USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.996 USER MOD Single : A 20 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.8!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 148:sc= 1 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.25! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 13:sc= 0.00105 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.19! C(o=-3.8!,f=-3.2!) USER MOD Single : A 45 HIS : no HD1:sc= -4.43! C(o=-4.4!,f=-6!) USER MOD Single : A 47 THR OG1 : rot -29:sc= 0.163 USER MOD Single : A 48 HIS : no HD1:sc= -2.04! C(o=-2!,f=-3.2!) USER MOD Single : A 49 MET CE :methyl 154:sc= -2.01 (180deg=-2.64) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0723 USER MOD Single : A 52 CYS SG : rot 180:sc= 0.107 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 70 LYS NZ :NH3+ 157:sc=-0.000244 (180deg=-0.345) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.0653 (180deg=-0.412) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -24:sc= -0.733 USER MOD Single : A 87 MET CE :methyl 165:sc= -0.361 (180deg=-0.921) USER MOD Single : A 88 LYS NZ :NH3+ 154:sc= -0.174 (180deg=-0.951) USER MOD Single : A 91 ASN : amide:sc= -0.144 K(o=-0.14,f=-9.9!) USER MOD Single : A 92 GLN : amide:sc= -1.52 K(o=-1.5,f=-4.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -4.3! C(o=-4.3!,f=-6.5!) USER MOD Single : A 102 ASN :FLIP amide:sc= -5.6! C(o=-6.8!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.257 1.734 8.482 1.00 0.00 N ATOM 229 CA LEU A 12 13.188 2.133 7.573 1.00 0.00 C ATOM 230 C LEU A 12 12.956 3.639 7.634 1.00 0.00 C ATOM 231 O LEU A 12 13.264 4.301 8.625 1.00 0.00 O ATOM 232 CB LEU A 12 11.895 1.391 7.918 1.00 0.00 C ATOM 233 CG LEU A 12 11.843 -0.084 7.524 1.00 0.00 C ATOM 234 CD1 LEU A 12 10.641 -0.764 8.160 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.803 -0.233 6.010 1.00 0.00 C ATOM 0 HA LEU A 12 13.490 1.871 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.733 1.465 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.064 1.905 7.434 1.00 0.00 H new ATOM 0 HG LEU A 12 12.747 -0.569 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.620 -1.814 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.713 -0.690 9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.726 -0.276 7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.766 -1.291 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.918 0.268 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.696 0.217 5.576 1.00 0.00 H new ATOM 247 N PRO A 13 12.396 4.197 6.549 1.00 0.00 N ATOM 248 CA PRO A 13 12.107 5.630 6.456 1.00 0.00 C ATOM 249 C PRO A 13 10.970 6.055 7.380 1.00 0.00 C ATOM 250 O PRO A 13 10.431 5.240 8.130 1.00 0.00 O ATOM 251 CB PRO A 13 11.702 5.816 4.991 1.00 0.00 C ATOM 252 CG PRO A 13 11.195 4.481 4.567 1.00 0.00 C ATOM 253 CD PRO A 13 12.002 3.468 5.332 1.00 0.00 C ATOM 0 HA PRO A 13 12.960 6.237 6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.934 6.583 4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.550 6.129 4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.132 4.380 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.313 4.342 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.415 2.581 5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.871 3.134 4.764 1.00 0.00 H new ATOM 261 N ALA A 14 10.611 7.333 7.321 1.00 0.00 N ATOM 262 CA ALA A 14 9.537 7.863 8.151 1.00 0.00 C ATOM 263 C ALA A 14 8.186 7.725 7.456 1.00 0.00 C ATOM 264 O ALA A 14 8.112 7.309 6.299 1.00 0.00 O ATOM 265 CB ALA A 14 9.808 9.319 8.499 1.00 0.00 C ATOM 0 H ALA A 14 11.048 8.020 6.707 1.00 0.00 H new ATOM 0 HA ALA A 14 9.503 7.281 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.998 9.702 9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.749 9.394 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.872 9.906 7.583 1.00 0.00 H new ATOM 271 N LEU A 15 7.121 8.076 8.169 1.00 0.00 N ATOM 272 CA LEU A 15 5.772 7.992 7.620 1.00 0.00 C ATOM 273 C LEU A 15 5.579 9.000 6.492 1.00 0.00 C ATOM 274 O LEU A 15 6.090 10.119 6.552 1.00 0.00 O ATOM 275 CB LEU A 15 4.737 8.233 8.719 1.00 0.00 C ATOM 276 CG LEU A 15 3.307 7.795 8.404 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.275 6.330 7.993 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.398 8.035 9.600 1.00 0.00 C ATOM 0 H LEU A 15 7.166 8.421 9.128 1.00 0.00 H new ATOM 0 HA LEU A 15 5.634 6.990 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.065 7.713 9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.726 9.298 8.952 1.00 0.00 H new ATOM 0 HG LEU A 15 2.941 8.394 