531 2.338 -12.148 1.00 0.00 H new ATOM 843 N SER A 51 -4.398 4.261 -9.447 1.00 0.00 N ATOM 844 CA SER A 51 -5.545 5.067 -9.046 1.00 0.00 C ATOM 845 C SER A 51 -6.845 4.452 -9.556 1.00 0.00 C ATOM 846 O SER A 51 -7.684 4.006 -8.772 1.00 0.00 O ATOM 847 CB SER A 51 -5.403 6.496 -9.573 1.00 0.00 C ATOM 848 OG SER A 51 -4.613 7.285 -8.700 1.00 0.00 O ATOM 0 H SER A 51 -3.743 4.739 -10.066 1.00 0.00 H new ATOM 0 HA SER A 51 -5.576 5.092 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.949 6.478 -10.564 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.390 6.946 -9.683 1.00 0.00 H new ATOM 0 HG SER A 51 -4.536 8.193 -9.060 1.00 0.00 H new ATOM 854 N CYS A 52 -7.005 4.432 -10.875 1.00 0.00 N ATOM 855 CA CYS A 52 -8.202 3.872 -11.491 1.00 0.00 C ATOM 856 C CYS A 52 -8.450 2.448 -11.006 1.00 0.00 C ATOM 857 O CYS A 52 -7.741 1.948 -10.132 1.00 0.00 O ATOM 858 CB CYS A 52 -8.073 3.889 -13.015 1.00 0.00 C ATOM 859 SG CYS A 52 -6.685 2.919 -13.648 1.00 0.00 S ATOM 0 H CYS A 52 -6.321 4.797 -11.538 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.052 4.489 -11.198 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -8.997 3.509 -13.452 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.963 4.921 -13.348 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.793 1.689 -13.241 1.00 0.00 H new ATOM 865 N ARG A 53 -9.460 1.800 -11.576 1.00 0.00 N ATOM 866 CA ARG A 53 -9.803 0.434 -11.199 1.00 0.00 C ATOM 867 C ARG A 53 -8.635 -0.511 -11.463 1.00 0.00 C ATOM 868 O ARG A 53 -7.656 -0.141 -12.112 1.00 0.00 O ATOM 869 CB ARG A 53 -11.038 -0.036 -11.970 1.00 0.00 C ATOM 870 CG ARG A 53 -12.349 0.263 -11.261 1.00 0.00 C ATOM 871 CD ARG A 53 -12.668 -0.794 -10.214 1.00 0.00 C ATOM 872 NE ARG A 53 -13.690 -0.341 -9.275 1.00 0.00 N ATOM 873 CZ ARG A 53 -13.444 0.479 -8.259 1.00 0.00 C ATOM 874 NH1 ARG A 53 -12.215 0.933 -8.052 1.00 0.00 N ATOM 875 NH2 ARG A 53 -14.428 0.845 -7.447 1.00 0.00 N ATOM 0 H ARG A 53 -10.056 2.199 -12.301 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.024 0.422 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.048 0.441 -12.950 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.963 -1.110 -12.139 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.292 1.242 -10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.157 0.309 -11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.008 -1.704 -10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.760 -1.049 -9.667 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.646 -0.672 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.456 0.653 -8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.029 1.562 -7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.374 0.497 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.238 1.475 -6.667 1.00 0.00 H new ATOM 889 N VAL A 54 -8.745 -1.736 -10.957 1.00 0.00 N ATOM 890 CA VAL A 54 -7.698 -2.734 -11.137 1.00 0.00 C ATOM 891 C VAL A 54 -8.293 -4.128 -11.306 1.00 0.00 C ATOM 892 O VAL A 54 -9.180 -4.531 -10.553 1.00 0.00 O ATOM 893 CB VAL A 54 -6.722 -2.746 -9.947 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.659 -3.819 -10.137 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.081 -1.378 -9.770 1.00 0.00 C ATOM 0 H VAL A 54 -9.549 -2.060 -10.419 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.153 -2.461 -12.041 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.284 -2.980 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.979 -3.812 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.137 -4.796 -10.211 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.099 -3.619 -11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.394 -1.405 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.533 -1.113 -10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.856 -0.634 -9.584 1.00 0.00 H new ATOM 905 N ASP A 55 -7.799 -4.859 -12.299 1.00 0.00 N ATOM 906 CA ASP A 55 -8.280 -6.210 -12.567 1.00 0.00 C ATOM 907 C ASP A 55 -7.155 -7.228 -12.415 1.00 0.00 C ATOM 908 O ASP A 55 -7.373 -8.347 -11.950 1.00 0.00 O ATOM 909 CB ASP A 55 -8.874 -6.294 -13.974 1.00 0.00 C ATOM 910 CG ASP A 55 -9.581 -7.611 -14.227 1.00 0.00 C ATOM 911 OD1 ASP A 55 -10.495 -7.952 -13.450 1.00 0.00 O ATOM 912 OD2 ASP A 55 -9.217 -8.302 -15.203 1.00 0.00 O ATOM 0 H ASP A 55 -7.066 -4.539 -12.932 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.057 -6.443 -11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.578 -5.474 -14.118 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.079 -6.165 -14.709 1.00 0.00 H new ATOM 917 N LYS A 56 -5.949 -6.834 -12.811 1.00 0.00 N ATOM 918 CA LYS A 56 -4.788 -7.710 -12.719 1.00 0.00 C ATOM 919 C LYS A 56 -3.515 -6.903 -12.485 1.00 0.00 C ATOM 920 O LYS A 56 -2.985 -6.259 -13.390 1.00 0.00 O ATOM 921 CB LYS A 56 -4.650 -8.543 -13.996 1.00 0.00 C ATOM 922 CG LYS A 56 -5.399 -9.863 -13.944 1.00 0.00 C ATOM 923 CD LYS A 56 -4.741 -10.911 -14.827 1.00 0.00 C ATOM 924 CE LYS A 56 -5.135 -10.737 -16.286 1.00 0.00 C ATOM 925 NZ LYS A 56 -4.782 -11.931 -17.102 1.00 0.00 N ATOM 0 H LYS A 56 -5.751 -5.912 -13.199 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.934 -8.378 -11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.016 -7.960 -14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.594 -8.741 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.435 -10.222 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.430 -9.711 -14.264 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.658 -10.841 -14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.028 -11.906 -14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.208 -10.555 -16.353 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.637 -9.858 -16.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.067 -11.773 -18.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.755 -12.090 -17.