7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.249 6.036 7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.892 6.188 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.662 5.715 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.384 7.717 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.762 7.464 10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.395 9.096 9.848 1.00 0.00 H new ATOM 290 N TYR A 16 4.836 8.598 5.468 1.00 0.00 N ATOM 291 CA TYR A 16 4.574 9.467 4.326 1.00 0.00 C ATOM 292 C TYR A 16 5.870 9.821 3.602 1.00 0.00 C ATOM 293 O TYR A 16 5.971 10.867 2.959 1.00 0.00 O ATOM 294 CB TYR A 16 3.867 10.745 4.782 1.00 0.00 C ATOM 295 CG TYR A 16 2.577 10.488 5.528 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.811 9.359 5.264 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.122 11.376 6.495 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.632 9.121 5.943 1.00 0.00 C ATOM 299 CE2 TYR A 16 0.945 11.146 7.180 1.00 0.00 C ATOM 300 CZ TYR A 16 0.203 10.016 6.900 1.00 0.00 C ATOM 301 OH TYR A 16 -0.972 9.784 7.578 1.00 0.00 O ATOM 0 H TYR A 16 4.404 7.676 5.404 1.00 0.00 H new ATOM 0 HA TYR A 16 3.927 8.929 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.540 11.314 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.656 11.365 3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.143 8.656 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.699 12.262 6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.049 8.238 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.607 11.846 7.930 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.129 10.509 8.218 1.00 0.00 H new ATOM 311 N THR A 17 6.860 8.942 3.712 1.00 0.00 N ATOM 312 CA THR A 17 8.150 9.160 3.069 1.00 0.00 C ATOM 313 C THR A 17 8.151 8.627 1.642 1.00 0.00 C ATOM 314 O THR A 17 7.664 7.527 1.379 1.00 0.00 O ATOM 315 CB THR A 17 9.291 8.486 3.857 1.00 0.00 C ATOM 316 OG1 THR A 17 9.424 9.097 5.144 1.00 0.00 O ATOM 317 CG2 THR A 17 10.606 8.591 3.100 1.00 0.00 C ATOM 0 H THR A 17 6.794 8.072 4.240 1.00 0.00 H new ATOM 0 HA THR A 17 8.316 10.237 3.051 1.00 0.00 H new ATOM 0 HB THR A 17 9.045 7.431 3.981 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.363 9.332 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.396 8.109 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.509 8.099 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.856 9.641 2.949 1.00 0.00 H new ATOM 325 N ILE A 18 8.700 9.413 0.721 1.00 0.00 N ATOM 326 CA ILE A 18 8.764 9.020 -0.680 1.00 0.00 C ATOM 327 C ILE A 18 10.157 8.519 -1.047 1.00 0.00 C ATOM 328 O ILE A 18 11.156 9.194 -0.800 1.00 0.00 O ATOM 329 CB ILE A 18 8.388 10.187 -1.611 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.918 10.563 -1.425 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.668 9.819 -3.061 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.504 11.792 -2.206 1.00 0.00 C ATOM 0 H ILE A 18 9.107 10.327 0.921 1.00 0.00 H new ATOM 0 HA ILE A 18 8.043 8.214 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 18 8.999 11.051 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.295 9.722 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.726 10.734 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.397 10.654 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.728 9.596 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.080 8.943 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.449 11.999 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.101 12.645 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.663 11.618 -3.270 1.00 0.00 H new ATOM 344 N PHE A 19 10.216 7.331 -1.640 1.00 0.00 N ATOM 345 CA PHE A 19 11.487 6.739 -2.043 1.00 0.00 C ATOM 346 C PHE A 19 11.310 5.855 -3.273 1.00 0.00 C ATOM 347 O PHE A 19 10.192 5.473 -3.619 1.00 0.00 O ATOM 348 CB PHE A 19 12.079 5.922 -0.893 1.00 0.00 C ATOM 349 CG PHE A 19 11.094 4.987 -0.253 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.753 3.791 -0.866 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.507 5.303 0.962 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.846 2.929 -0.278 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.601 4.444 1.554 1.00 0.00 C ATOM 354 CZ PHE A 19 9.269 3.256 0.932 1.00 0.00 C ATOM 0 H PHE A 19 9.399 6.759 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 19 12.173 7.548 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.926 5.346 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.466 6.603 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.201 3.530 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.761 6.232 