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.277 -12.766 -16.728 1.00 0.00 H new ATOM 939 N PRO A 57 -3.009 -6.940 -11.243 1.00 0.00 N ATOM 940 CA PRO A 57 -1.791 -6.220 -10.862 1.00 0.00 C ATOM 941 C PRO A 57 -0.541 -6.822 -11.494 1.00 0.00 C ATOM 942 O PRO A 57 0.499 -6.169 -11.579 1.00 0.00 O ATOM 943 CB PRO A 57 -1.749 -6.374 -9.340 1.00 0.00 C ATOM 944 CG PRO A 57 -2.516 -7.621 -9.064 1.00 0.00 C ATOM 945 CD PRO A 57 -3.589 -7.688 -10.115 1.00 0.00 C ATOM 0 HA PRO A 57 -1.808 -5.183 -11.198 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.724 -6.452 -8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.198 -5.515 -8.843 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.868 -8.496 -9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.950 -7.599 -8.064 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.818 -8.717 -10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.519 -7.237 -9.769 1.00 0.00 H new ATOM 953 N SER A 58 -0.649 -8.071 -11.937 1.00 0.00 N ATOM 954 CA SER A 58 0.475 -8.762 -12.557 1.00 0.00 C ATOM 955 C SER A 58 0.727 -8.233 -13.965 1.00 0.00 C ATOM 956 O SER A 58 1.677 -8.641 -14.632 1.00 0.00 O ATOM 957 CB SER A 58 0.210 -10.269 -12.607 1.00 0.00 C ATOM 958 OG SER A 58 -0.852 -10.571 -13.494 1.00 0.00 O ATOM 0 H SER A 58 -1.504 -8.625 -11.878 1.00 0.00 H new ATOM 0 HA SER A 58 1.363 -8.576 -11.952 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.113 -10.790 -12.925 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.032 -10.632 -11.608 1.00 0.00 H new ATOM 0 HG SER A 58 -1.000 -11.540 -13.509 1.00 0.00 H new ATOM 964 N GLU A 59 -0.131 -7.320 -14.410 1.00 0.00 N ATOM 965 CA GLU A 59 -0.002 -6.734 -15.740 1.00 0.00 C ATOM 966 C GLU A 59 0.461 -5.283 -15.652 1.00 0.00 C ATOM 967 O GLU A 59 0.725 -4.642 -16.670 1.00 0.00 O ATOM 968 CB GLU A 59 -1.335 -6.812 -16.487 1.00 0.00 C ATOM 969 CG GLU A 59 -1.847 -8.230 -16.673 1.00 0.00 C ATOM 970 CD GLU A 59 -2.725 -8.378 -17.901 1.00 0.00 C ATOM 971 OE1 GLU A 59 -3.700 -7.608 -18.026 1.00 0.00 O ATOM 972 OE2 GLU A 59 -2.438 -9.262 -18.734 1.00 0.00 O ATOM 0 H GLU A 59 -0.922 -6.970 -13.870 1.00 0.00 H new ATOM 0 HA GLU A 59 0.748 -7.303 -16.289 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.081 -6.234 -15.942 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.221 -6.345 -17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.999 -8.911 -16.753 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.412 -8.527 -15.789 1.00 0.00 H new ATOM 979 N ILE A 60 0.558 -4.772 -14.430 1.00 0.00 N ATOM 980 CA ILE A 60 0.988 -3.396 -14.209 1.00 0.00 C ATOM 981 C ILE A 60 2.490 -3.326 -13.954 1.00 0.00 C ATOM 982 O ILE A 60 3.194 -2.505 -14.544 1.00 0.00 O ATOM 983 CB ILE A 60 0.246 -2.758 -13.021 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.195 -3.267 -12.957 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.274 -1.241 -13.133 1.00 0.00 C ATOM 986 CD1 ILE A 60 -1.942 -2.816 -11.722 1.00 0.00 C ATOM 0 H ILE A 60 0.345 -5.289 -13.577 1.00 0.00 H new ATOM 0 HA ILE A 60 0.749 -2.840 -15.115 1.00 0.00 H new ATOM 0 HB ILE A 60 0.752 -3.045 -12.099 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.732 -2.925 -13.842 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.188 -4.356 -12.990 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.255 -0.804 -12.286 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.308 -0.895 -13.133 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.211 -0.936 -14.060 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.956 -3.214 -11.745 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.428 -3.181 -10.833 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.980 -1.727 -11.697 1.00 0.00 H new ATOM 998 N VAL A 61 2.978 -4.194 -13.072 1.00 0.00 N ATOM 999 CA VAL A 61 4.396 -4.232 -12.741 1.00 0.00 C ATOM 1000 C VAL A 61 4.964 -5.635 -12.919 1.00 0.00 C ATOM 1001 O VAL A 61 4.221 -6.597 -13.117 1.00 0.00 O ATOM 1002 CB VAL A 61 4.648 -3.768 -11.294 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.821 -2.531 -10.978 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.339 -4.891 -10.315 1.00 0.00 C ATOM 0 H VAL A 61 2.411 -4.880 -12.574 1.00 0.00 H new ATOM 0 HA VAL A 61 4.899 -3.549 -13.426 1.00 0.00 H new ATOM 0 HB VAL A 61 5.701 -3.506 -11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.012 -2.218 -9.952 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.095 -1.726 -11.660 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.762 -2.761 -11.096 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.522 -4.547 -9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.294 -5.185 -10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.979 -5.747 -10.529 1.00 0.00 H new ATOM 1014 N ASP A 62 6.286 -5.746 -12.848 1.00 0.00 N ATOM 1015 CA ASP A 62 6.956 -7.033 -13.001 1.00 0.00 C ATOM 1016 C ASP A 62 8.339 -7.005 -12.359 1.00 0.00 C ATOM 1017 O ASP A 62 9.090 -6.043 -12.519 1.00 0.00 O ATOM 1018 CB ASP A 62 7.073 -7.399 -14.481 1.00 0.00 C ATOM 1019 CG ASP A 62 5.803 -7.099 -15.253 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.659 -5.957 -15.740 1.00 0.00 O ATOM 1021 OD2 ASP A 62 4.954 -8.007 -15.374 1.00 0.00 O ATOM 0 H ASP A 62 6.915 -4.960 -12.685 1.00 0.00 H new ATOM 0 HA ASP A 62 6.356 -7.790 -12.495 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.903 -6.848 -14.924 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.309 -8.459 -14.573 1.00 0.00 H new ATOM 1026 N VAL A 63 8.670 -8.067 -11.631 1.00 0.00 N ATOM 1027 CA VAL A 63 9.963 -8.164 -10.965 1.00 0.00 C ATOM 1028 C VAL A 63 11.071 -7.565 -11.825 1.00 0.00 C ATOM 1029 O VAL A 63 11.317 -8.018 -12.942 1.00 0.00 O ATOM 1030 CB VAL A 63 10.317 -9.627 -10.638 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.685 -9.711 -9.978 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.249 -10.247 -9.749 1.00 0.00 C ATOM 0 H VAL A 63 8.060 -8.872 -11.488 1.00 0.00 H new ATOM 0 HA VAL A 63 9.883 -7.600 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 63 10.355 -10.191 -11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.918 -10.752 -9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.440 -9.307 -10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.679 -9.134 -9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.515 -11.281 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.178 -9.683 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.288 -10.222 -10.263 1.00 0.00 H new ATOM 1042 N GLY A 64 11.737 -6.543 -11.296 1.00 0.00 N ATOM 1043 CA GLY A 64 12.810 -5.899 -12.028 1.00 0.00 C ATOM 1044 C GLY A 64 12.520 -4.440 -12.321 1.00 0.00 C ATOM 1045 O GLY A 64 13.438 -3.632 -12.459 1.00 0.00 O ATOM 0 H GLY A 64 11.552 -6.150 -10.373 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.733 -5.974 -11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.974 -6.429 -12.966 1.00 0.00 H new ATOM 1049 N ASP A 65 11.238 -4.103 -12.418 1.00 0.00 N ATOM 1050 CA ASP A 65 10.828 -2.731 -12.697 1.00 0.00 C ATOM 1051 C ASP A 65 10.901 -1.875 -11.437 1.00 0.00 C ATOM 1052 O ASP A 65 10.339 -2.228 -10.399 1.00 0.00 O ATOM 1053 CB ASP A 65 9.408 -2.706 -13.265 1.00 0.00 C ATOM 1054 CG ASP A 65 9.300 -3.436 -14.589 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.036 -3.072 -15.529 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.479 -4.373 -14.685 1.00 0.00 O ATOM 0 H ASP A 65 10.466 -4.760 -12.308 1.00 0.00 H new ATOM 0 HA ASP A 65 11.514 -2.316 -13.436 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.725 -3.159 -12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.091 -1.672 -13.397 1.00 0.00 H new ATOM 1061 N LYS A 66 11.598 -0.748 -11.533 1.00 0.00 N ATOM 1062 CA LYS A 66 11.746 0.160 -10.401 1.00 0.00 C ATOM 1063 C LYS A 66 10.781 1.336 -10.519 1.00 0.00 C ATOM 1064 O LYS A 66 10.674 1.962 -11.573 1.00 0.00 O ATOM 1065 CB LYS A 66 13.185 0.673 -10.316 1.00 0.00 C ATOM 1066 CG LYS A 66 13.360 1.838 -9.358 1.00 0.00 C ATOM 1067 CD LYS A 66 14.797 1.955 -8.879 1.00 0.00 C ATOM 1068 CE LYS A 66 15.756 2.161 -10.041 1.00 0.00 C ATOM 1069 NZ LYS A 66 15.956 3.606 -10.345 1.00 0.00 N ATOM 0 H LYS A 66 12.070 -0.441 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 66 11.510 -0.392 -9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.835 -0.144 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.512 0.979 -11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.064 2.764 -9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.699 1.708 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.883 2.789 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.074 1.054 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.717 1.703 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.370 1.654 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.616 3.705 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.043 4.038 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.348 4.085 -9.510 1.00 0.00 H new ATOM 1083 N VAL A 67 10.082 1.633 -9.427 1.00 0.00 N ATOM 1084 CA VAL A 67 9.129 2.736 -9.408 1.00 0.00 C ATOM 1085 C VAL A 67 9.178 3.481 -8.078 1.00 0.00 C ATOM 1086 O VAL A 67 9.814 3.029 -7.125 1.00 0.00 O ATOM 1087 CB VAL A 67 7.691 2.240 -9.652 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.539 1.725 -11.075 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.321 1.162 -8.644 1.00 0.00 C ATOM 0 H VAL A 67 10.158 1.125 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 67 9.413 3.414 -10.213 1.00 0.00 H new ATOM 0 HB VAL A 67 7.008 3.079 -9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.517 1.379 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.760 2.528 -11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.231 0.899 -11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.302 0.823 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.007 0.321 -8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.389 1.569 -7.635 1.00 0.00 H new ATOM 1099 N TRP A 68 8.504 4.624 -8.021 1.00 0.00 N ATOM 1100 CA TRP A 68 8.471 5.432 -6.809 1.00 0.00 C ATOM 1101 C TRP A 68 7.268 5.068 -5.944 1.00 0.00 C ATOM 1102 O TRP A 68 6.180 4.807 -6.456 1.00 0.00 O ATOM 1103 CB TRP A 68 8.428 6.919 -7.162 1.00 0.00 C ATOM 1104 CG TRP A 68 9.705 7.424 -7.763 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.963 7.627 -9.089 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.898 7.786 -7.061 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.244 8.095 -9.252 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.840 8.201 -8.023 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.263 7.803 -5.711 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.119 8.626 -7.678 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.535 8.224 -5.371 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.450 8.631 -6.350 1.00 0.00 C ATOM 0 H TRP A 68 7.973 5.012 -8.801 1.00 0.00 H new ATOM 0 HA TRP A 68 9.379 5.227 -6.242 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.611 7.096 -7.861 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.207 7.493 -6.262 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.263 7.446 -9.891 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.681 8.326 -10.144 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.564 7.493 -4.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.826 8.941 -8.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.828 8.239 -4.332 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.436 8.955 -6.051 1.00 0.00 H new ATOM 1123 N VAL A 69 7.472 5.052 -4.630 1.00 0.00 N ATOM 1124 CA VAL A 69 6.404 4.721 -3.696 1.00 0.00 C ATOM 1125 C VAL A 69 6.425 5.647 -2.485 1.00 0.00 C ATOM 1126 O VAL A 69 7.426 6.313 -2.217 1.00 0.00 O ATOM 1127 CB VAL A 69 6.511 3.262 -3.214 1.00 0.00 C ATOM 1128 CG1 VAL A 69 5.968 2.310 -4.268 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.953 2.922 -2.867 1.00 0.00 C ATOM 0 H VAL A 69 8.367 5.264 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 69 5.464 4.851 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 69 5.908 3.149 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.052 1.284 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.921 2.542 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.541 2.421 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.012 1.888 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.580 3.051 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.302 3.584 -2.074 1.00 0.00 H new ATOM 1139 N LYS A 70 5.315 5.686 -1.756 1.00 0.00 N ATOM 1140 CA LYS A 70 5.206 6.530 -0.572 1.00 0.00 C ATOM 1141 C LYS A 70 4.572 5.764 0.585 1.00 0.00 C ATOM 1142 O LYS A 70 3.479 5.212 0.453 1.00 0.00 O ATOM 1143 CB LYS A 70 4.379 7.778 -0.884 1.00 0.00 C ATOM 1144 CG LYS A 70 4.056 8.617 0.340 1.00 0.00 C ATOM 1145 CD LYS A 70 2.752 9.377 0.167 1.00 0.00 C ATOM 1146 CE LYS A 70 1.557 8.542 0.600 1.00 0.00 C ATOM 1147 NZ LYS A 70 1.438 8.472 2.084 1.00 0.00 N ATOM 0 H LYS A 70 4.477 5.142 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 70 6.211 6.832 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.922 8.393 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.448 7.476 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.989 7.973 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.867 9.322 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.785 10.296 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.635 9.667 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.645 8.969 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.652 7.534 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.459 8.236 2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.079 7.739 2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.693 9.392 2.496 1.00 0.00 H new ATOM 1161 N LEU A 71 5.263 5.735 1.719 1.00 0.00 N ATOM 1162 CA LEU A 71 4.768 5.038 2.900 1.00 0.00 C ATOM 1163 C LEU A 71 3.433 5.620 3.356 1.00 0.00 C ATOM 1164 O LEU A 71 3.296 6.834 3.513 1.00 0.00 O ATOM 1165 CB LEU A 71 5.790 5.126 4.035 1.00 0.00 C ATOM 1166 CG LEU A 71 5.647 4.088 5.149 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.243 2.756 4.716 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.310 4.581 6.427 1.00 0.00 C ATOM 0 H LEU A 71 6.169 6.187 1.845 1.00 0.00 H new ATOM 0 HA LEU A 71 4.616 3.991 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.788 5.034 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.724 6.119 4.480 1.00 0.00 H new ATOM 0 HG LEU A 71 4.586 3.941 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.133 2.029 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.723 2.396 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.301 2.887 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.198 3.829 