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.589 2.000 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.153 4.701 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.559 2.584 1.392 1.00 0.00 H new ATOM 364 N GLN A 20 12.420 5.536 -3.930 1.00 0.00 N ATOM 365 CA GLN A 20 12.387 4.698 -5.122 1.00 0.00 C ATOM 366 C GLN A 20 12.810 3.270 -4.797 1.00 0.00 C ATOM 367 O GLN A 20 13.892 3.040 -4.256 1.00 0.00 O ATOM 368 CB GLN A 20 13.300 5.278 -6.204 1.00 0.00 C ATOM 369 CG GLN A 20 12.838 4.971 -7.620 1.00 0.00 C ATOM 370 CD GLN A 20 13.741 5.580 -8.673 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.828 6.072 -8.368 1.00 0.00 O ATOM 372 NE2 GLN A 20 13.297 5.549 -9.924 1.00 0.00 N ATOM 0 H GLN A 20 13.353 5.845 -3.657 1.00 0.00 H new ATOM 0 HA GLN A 20 11.362 4.678 -5.492 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.359 6.359 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.307 4.885 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.801 3.891 -7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.823 5.345 -7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.390 5.132 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.863 5.943 -10.676 1.00 0.00 H new ATOM 381 N GLY A 21 11.949 2.312 -5.128 1.00 0.00 N ATOM 382 CA GLY A 21 12.252 0.918 -4.861 1.00 0.00 C ATOM 383 C GLY A 21 11.941 0.021 -6.044 1.00 0.00 C ATOM 384 O GLY A 21 11.154 0.386 -6.917 1.00 0.00 O ATOM 0 H GLY A 21 11.048 2.477 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.307 0.821 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.680 0.584 -3.995 1.00 0.00 H new ATOM 388 N GLU A 22 12.560 -1.155 -6.071 1.00 0.00 N ATOM 389 CA GLU A 22 12.346 -2.104 -7.158 1.00 0.00 C ATOM 390 C GLU A 22 11.426 -3.238 -6.715 1.00 0.00 C ATOM 391 O GLU A 22 11.498 -3.704 -5.578 1.00 0.00 O ATOM 392 CB GLU A 22 13.683 -2.675 -7.637 1.00 0.00 C ATOM 393 CG GLU A 22 13.543 -3.697 -8.752 1.00 0.00 C ATOM 394 CD GLU A 22 14.862 -4.357 -9.107 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.753 -3.658 -9.633 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.002 -5.572 -8.858 1.00 0.00 O ATOM 0 H GLU A 22 13.212 -1.473 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 22 11.870 -1.573 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.315 -1.857 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.194 -3.138 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.827 -4.462 -8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.135 -3.210 -9.637 1.00 0.00 H new ATOM 403 N VAL A 23 10.559 -3.676 -7.623 1.00 0.00 N ATOM 404 CA VAL A 23 9.624 -4.755 -7.328 1.00 0.00 C ATOM 405 C VAL A 23 10.353 -6.083 -7.158 1.00 0.00 C ATOM 406 O VAL A 23 11.099 -6.511 -8.038 1.00 0.00 O ATOM 407 CB VAL A 23 8.567 -4.901 -8.438 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.805 -6.209 -8.283 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.614 -3.716 -8.426 1.00 0.00 C ATOM 0 H VAL A 23 10.485 -3.300 -8.568 1.00 0.00 H new ATOM 0 HA VAL A 23 9.126 -4.495 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 23 9.078 -4.918 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.063 -6.294 -9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.501 -7.045 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.305 -6.226 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.874 -3.836 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.109 -3.665 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.175 -2.796 -8.591 1.00 0.00 H new ATOM 419 N ALA A 24 10.132 -6.732 -6.019 1.00 0.00 N ATOM 420 CA ALA A 24 10.766 -8.013 -5.733 1.00 0.00 C ATOM 421 C ALA A 24 9.755 -9.153 -5.803 1.00 0.00 C ATOM 422 O ALA A 24 10.124 -10.309 -6.007 1.00 0.00 O ATOM 423 CB ALA A 24 11.434 -7.979 -4.368 1.00 0.00 C ATOM 0 H ALA A 24 9.518 -6.391 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 24 11.528 -8.191 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.903 -8.942 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.192 -7.196 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.686 -7.774 -3.602 1.00 0.00 H new ATOM 429 N MET A 25 8.480 -8.819 -5.630 1.00 0.00 N ATOM 430 CA MET A 25 7.418 -9.815 -5.674 1.00 0.00 C ATOM 431 C MET A 25 6.130 -9.213 -6.227 1.00 0.00 C ATOM 432 O MET A 25 5.784 -8.073 -5.918 1.00 0.00 O ATOM 433 CB MET A 25 7.168 -10.387 -4.277 1.00 0.00 C ATOM 434 CG MET A 25 6.292 -11.630 -4.277 1.00 0.00 C ATOM 435 SD MET A 25 6.586 -12.686 -2.845 1.00 0.00 S ATOM 436 CE MET A 25 4.984 -13.465 -2.664 1.00 0.00 C ATOM 0 H MET A 25 8.158 -7.866 -5.458 1.00 0.00 H new ATOM 0 HA MET A 25 7.736 -10.620 