7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.370 4.758 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.838 5.510 6.747 1.00 0.00 H new ATOM 1180 N ILE A 72 2.455 4.748 3.568 1.00 0.00 N ATOM 1181 CA ILE A 72 1.132 5.175 4.008 1.00 0.00 C ATOM 1182 C ILE A 72 0.831 4.669 5.415 1.00 0.00 C ATOM 1183 O ILE A 72 0.053 5.274 6.150 1.00 0.00 O ATOM 1184 CB ILE A 72 0.032 4.679 3.052 1.00 0.00 C ATOM 1185 CG1 ILE A 72 -0.061 3.153 3.092 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.306 5.162 1.634 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.890 2.567 1.971 1.00 0.00 C ATOM 0 H ILE A 72 2.553 3.740 3.442 1.00 0.00 H new ATOM 0 HA ILE A 72 1.137 6.265 4.008 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.924 5.090 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.945 2.735 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.489 2.848 4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.480 4.804 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.326 6.252 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.269 4.777 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.911 1.481 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.907 2.956 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.450 2.841 1.012 1.00 0.00 H new ATOM 1199 N GLY A 73 1.457 3.555 5.785 1.00 0.00 N ATOM 1200 CA GLY A 73 1.245 2.988 7.103 1.00 0.00 C ATOM 1201 C GLY A 73 2.315 1.982 7.480 1.00 0.00 C ATOM 1202 O GLY A 73 2.364 0.882 6.931 1.00 0.00 O ATOM 0 H GLY A 73 2.107 3.036 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.228 3.789 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.269 2.504 7.134 1.00 0.00 H new ATOM 1206 N ARG A 74 3.176 2.361 8.420 1.00 0.00 N ATOM 1207 CA ARG A 74 4.252 1.485 8.868 1.00 0.00 C ATOM 1208 C ARG A 74 4.094 1.142 10.346 1.00 0.00 C ATOM 1209 O ARG A 74 3.797 2.010 11.166 1.00 0.00 O ATOM 1210 CB ARG A 74 5.609 2.148 8.630 1.00 0.00 C ATOM 1211 CG ARG A 74 6.006 3.134 9.717 1.00 0.00 C ATOM 1212 CD ARG A 74 7.176 4.002 9.283 1.00 0.00 C ATOM 1213 NE ARG A 74 7.975 4.452 10.420 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.759 3.650 11.131 1.00 0.00 C ATOM 1215 NH1 ARG A 74 8.849 2.362 10.823 1.00 0.00 N ATOM 1216 NH2 ARG A 74 9.455 4.134 12.151 1.00 0.00 N ATOM 0 H ARG A 74 3.149 3.268 8.885 1.00 0.00 H new ATOM 0 HA ARG A 74 4.200 0.562 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.374 1.375 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.587 2.667 7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.154 3.767 9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.272 2.590 10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.808 3.441 8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.802 4.868 8.737 1.00 0.00 H new ATOM 0 HE ARG A 74 7.928 5.437 10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.315 1.987 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.452 1.748 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.388 5.123 12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.057 3.517 12.696 1.00 0.00 H new ATOM 1230 N GLU A 75 4.294 -0.130 10.677 1.00 0.00 N ATOM 1231 CA GLU A 75 4.172 -0.587 12.056 1.00 0.00 C ATOM 1232 C GLU A 75 5.150 -1.723 12.342 1.00 0.00 C ATOM 1233 O GLU A 75 5.146 -2.746 11.658 1.00 0.00 O ATOM 1234 CB GLU A 75 2.740 -1.049 12.339 1.00 0.00 C ATOM 1235 CG GLU A 75 1.800 0.082 12.716 1.00 0.00 C ATOM 1236 CD GLU A 75 2.164 0.729 14.038 1.00 0.00 C ATOM 1237 OE1 GLU A 75 2.552 -0.006 14.971 1.00 0.00 O ATOM 1238 OE2 GLU A 75 2.063 1.969 14.141 1.00 0.00 O ATOM 0 H GLU A 75 4.541 -0.861 10.010 1.00 0.00 H new ATOM 0 HA GLU A 75 4.413 0.250 12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.350 -1.556 11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.756 -1.781 13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.814 0.838 11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.781 -0.301 12.772 1.00 0.00 H new ATOM 1245 N MET A 76 5.987 -1.534 13.357 1.00 0.00 N ATOM 1246 CA MET A 76 6.971 -2.543 13.733 1.00 0.00 C ATOM 1247 C MET A 76 6.695 -3.074 15.136 1.00 0.00 C ATOM 1248 O MET A 76 6.805 -2.343 16.120 1.00 0.00 O ATOM 1249 CB MET A 76 8.384 -1.959 13.664 1.00 0.00 C ATOM 1250 CG MET A 76 9.468 -2.939 14.082 1.00 0.00 C ATOM 1251 SD MET A 76 10.930 -2.118 14.742 1.00 0.00 S ATOM 1252 CE MET A 76 11.540 -3.369 15.870 1.00 0.00 C ATOM 0 H MET A 76 6.004 -0.693 13.933 1.00 0.00 H new ATOM 0 HA MET A 76 6.894 -3.371 13.028 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.581 -1.625 12.645 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.436 -1.078 14.304 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.067 -3.619 14.834 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.754 -3.546 13.223 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.446 -3.008 16.358 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.781 -3.581 16.624 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.765 -4.280 15.316 1.00 0.00 H new ATOM 1262 N LYS A 77 6.338 -4.351 15.221 1.00 0.00 N ATOM 1263 CA LYS A 77 6.048 -4.982 16.504 1.00 0.00 C ATOM 1264 C LYS A 77 7.044 -6.097 16.799 1.00 0.00 C ATOM 1265 O LYS A 77 7.472 -6.814 15.896 1.00 0.00 O ATOM 1266 CB LYS A 77 4.623 -5.541 16.509 1.00 0.00 C ATOM 1267 CG LYS A 77 4.021 -5.658 17.899 1.00 0.00 C ATOM 1268 CD LYS A 77 2.510 -5.501 17.868 1.00 0.00 C ATOM 1269 CE LYS A 77 1.901 -5.690 19.248 1.00 0.00 C ATOM 1270 NZ LYS A 77 1.884 -4.420 20.026 1.00 0.00 N ATOM 0 H LYS A 77 6.242 -4.970 14.416 1.00 0.00 H new ATOM 0 HA LYS A 77 6.138 -4.224 17.282 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.987 -4.898 15.900 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.626 -6.525 16.039 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.278 -6.627 18.327 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.453 -4.897 18.549 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.254 -4.512 17.489 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.082 -6.228 17.178 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.884 -6.068 19.147 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.468 -6.443 19.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.461 -4.591 20.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.857 -4.072 20.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.322 -3.708 19.517 1.00 0.00 H new ATOM 1284 N ASN A 78 7.409 -6.238 18.070 1.00 0.00 N ATOM 1285 CA ASN A 78 8.354 -7.268 18.484 1.00 0.00 C ATOM 1286 C ASN A 78 7.838 -8.657 18.123 1.00 0.00 C ATOM 1287 O ASN A 78 8.584 -9.636 18.157 1.00 0.00 O ATOM 1288 CB ASN A 78 8.607 -7.181 19.991 1.00 0.00 C ATOM 1289 CG ASN A 78 9.847 -7.945 20.414 1.00 0.00 C ATOM 1290 OD1 ASN A 78 9.810 -9.163 20.585 1.00 0.00 O ATOM 1291 ND2 ASN A 78 10.951 -7.229 20.585 1.00 0.00 N ATOM 0 H ASN A 78 7.064 -5.652 18.830 1.00 0.00 H new ATOM 0 HA ASN A 78 9.292 -7.100 17.954 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.712 -6.135 20.279 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.742 -7.574 20.525 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.817 -7.687 20.870 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.934 -6.221 20.431 1.00 0.00 H new ATOM 1298 N ASP A 79 6.558 -8.735 17.777 1.00 0.00 N ATOM 1299 CA ASP A 79 5.942 -10.005 17.408 1.00 0.00 C ATOM 1300 C ASP A 79 5.802 -10.120 15.893 1.00 0.00 C ATOM 1301 O ASP A 79 5.819 -11.220 15.341 1.00 0.00 O ATOM 1302 CB ASP A 79 4.570 -10.142 18.071 1.00 0.00 C ATOM 1303 CG ASP A 79 4.121 -11.587 18.177 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.789 -12.365 18.890 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.102 -11.939 17.548 1.00 0.00 O ATOM 0 H ASP A 79 5.927 -7.935 17.744 1.00 0.00 H new ATOM 0 HA ASP A 79 6.588 -10.810 17.758 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.605 -9.701 19.067 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.835 -9.577 17.498 1.00 0.00 H new ATOM 1310 N ARG A 80 5.663 -8.978 15.227 1.00 0.00 N ATOM 1311 CA ARG A 80 5.518 -8.951 13.778 1.00 0.00 C ATOM 1312 C ARG A 80 5.686 -7.533 13.240 1.00 0.00 C ATOM 1313 O ARG A 80 5.495 -6.557 13.967 1.00 0.00 O ATOM 1314 CB ARG A 80 4.151 -9.504 13.370 1.00 0.00 C ATOM 1315 CG ARG A 80 4.059 -11.020 13.443 1.00 0.00 C ATOM 1316 CD ARG A 80 2.995 -11.560 12.502 1.00 0.00 C ATOM 1317 NE ARG A 80 3.536 -11.863 11.180 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.923 -12.643 10.296 1.00 0.00 C ATOM 1319 NH1 ARG A 80 1.753 -13.192 10.591 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.479 -12.872 9.114 1.00 0.00 N ATOM 0 H ARG A 80 5.648 -8.059 15.669 1.00 0.00 H new ATOM 0 HA ARG A 80 6.299 -9.579 13.349 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.386 -9.071 14.015 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.928 -9.184 12.352 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.025 -11.457 13.190 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.830 -11.323 14.465 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.557 -12.462 12.930 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.191 -10.830 12.406 1.00 0.00 H new ATOM 0 HE ARG A 80 4.434 -11.454 10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.321 -13.016 11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.284 -13.790 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.378 -12.449 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.008 -13.471 8.436 1.00 0.00 H new ATOM 1334 N ILE A 81 6.043 -7.428 11.965 1.00 0.00 N ATOM 1335 CA ILE A 81 6.237 -6.129 11.332 1.00 0.00 C ATOM 1336 C ILE A 81 5.383 -5.999 10.074 1.00 0.00 C ATOM 1337 O ILE A 81 5.382 -6.884 9.218 1.00 0.00 O ATOM 1338 CB ILE A 81 7.714 -5.896 10.963 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.579 -5.870 12.224 1.00 0.00 C ATOM 1340 CG2 ILE A 81 7.867 -4.600 10.182 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.061 -5.987 11.943 1.00 0.00 C ATOM 0 H ILE A 81 6.204 -8.226 11.350 1.00 0.00 H new ATOM 0 HA ILE A 81 5.930 -5.375 12.057 1.00 0.00 H new ATOM 0 HB ILE A 81 8.050 -6.719 10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.392 -4.942 12.764 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.276 -6.687 12.879 1.00 0.00 H new ATOM 0 HG21 ILE A 81 8.916 -4.450 9.929 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.277 -4.655 9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.517 -3.765 10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.613 -5.961 12.883 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.261 -6.928 11.430 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.379 -5.156 11.313 1.00 0.00 H new ATOM 1353 N LYS A 82 4.661 -4.889 9.969 1.00 0.00 N ATOM 1354 CA LYS A 82 3.805 -4.640 8.815 1.00 0.00 C ATOM 1355 C LYS A 82 4.158 -3.312 8.152 1.00 0.00 C ATOM 1356 O LYS A 82 4.240 -2.279 8.816 1.00 0.00 O ATOM 1357 CB LYS A 82 2.334 -4.636 9.236 1.00 0.00 C ATOM 1358 CG LYS A 82 1.386 -5.098 8.142 1.00 0.00 C ATOM 1359 CD LYS A 82 1.432 -6.607 7.964 1.00 0.00 C ATOM 1360 CE LYS A 82 0.418 -7.304 8.858 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.902 -7.455 8.186 1.00 0.00 N ATOM 0 H LYS A 82 4.651 -4.147 10.669 1.00 0.00 H new ATOM 0 HA LYS A 82 3.968 -5.441 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.212 -5.281 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.056 -3.628 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.369 -4.791 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.649 -4.612 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.233 -6.858 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.433 -6.971 8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.797 -8.287 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.294 -6.734 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.565 -7.934 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.276 -6.516 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.788 -8.020 7.320 1.00 0.00 H new ATOM 1375 N VAL A 83 4.365 -3.347 6.840 1.00 0.00 N ATOM 1376 CA VAL A 83 4.706 -2.145 6.087 1.00 0.00 C ATOM 1377 C VAL A 83 3.834 -2.009 4.845 1.00 0.00 C ATOM 1378 O VAL A 83 3.725 -2.937 4.044 1.00 0.00 O ATOM 1379 CB VAL A 83 6.187 -2.151 5.663 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.555 -0.837 4.990 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.084 -2.414 6.863 1.00 0.00 C ATOM 0 H VAL A 83 4.303 -4.194 6.276 1.00 0.00 H new ATOM 0 HA VAL A 83 4.528 -1.296 6.747 1.00 0.00 H new ATOM 0 HB VAL A 83 6.337 -2.955 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.605 -0.860 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.935 -0.695 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.390 -0.014 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.127 -2.415 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.933 -1.633 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.836 -3.383 7.297 1.00 0.00 H new ATOM 1391 N SER A 84 3.212 -0.844 4.690 1.00 0.00 N ATOM 1392 CA SER A 84 2.345 -0.585 3.547 1.00 0.00 C ATOM 1393 C SER A 84 2.849 0.609 2.742 1.00 0.00 C ATOM 1394 O SER A 84 3.167 1.659 3.300 1.00 0.00 O ATOM 1395 CB SER A 84 0.911 -0.330 4.015 1.00 0.00 C ATOM 1396 OG SER A 84 0.203 -1.547 4.175 1.00 0.00 O ATOM 0 H SER A 84 3.293 -0.064 5.343 1.00 0.00 H new ATOM 0 HA SER A 84 2.359 -1.466 2.905 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.925 0.213 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.396 0.302 3.291 1.00 0.00 H new ATOM 0 HG SER A 84 -0.710 -1.357 4.476 1.00 0.00 H new ATOM 1402 N LEU A 85 2.920 0.439 1.426 1.00 0.00 N ATOM 1403 CA LEU A 85 3.386 1.501 0.541 1.00 0.00 C ATOM 1404 C LEU A 85 2.343 1.817 -0.526 1.00 0.00 C ATOM 1405 O LEU A 85 1.473 0.997 -0.820 1.00 0.00 O ATOM 