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.126 -10.627 -3.815 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.699 -9.622 -3.659 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.244 -11.331 -4.294 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.476 -12.200 -5.188 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.006 -14.150 -1.816 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.225 -12.701 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.744 -14.019 -3.572 1.00 0.00 H new ATOM 446 N VAL A 26 5.424 -9.986 -7.047 1.00 0.00 N ATOM 447 CA VAL A 26 4.175 -9.528 -7.642 1.00 0.00 C ATOM 448 C VAL A 26 3.021 -10.456 -7.278 1.00 0.00 C ATOM 449 O VAL A 26 3.075 -11.661 -7.527 1.00 0.00 O ATOM 450 CB VAL A 26 4.283 -9.440 -9.176 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.915 -9.194 -9.795 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.264 -8.349 -9.578 1.00 0.00 C ATOM 0 H VAL A 26 5.696 -10.932 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 26 3.979 -8.533 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 26 4.659 -10.392 -9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.012 -9.135 -10.879 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.245 -10.013 -9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.507 -8.257 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.328 -8.300 -10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.920 -7.390 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.248 -8.574 -9.166 1.00 0.00 H new ATOM 462 N THR A 27 1.975 -9.886 -6.688 1.00 0.00 N ATOM 463 CA THR A 27 0.807 -10.661 -6.288 1.00 0.00 C ATOM 464 C THR A 27 -0.478 -10.032 -6.816 1.00 0.00 C ATOM 465 O THR A 27 -0.491 -8.868 -7.215 1.00 0.00 O ATOM 466 CB THR A 27 0.712 -10.786 -4.755 1.00 0.00 C ATOM 467 OG1 THR A 27 0.707 -9.484 -4.158 1.00 0.00 O ATOM 468 CG2 THR A 27 1.875 -11.597 -4.206 1.00 0.00 C ATOM 0 H THR A 27 1.913 -8.890 -6.477 1.00 0.00 H new ATOM 0 HA THR A 27 0.926 -11.655 -6.719 1.00 0.00 H new ATOM 0 HB THR A 27 -0.217 -11.301 -4.510 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.169 -9.502 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.787 -11.672 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.859 -12.596 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.814 -11.105 -4.460 1.00 0.00 H new ATOM 476 N ASP A 28 -1.556 -10.808 -6.813 1.00 0.00 N ATOM 477 CA ASP A 28 -2.847 -10.326 -7.291 1.00 0.00 C ATOM 478 C ASP A 28 -3.459 -9.341 -6.299 1.00 0.00 C ATOM 479 O ASP A 28 -4.531 -8.787 -6.542 1.00 0.00 O ATOM 480 CB ASP A 28 -3.800 -11.498 -7.519 1.00 0.00 C ATOM 481 CG ASP A 28 -3.566 -12.634 -6.543 1.00 0.00 C ATOM 482 OD1 ASP A 28 -2.470 -13.231 -6.578 1.00 0.00 O ATOM 483 OD2 ASP A 28 -4.481 -12.928 -5.744 1.00 0.00 O ATOM 0 H ASP A 28 -1.562 -11.774 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.687 -9.809 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.829 -11.149 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.680 -11.867 -8.537 1.00 0.00 H new ATOM 488 N TYR A 29 -2.772 -9.131 -5.182 1.00 0.00 N ATOM 489 CA TYR A 29 -3.250 -8.216 -4.152 1.00 0.00 C ATOM 490 C TYR A 29 -2.256 -7.082 -3.927 1.00 0.00 C ATOM 491 O TYR A 29 -2.400 -6.290 -2.995 1.00 0.00 O ATOM 492 CB TYR A 29 -3.486 -8.970 -2.841 1.00 0.00 C ATOM 493 CG TYR A 29 -2.318 -9.833 -2.420 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.239 -9.290 -1.735 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.296 -11.193 -2.707 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.169 -10.075 -1.349 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.231 -11.985 -2.323 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.170 -11.422 -1.645 1.00 0.00 C ATOM 499 OH TYR A 29 0.892 -12.207 -1.261 1.00 0.00 O ATOM 0 H TYR A 29 -1.883 -9.582 -4.966 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.192 -7.786 -4.492 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.698 -8.250 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.371 -9.597 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.236 -8.236 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.124 -11.638 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.663 -9.636 -0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.229 -13.040 -2.553 1.00 0.00 H new ATOM 0 HH TYR A 29 0.735 -13.132 -1.545 1.00 0.00 H new ATOM 509 N GLY A 30 -1.247 -7.007 -4.789 1.00 0.00 N ATOM 510 CA GLY A 30 -0.243 -5.967 -4.668 1.00 0.00 C ATOM 511 C GLY A 30 1.143 -6.451 -5.045 1.00 0.00 C ATOM 512 O GLY A 30 1.301 -7.550 -5.577 1.00 0.00 O ATOM 0 H GLY