1406 CB LEU A 85 4.705 1.100 -0.121 1.00 0.00 C ATOM 1407 CG LEU A 85 5.789 0.566 0.816 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.972 0.040 0.016 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.239 1.650 1.784 1.00 0.00 C ATOM 0 H LEU A 85 2.661 -0.424 0.948 1.00 0.00 H new ATOM 0 HA LEU A 85 3.547 2.396 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.495 0.339 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.103 1.967 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 85 5.370 -0.258 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.734 -0.336 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.640 -0.767 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.391 0.846 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.011 1.252 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.641 2.494 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.389 1.982 2.380 1.00 0.00 H new ATOM 1421 N SER A 86 2.438 3.010 -1.104 1.00 0.00 N ATOM 1422 CA SER A 86 1.503 3.434 -2.140 1.00 0.00 C ATOM 1423 C SER A 86 2.240 3.778 -3.431 1.00 0.00 C ATOM 1424 O SER A 86 3.403 4.178 -3.406 1.00 0.00 O ATOM 1425 CB SER A 86 0.696 4.643 -1.662 1.00 0.00 C ATOM 1426 OG SER A 86 -0.301 4.997 -2.606 1.00 0.00 O ATOM 0 H SER A 86 3.153 3.700 -0.873 1.00 0.00 H new ATOM 0 HA SER A 86 0.822 2.607 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.229 4.417 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.364 5.489 -1.500 1.00 0.00 H new ATOM 0 HG SER A 86 -1.123 4.499 -2.416 1.00 0.00 H new ATOM 1432 N MET A 87 1.553 3.617 -4.557 1.00 0.00 N ATOM 1433 CA MET A 87 2.140 3.911 -5.859 1.00 0.00 C ATOM 1434 C MET A 87 1.290 4.922 -6.624 1.00 0.00 C ATOM 1435 O MET A 87 1.785 5.623 -7.506 1.00 0.00 O ATOM 1436 CB MET A 87 2.288 2.628 -6.678 1.00 0.00 C ATOM 1437 CG MET A 87 3.497 1.793 -6.285 1.00 0.00 C ATOM 1438 SD MET A 87 3.658 0.297 -7.278 1.00 0.00 S ATOM 1439 CE MET A 87 3.929 0.996 -8.904 1.00 0.00 C ATOM 0 H MET A 87 0.589 3.285 -4.594 1.00 0.00 H new ATOM 0 HA MET A 87 3.127 4.344 -5.694 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.387 2.026 -6.561 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.363 2.887 -7.734 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.400 2.395 -6.392 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.419 1.520 -5.233 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.516 0.302 -9.505 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.969 1.173 -9.388 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.467 1.939 -8.810 1.00 0.00 H new ATOM 1449 N LYS A 88 0.008 4.990 -6.280 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.910 5.914 -6.934 1.00 0.00 C ATOM 1451 C LYS A 88 -0.744 7.327 -6.385 1.00 0.00 C ATOM 1452 O LYS A 88 -1.114 8.304 -7.035 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.356 5.448 -6.742 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.814 5.469 -5.294 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.271 5.054 -5.165 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.726 5.064 -3.714 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.209 5.127 -3.598 1.00 0.00 N ATOM 0 H LYS A 88 -0.418 4.416 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.676 5.927 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.015 6.084 -7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.457 4.435 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.190 4.798 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.682 6.470 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.896 5.730 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.405 4.056 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.360 4.168 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.285 5.919 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.479 5.132 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.556 5.995 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.629 4.298 -4.065 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.182 7.427 -5.184 1.00 0.00 N ATOM 1472 CA VAL A 89 0.037 8.722 -4.548 1.00 0.00 C ATOM 1473 C VAL A 89 1.481 9.180 -4.719 1.00 0.00 C ATOM 1474 O VAL A 89 2.014 9.912 -3.883 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.302 8.673 -3.047 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.718 8.161 -2.835 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.705 7.810 -2.301 1.00 0.00 C ATOM 0 H VAL A 89 0.130 6.628 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.627 9.434 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.245 9.685 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.939 8.134 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.424 8.825 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.808 7.157 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.450 7.787 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.683 6.797 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.704 8.228 -2.425 1.00 0.00 H new ATOM 1487 N VAL A 90 2.110 8.745 -5.806 1.00 0.00 N ATOM 1488 CA VAL A 90 3.493 9.112 -6.087 1.00 0.00 C ATOM 1489 C VAL A 90 3.760 9.140 -7.588 1.00 0.00 C ATOM 1490 O VAL A 90 3.455 8.185 -8.301 1.00 0.00 O ATOM 1491 CB VAL A 90 4.480 8.135 -5.420 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.908 8.635 -5.570 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.126 7.940 -3.953 1.00 0.00 C ATOM 0 H VAL A 90 1.684 8.138 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 90 3.646 10.109 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 90 4.404 7.170 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.591 7.933 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.155 8.719 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.003 9.612 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.833 7.247 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.173 8.899 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.118 7.534 -3.873 1.00 0.00 H new ATOM 1503 N ASN A 91 4.330 10.243 -8.062 1.00 0.00 N ATOM 1504 CA ASN A 91 4.639 10.396 -9.478 1.00 0.00 C ATOM 1505 C ASN A 91 5.623 9.326 -9.940 1.00 0.00 C ATOM 1506 O ASN A 91 6.595 9.024 -9.249 1.00 0.00 O ATOM 1507 CB ASN A 91 5.217 11.787 -9.749 1.00 0.00 C ATOM 1508 CG ASN A 91 5.031 12.220 -11.189 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.263 11.446 -12.118 1.00 0.00 O ATOM 1510 ND2 ASN A 91 4.610 13.465 -11.382 1.00 0.00 N ATOM 0 H ASN A 91 4.587 11.044 -7.485 1.00 0.00 H new ATOM 0 HA ASN A 91 3.712 10.279 -10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.738 12.511 -9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.280 11.789 -9.506 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.467 13.814 -12.330 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.430 14.072 -10.582 1.00 0.00 H new ATOM 1517 N GLN A 92 5.363 8.756 -11.113 1.00 0.00 N ATOM 1518 CA GLN A 92 6.226 7.719 -11.666 1.00 0.00 C ATOM 1519 C GLN A 92 7.150 8.292 -12.735 1.00 0.00 C ATOM 1520 O GLN A 92 7.268 7.742 -13.828 1.00 0.00 O ATOM 1521 CB GLN A 92 5.382 6.588 -12.258 1.00 0.00 C ATOM 1522 CG GLN A 92 4.240 6.145 -11.358 1.00 0.00 C ATOM 1523 CD GLN A 92 4.716 5.674 -9.998 1.00 0.00 C ATOM 1524 OE1 GLN A 92 5.911 5.471 -9.783 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.781 5.499 -9.071 1.00 0.00 N ATOM 0 H GLN A 92 4.562 8.995 -11.698 1.00 0.00 H new ATOM 0 HA GLN A 92 6.839 7.322 -10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.974 6.913 -13.215 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.027 5.733 -12.460 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.543 6.973 -11.228 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.690 5.340 -11.845 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.802 5.679 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.042 5.184 -8.137 1.00 0.00 H new ATOM 1534 N GLY A 93 7.804 9.404 -12.409 1.00 0.00 N ATOM 1535 CA GLY A 93 8.709 10.034 -13.352 1.00 0.00 C ATOM 1536 C GLY A 93 9.697 10.963 -12.675 1.00 0.00 C ATOM 1537 O GLY A 93 10.875 10.997 -13.033 1.00 0.00 O ATOM 0 H GLY A 93 7.723 9.879 -11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.254 9.264 -13.898 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.131 10.596 -14.086 1.00 0.00 H new ATOM 1541 N THR A 94 9.217 11.721 -11.694 1.00 0.00 N ATOM 1542 CA THR A 94 10.065 12.657 -10.967 1.00 0.00 C ATOM 1543 C THR A 94 10.145 12.293 -9.489 1.00 0.00 C ATOM 1544 O THR A 94 11.113 12.629 -8.808 1.00 0.00 O ATOM 1545 CB THR A 94 9.550 14.103 -11.102 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.232 14.206 -10.553 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.534 14.539 -12.558 1.00 0.00 C ATOM 0 H THR A 94 8.245 11.705 -11.385 1.00 0.00 H new ATOM 0 HA THR A 94 11.060 12.591 -11.408 1.00 0.00 H new ATOM 0 HB THR A 94 10.225 14.758 -10.552 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.912 15.128 -10.641 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.167 15.563 -12.627 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.544 14.488 -12.964 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.880 13.880 -13.128 1.00 0.00 H new ATOM 1555 N GLY A 95 9.119 11.604 -8.998 1.00 0.00 N ATOM 1556 CA GLY A 95 9.093 11.206 -7.603 1.00 0.00 C ATOM 1557 C GLY A 95 8.596 12.311 -6.693 1.00 0.00 C ATOM 1558 O GLY A 95 9.005 12.405 -5.536 1.00 0.00 O ATOM 0 H GLY A 95 8.306 11.315 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.453 10.331 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.095 10.909 -7.295 1.00 0.00 H new ATOM 1562 N LYS A 96 7.711 13.153 -7.216 1.00 0.00 N ATOM 1563 CA LYS A 96 7.156 14.258 -6.445 1.00 0.00 C ATOM 1564 C LYS A 96 5.869 13.839 -5.742 1.00 0.00 C ATOM 1565 O LYS A 96 4.999 13.208 -6.343 1.00 0.00 O ATOM 1566 CB LYS A 96 6.885 15.458 -7.355 1.00 0.00 C ATOM 1567 CG LYS A 96 6.869 16.787 -6.622 1.00 0.00 C ATOM 1568 CD LYS A 96 7.068 17.954 -7.575 1.00 0.00 C ATOM 1569 CE LYS A 96 5.753 18.398 -8.195 1.00 0.00 C ATOM 1570 NZ LYS A 96 5.940 19.535 -9.138 1.00 0.00 N ATOM 0 H LYS A 96 7.363 13.090 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 96 7.887 14.542 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.647 15.492 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.926 15.316 -7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.920 16.902 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.654 16.796 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.519 18.789 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.764 17.667 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.299 17.559 -8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.060 18.691 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.020 19.808 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.350 20.344 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.581 19.248 -9.905 1.00 0.00 H new ATOM 1584 N ASP A 97 5.753 14.196 -4.467 1.00 0.00 N ATOM 1585 CA ASP A 97 4.569 13.858 -3.684 1.00 0.00 C ATOM 1586 C ASP A 97 3.308 14.407 -4.343 1.00 0.00 C ATOM 1587 O ASP A 97 3.242 15.584 -4.698 1.00 0.00 O ATOM 1588 CB ASP A 97 4.699 14.410 -2.263 1.00 0.00 C ATOM 1589 CG ASP A 97 3.745 13.740 -1.293 1.00 0.00 C ATOM 1590 OD1 ASP A 97 3.000 12.835 -1.723 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.744 14.121 -0.104 1.00 0.00 O ATOM 0 H ASP A 97 6.463 14.719 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 97 4.490 12.772 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.723 14.272 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.508 15.483 -2.274 1.00 0.00 H new ATOM 1596 N LEU A 98 2.308 13.546 -4.502 1.00 0.00 N ATOM 1597 CA LEU A 98 1.048 13.944 -5.118 1.00 0.00 C ATOM 1598 C LEU A 98 -0.026 14.179 -4.062 1.00 0.00 C ATOM 1599 O LEU A 98 -0.964 14.947 -4.274 1.00 0.00 O ATOM 1600 CB LEU A 98 0.581 12.873 -6.107 1.00 0.00 C ATOM 1601 CG LEU A 98 1.585 12.473 -7.188 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.087 11.260 -7.957 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.845 13.637 -8.132 1.00 0.00 C ATOM 0 H LEU A 98 2.346 12.569 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 98 1.214 14.879 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.310 11.980 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.326 13.229 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 98 2.525 12.208 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.815 10.990 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.955 10.423 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.134 11.495 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.562 13.334 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.911 13.934 -8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.248 14.479 -7.569 1.00 0.00 H new ATOM 1615 N ASP A 99 0.120 13.514 -2.920 1.00 0.00 N ATOM 1616 CA ASP A 99 -0.836 13.652 -1.827 1.00 0.00 C ATOM 1617 C ASP A 99 -0.150 14.177 -0.570 1.00 0.00 C ATOM 1618 O ASP A 99 0.122 13.435 0.375 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.507 12.310 -1.534 1.00 0.00 C ATOM 1620 CG ASP A 99 -0.539 11.291 -0.966 1.00 0.00 C ATOM 1621 OD1 ASP A 99 0.680 11.443 -1.188 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -1.002 10.340 -0.300 1.00 0.00 O ATOM 0 H ASP A 99 0.891 12.874 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.597 14.370 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.325 12.462 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.945 11.918 -2.452 1.00 0.00 H new ATOM 1627 N PRO A 100 0.138 15.487 -0.555 1.00 0.00 N ATOM 1628 CA PRO A 100 0.797 16.141 0.580 1.00 0.00 C ATOM 1629 C PRO A 100 -0.109 16.226 1.804 1.00 0.00 C ATOM 1630 O PRO A 100 0.290 16.743 2.847 1.00 0.00 O ATOM 