A 30 -1.107 -7.649 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.517 -5.126 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.229 -5.598 -3.643 1.00 0.00 H new ATOM 516 N ALA A 31 2.150 -5.629 -4.772 1.00 0.00 N ATOM 517 CA ALA A 31 3.530 -5.979 -5.086 1.00 0.00 C ATOM 518 C ALA A 31 4.478 -5.515 -3.986 1.00 0.00 C ATOM 519 O ALA A 31 4.213 -4.528 -3.299 1.00 0.00 O ATOM 520 CB ALA A 31 3.936 -5.379 -6.423 1.00 0.00 C ATOM 0 H ALA A 31 2.036 -4.715 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 31 3.597 -7.065 -5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.969 -5.649 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.284 -5.764 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.846 -4.294 -6.377 1.00 0.00 H new ATOM 526 N PHE A 32 5.584 -6.232 -3.823 1.00 0.00 N ATOM 527 CA PHE A 32 6.572 -5.895 -2.804 1.00 0.00 C ATOM 528 C PHE A 32 7.667 -5.002 -3.382 1.00 0.00 C ATOM 529 O PHE A 32 8.253 -5.314 -4.419 1.00 0.00 O ATOM 530 CB PHE A 32 7.191 -7.167 -2.221 1.00 0.00 C ATOM 531 CG PHE A 32 6.278 -7.901 -1.281 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.214 -8.642 -1.765 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.486 -7.848 0.088 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.372 -9.319 -0.901 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.648 -8.523 0.956 1.00 0.00 C ATOM 536 CZ PHE A 32 4.590 -9.259 0.460 1.00 0.00 C ATOM 0 H PHE A 32 5.819 -7.051 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 32 6.064 -5.350 -2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.470 -7.833 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.109 -6.906 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.039 -8.692 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.312 -7.273 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.545 -9.894 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.821 -8.475 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.934 -9.787 1.137 1.00 0.00 H new ATOM 546 N ILE A 33 7.933 -3.891 -2.706 1.00 0.00 N ATOM 547 CA ILE A 33 8.956 -2.952 -3.151 1.00 0.00 C ATOM 548 C ILE A 33 10.111 -2.886 -2.158 1.00 0.00 C ATOM 549 O ILE A 33 9.909 -2.630 -0.970 1.00 0.00 O ATOM 550 CB ILE A 33 8.378 -1.538 -3.346 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.224 -1.569 -4.350 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.465 -0.580 -3.808 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.641 -2.013 -5.735 1.00 0.00 C ATOM 0 H ILE A 33 7.455 -3.618 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 33 9.325 -3.319 -4.109 1.00 0.00 H new ATOM 0 HB ILE A 33 7.993 -1.184 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.449 -2.240 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.781 -0.575 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.040 0.415 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.256 -0.540 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.878 -0.928 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.773 -2.011 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.394 -1.329 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.057 -3.019 -5.685 1.00 0.00 H new ATOM 565 N LYS A 34 11.323 -3.115 -2.651 1.00 0.00 N ATOM 566 CA LYS A 34 12.513 -3.078 -1.808 1.00 0.00 C ATOM 567 C LYS A 34 13.009 -1.647 -1.631 1.00 0.00 C ATOM 568 O LYS A 34 13.275 -0.947 -2.609 1.00 0.00 O ATOM 569 CB LYS A 34 13.620 -3.942 -2.416 1.00 0.00 C ATOM 570 CG LYS A 34 13.261 -5.416 -2.506 1.00 0.00 C ATOM 571 CD LYS A 34 14.458 -6.257 -2.918 1.00 0.00 C ATOM 572 CE LYS A 34 14.298 -7.705 -2.482 1.00 0.00 C ATOM 573 NZ LYS A 34 15.301 -8.593 -3.132 1.00 0.00 N ATOM 0 H LYS A 34 11.508 -3.328 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 34 12.247 -3.475 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.852 -3.571 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.525 -3.833 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.888 -5.760 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.454 -5.552 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.580 -6.213 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.365 -5.842 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.401 -7.772 -1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.294 -8.050 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.159 -9.571 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.186 -8.549 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.259 -8.280 -2.877 1.00 0.00 H new ATOM 587 N ILE A 35 13.134 -1.220 -0.379 1.00 0.00 N ATOM 588 CA ILE A 35 13.602 0.127 -0.075 1.00 0.00 C ATOM 589 C ILE A 35 15.120 0.218 -0.177 1.00 0.00 C ATOM 590 O ILE A 35 15.851 -0.670 0.264 1.00 0.00 O ATOM 591 CB ILE A 35 13.165 0.570 1.334 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.641 0.520 1.459 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.681 1.970 1.632 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.154 0.477 2.890 1.00 0.00 C ATOM 0 H ILE A 35 12.918 -1.787 0.441 1.00 0.00 H new ATOM 0 HA ILE A 35 13.151 0.792 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 35 13.593 -0.117 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.215 1.393 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.270 -0.358 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.364 2.269 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.770 1.975 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.279 2.670 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.065 0.443 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.551 -0.411 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.495 1.368 3.417 1.00 0.00 H new ATOM 606 N PRO A 36 15.610 1.317 -0.770 1.00 0.00 N ATOM 607 CA PRO A 36 17.046 1.551 -0.942 1.00 0.00 C ATOM 608 C PRO A 36 17.749 1.834 0.382 1.00 0.00 C ATOM 609 O PRO A 36 17.316 2.686 1.156 1.00 0.00 O ATOM 610 CB PRO A 36 17.099 2.783 -1.848 1.00 0.00 C ATOM 611 CG PRO A 36 15.810 3.490 -1.603 1.00 0.00 C ATOM 612 CD PRO A 36 14.797 2.416 -1.318 1.00 0.00 C ATOM 0 HA PRO A 36 17.554 0.679 -1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.951 3.417 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.202 2.500 -2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.896 4.178 -0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.518 4.082 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.044 2.753 -0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.268 2.113 -2.221 1.00 0.00 H new ATOM 620 N GLY A 37 18.837 1.112 0.634 1.00 0.00 N ATOM 621 CA GLY A 37 19.584 1.301 1.865 1.00 0.00 C ATOM 622 C GLY A 37 18.828 0.804 3.082 1.00 0.00 C ATOM 623 O GLY A 37 18.947 1.373 4.169 1.00 0.00 O ATOM 0 H GLY A 37 19.214 0.400 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.537 0.776 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.812 2.360 1.990 1.00 0.00 H new ATOM 627 N CYS A 38 18.048 -0.256 2.901 1.00 0.00 N ATOM 628 CA CYS A 38 17.269 -0.826 3.994 1.00 0.00 C ATOM 629 C CYS A 38 17.312 -2.351 3.953 1.00 0.00 C ATOM 630 O CYS A 38 17.921 -2.941 3.062 1.00 0.00 O ATOM 631 CB CYS A 38 15.820 -0.343 3.920 1.00 0.00 C ATOM 632 SG CYS A 38 15.588 1.372 4.447 1.00 0.00 S ATOM 0 H CYS A 38 17.938 -0.738 2.009 1.00 0.00 H new ATOM 0 HA CYS A 38 17.708 -0.493 4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.465 -0.449 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.200 -0.990 4.541 1.00 0.00 H new ATOM 0 HG CYS A 38 16.744 1.961 4.528 1.00 0.00 H new ATOM 638 N ARG A 39 16.660 -2.981 4.925 1.00 0.00 N ATOM 639 CA ARG A 39 16.626 -4.437 5.002 1.00 0.00 C ATOM 640 C ARG A 39 15.214 -4.961 4.757 1.00 0.00 C ATOM 641 O ARG A 39 14.997 -5.821 3.903 1.00 0.00 O ATOM 642 CB ARG A 39 17.128 -4.909 6.367 1.00 0.00 C ATOM 643 CG ARG A 39 18.627 -5.151 6.415 1.00 0.00 C ATOM 644 CD ARG A 39 19.035 -5.879 7.686 1.00 0.00 C ATOM 645 NE ARG A 39 19.351 -4.954 8.770 1.00 0.00 N ATOM 646 CZ ARG A 39 20.353 -4.083 8.722 1.00 0.00 C ATOM 647 NH1 ARG A 39 21.131 -4.020 7.651 1.00 0.00 N ATOM 648 NH2 ARG A 39 20.579 -3.273 9.749 1.00 0.00 N ATOM 0 H ARG A 39 16.149 -2.507 5.669 1.00 0.00 H new ATOM 0 HA ARG A 39 17.281 -4.832 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.865 -4.165 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.611 -5.830 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.930 -5.736 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.152 -4.198 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.228 -6.542 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.902 -6.507 7.481 1.00 0.00 H new ATOM 0 HE ARG A 39 18.772 -4.978 9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.961 -4.641 6.860 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.899 -3.350 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.983 -3.319 10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.348 -2.604 9.712 1.00 0.00 H new ATOM 662 N LYS A 40 14.255 -4.438 5.514 1.00 0.00 N ATOM 663 CA LYS A 40 12.863 -4.851 5.382 1.00 0.00 C ATOM 664 C LYS A 40 12.235 -4.252 4.128 1.00 0.00 C ATOM 665 O LYS A 40 12.664 -3.201 3.650 1.00 0.00 O ATOM 666 CB LYS A 40 12.065 -4.429 6.617 1.00 0.00 C ATOM 667 CG LYS A 40 10.903 -5.355 