1631 CB PRO A 100 1.112 17.541 0.049 1.00 0.00 C ATOM 1632 CG PRO A 100 0.105 17.776 -1.023 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.157 16.432 -1.646 1.00 0.00 C ATOM 0 HA PRO A 100 1.676 15.590 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.033 18.290 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.128 17.596 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.811 18.201 -0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.480 18.483 -1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.188 16.342 -1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.482 16.259 -2.512 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.328 15.715 1.670 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.290 15.734 2.766 1.00 0.00 C ATOM 1643 C ASN A 101 -2.392 14.361 3.424 1.00 0.00 C ATOM 1644 O ASN A 101 -2.516 14.255 4.643 1.00 0.00 O ATOM 1645 CB ASN A 101 -3.665 16.172 2.257 1.00 0.00 C ATOM 1646 CG ASN A 101 -3.686 17.627 1.827 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -2.853 18.425 2.255 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -4.642 17.977 0.975 1.00 0.00 N ATOM 0 H ASN A 101 -1.673 15.282 0.813 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.941 16.449 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.955 15.543 1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.406 16.017 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.707 18.941 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.312 17.282 0.646 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.338 13.315 2.607 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.425 11.948 3.110 1.00 0.00 C ATOM 1657 C ASN A 102 -3.823 11.652 3.643 1.00 0.00 C ATOM 1658 O ASN A 102 -3.982 11.165 4.763 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.387 11.722 4.212 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.032 12.304 3.859 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.783 11.655 3.202 1.00 0.00 O ATOM 1662 ND2 ASN A 102 0.216 13.533 4.294 1.00 0.00 N ATOM 0 H ASN A 102 -2.235 13.387 1.595 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.221 11.269 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.742 12.172 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.283 10.653 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.111 13.976 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.488 14.034 4.835 1.00 0.00 H new ATOM 1669 N VAL A 103 -4.835 11.949 2.835 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.220 11.714 3.223 1.00 0.00 C ATOM 1671 C VAL A 103 -6.796 10.502 2.500 1.00 0.00 C ATOM 1672 O VAL A 103 -7.638 9.785 3.042 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.102 12.941 2.929 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -8.499 12.745 3.499 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -6.462 14.204 3.486 1.00 0.00 C ATOM 0 H VAL A 103 -4.721 12.354 1.906 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.219 11.526 4.297 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.189 13.052 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.107 13.623 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.956 11.865 3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.435 12.607 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.099 15.061 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.342 14.106 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.486 14.351 3.024 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.337 10.279 1.274 1.00 0.00 N ATOM 1686 CA ILE A 104 -6.804 9.152 0.475 1.00 0.00 C ATOM 1687 C ILE A 104 -6.392 7.826 1.103 1.00 0.00 C ATOM 1688 O ILE A 104 -7.224 6.942 1.313 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.261 9.217 -0.964 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -6.726 10.503 -1.651 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -6.709 7.997 -1.755 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -5.800 11.678 -1.423 1.00 0.00 C ATOM 0 H ILE A 104 -5.641 10.864 0.811 1.00 0.00 H new ATOM 0 HA ILE A 104 -7.892 9.215 0.446 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.172 9.221 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.813 10.322 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.722 10.760 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.317 8.058 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.333 7.094 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.798 7.964 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.191 12.555 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.731 11.885 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.809 11.441 -1.811 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.105 7.693 1.403 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.583 6.475 2.010 1.00 0.00 C ATOM 1706 C ILE A 105 -5.380 6.095 3.253 1.00 0.00 C ATOM 1707 O ILE A 105 -5.408 4.932 3.652 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.099 6.628 2.392 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -2.944 7.642 3.527 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.280 7.052 1.182 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.115 7.038 4.904 1.00 0.00 C ATOM 0 H ILE A 105 -4.404 8.414 1.235 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.678 5.685 1.265 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.728 5.663 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.958 8.102 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.677 8.438 3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.234 7.156 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.369 6.298 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.650 8.007 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.992 7.814 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.111 6.603 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.366 6.261 5.056 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.027 7.084 3.859 1.00 0.00 N ATOM 1724 CA GLU A 106 -6.827 6.853 5.057 1.00 0.00 C ATOM 1725 C GLU A 106 -8.228 6.375 4.692 1.00 0.00 C ATOM 1726 O GLU A 106 -8.656 5.298 5.108 1.00 0.00 O ATOM 1727 CB GLU A 106 -6.914 8.131 5.893 1.00 0.00 C ATOM 1728 CG GLU A 106 -7.312 7.886 7.339 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.859 9.130 8.013 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -9.070 9.398 7.871 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -7.076 9.835 8.682 1.00 0.00 O ATOM 0 H GLU A 106 -6.014 8.053 3.541 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.339 6.076 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.948 8.636 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.637 8.806 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.063 7.097 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.445 7.528 7.895 1.00 0.00 H new