6.936 1.00 0.00 C ATOM 668 CD LYS A 40 11.381 -6.768 7.228 1.00 0.00 C ATOM 669 CE LYS A 40 10.335 -7.562 7.996 1.00 0.00 C ATOM 670 NZ LYS A 40 10.889 -8.836 8.532 1.00 0.00 N ATOM 0 H LYS A 40 14.417 -3.726 6.226 1.00 0.00 H new ATOM 0 HA LYS A 40 12.839 -5.937 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.735 -4.391 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.683 -3.419 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.355 -4.970 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.208 -5.371 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.610 -7.277 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.305 -6.729 7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.952 -6.958 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.491 -7.780 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.145 -9.348 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.231 -9.424 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.678 -8.627 9.177 1.00 0.00 H new ATOM 684 N GLN A 41 11.217 -4.925 3.602 1.00 0.00 N ATOM 685 CA GLN A 41 10.530 -4.457 2.404 1.00 0.00 C ATOM 686 C GLN A 41 9.082 -4.094 2.714 1.00 0.00 C ATOM 687 O GLN A 41 8.549 -4.460 3.761 1.00 0.00 O ATOM 688 CB GLN A 41 10.578 -5.527 1.312 1.00 0.00 C ATOM 689 CG GLN A 41 11.971 -6.081 1.064 1.00 0.00 C ATOM 690 CD GLN A 41 11.967 -7.272 0.127 1.00 0.00 C ATOM 691 OE1 GLN A 41 12.964 -8.139 0.266 1.00 0.00 O flip ATOM 692 NE2 GLN A 41 11.078 -7.413 -0.713 1.00 0.00 N flip ATOM 0 H GLN A 41 10.850 -5.796 3.986 1.00 0.00 H new ATOM 0 HA GLN A 41 11.041 -3.562 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.914 -6.346 1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.194 -5.104 0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.601 -5.296 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.416 -6.373 2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.331 -6.723 -0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.089 -8.220 -1.336 1.00 0.00 H new ATOM 701 N GLY A 42 8.447 -3.371 1.796 1.00 0.00 N ATOM 702 CA GLY A 42 7.066 -2.970 1.990 1.00 0.00 C ATOM 703 C GLY A 42 6.151 -3.501 0.906 1.00 0.00 C ATOM 704 O GLY A 42 6.587 -3.751 -0.219 1.00 0.00 O ATOM 0 H GLY A 42 8.865 -3.056 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.720 -3.327 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.006 -1.882 2.011 1.00 0.00 H new ATOM 708 N LEU A 43 4.878 -3.676 1.242 1.00 0.00 N ATOM 709 CA LEU A 43 3.897 -4.184 0.288 1.00 0.00 C ATOM 710 C LEU A 43 2.989 -3.063 -0.208 1.00 0.00 C ATOM 711 O LEU A 43 2.520 -2.237 0.577 1.00 0.00 O ATOM 712 CB LEU A 43 3.057 -5.290 0.930 1.00 0.00 C ATOM 713 CG LEU A 43 1.768 -5.664 0.197 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.072 -6.551 -1.000 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.799 -6.358 1.144 1.00 0.00 C ATOM 0 H LEU A 43 4.500 -3.474 2.168 1.00 0.00 H new ATOM 0 HA LEU A 43 4.436 -4.595 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.675 -6.184 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.799 -4.981 1.943 1.00 0.00 H new ATOM 0 HG LEU A 43 1.300 -4.749 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.143 -6.807 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.729 -6.020 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.563 -7.463 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.113 -6.617 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.260 -7.265 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.555 -5.689 1.970 1.00 0.00 H new ATOM 727 N VAL A 44 2.742 -3.041 -1.513 1.00 0.00 N ATOM 728 CA VAL A 44 1.887 -2.024 -2.112 1.00 0.00 C ATOM 729 C VAL A 44 0.571 -2.627 -2.595 1.00 0.00 C ATOM 730 O VAL A 44 0.552 -3.455 -3.505 1.00 0.00 O ATOM 731 CB VAL A 44 2.585 -1.330 -3.297 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.680 -0.271 -3.906 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.907 -0.723 -2.854 1.00 0.00 C ATOM 0 H VAL A 44 3.122 -3.716 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 44 1.683 -1.286 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 44 2.793 -2.078 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.191 0.208 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.762 -0.738 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.437 0.478 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.387 -0.237 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.725 0.012 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.558 -1.509 -2.471 1.00 0.00 H new ATOM 743 N HIS A 45 -0.528 -2.203 -1.978 1.00 0.00 N ATOM 744 CA HIS A 45 -1.849 -2.700 -2.344 1.00 0.00 C ATOM 745 C HIS A 45 -2.097 -2.531 -3.840 1.00 0.00 C ATOM 746 O HIS A 45 -1.688 -1.537 -4.439 1.00 0.00 O ATOM 747 CB HIS A 45 -2.931 -1.967 -1.551 1.00 0.00 C ATOM 748 CG HIS A 45 -4.179 -2.772 -1.354 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.372 -2.221 -0.941 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.413 -4.095 -1.519 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.288 -3.169 -0.858 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.732 -4.317 -1.203 1.00 0.00 N ATOM 0 H HIS A 45 -0.529 -1.517 -1.223 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.890 -3.762 -2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.530 -1.689 -0.576 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.184 -1.041 -2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.697 -4.837 -1.839 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.316 -3.030 -0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.205 -5.220 -1.230 1.00 0.00 H new ATOM 760 N ARG A 46 -2.768 -3.511 -4.439 1.00 0.00 N ATOM 761 CA ARG A 46 -3.068 -3.471 -5.865 1.00 0.00 C ATOM 762 C ARG A 46 -3.907 -2.243 -6.210 1.00 0.00 C ATOM 763 O ARG A 46 -3.803 -1.695 -7.308 1.00 0.00 O ATOM 764 CB ARG A 46 -3.807 -4.742 -6.287 1.00 0.00 C ATOM 765 CG ARG A 46 -5.224 -4.833 -5.742 1.00 0.00 C ATOM 766 CD ARG A 46 -6.102 -5.714 -6.617 1.00 0.00 C ATOM 767 NE ARG A 46 -7.501 -5.678 -6.201 1.00 0.00 N ATOM 768 CZ ARG A 46 -7.963 -6.303 -5.123 1.00 0.00 C ATOM 769 NH1 ARG A 46 -7.140 -7.006 -4.357 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.250 -6.222 -4.809 1.00 0.00 N ATOM 0 H ARG A 46 -3.114 -4.342 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.125 -3.409 -6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.842 -4.787 -7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.241 -5.610 -5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.200 -5.233 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.656 -3.834 -5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.024 -5.388 -7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.739 -6.741 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.159 -5.144 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.150 -7.068 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.497 -7.485 -3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.885 -5.680 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.604 -6.702 -3.982 1.00 0.00 H new ATOM 784 N THR A 47 -4.740 -1.817 -5.265 1.00 0.00 N ATOM 785 CA THR A 47 -5.596 -0.656 -5.469 1.00 0.00 C ATOM 786 C THR A 47 -4.812 0.641 -5.314 1.00 0.00 C ATOM 787 O THR A 47 -5.262 1.706 -5.740 1.00 0.00 O ATOM 788 CB THR A 47 -6.778 -0.650 -4.481 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.683 0.412 -4.806 1.00 0.00 O ATOM 790 CG2 THR A 47 -6.286 -0.484 -3.051 1.00 0.00 C ATOM 0 H THR A 47 -4.839 -2.259 -4.351 1.00 0.00 H new ATOM 0 HA THR A 47 -5.982 -0.723 -6.486 1.00 0.00 H new ATOM 0 HB THR A 47 -7.296 -1.606 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.190 1.143 -5.234 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.138 -0.483 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.620 -1.309 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.747 0.459 -2.959 1.00 0.00 H new ATOM 798 N HIS A 48 -3.636 0.547 -4.703 1.00 0.00 N ATOM 799 CA HIS A 48 -2.787 1.714 -4.492 1.00 0.00 C ATOM 800 C HIS A 48 -1.789 1.873 -5.635 1.00 0.00 C ATOM 801 O HIS A 48 -1.348 2.981 -5.938 1.00 0.00 O ATOM 802 CB HIS A 48 -2.042 1.597 -3.162 1.00 0.00 C ATOM 803 CG HIS A 48 -2.795 2.170 -2.002 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.840 3.520 -1.727 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.538 1.568 -1.043 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.576 3.723 -0.648 1.00 0.00 C ATOM 807 NE2 HIS A 48 -4.012 2.555 -0.215 1.00 0.00 N ATOM 0 H HIS A 48 -3.249 -0.326 -4.345 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.426 2.597 -4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.831 0.546 -2.964 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.081 2.104 -3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.723 0.508 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.785 4.682 -0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.605 2.409 0.602 1.00 0.00 H new ATOM 815 N MET A 49 -1.436 0.758 -6.266 1.00 0.00 N ATOM 816 CA MET A 49 -0.490 0.774 -7.375 1.00 0.00 C ATOM 817 C MET A 49 -0.947 1.738 -8.466 1.00 0.00 C ATOM 818 O MET A 49 -0.140 2.467 -9.041 1.00 0.00 O ATOM 819 CB MET A 49 -0.329 -0.632 -7.956 1.00 0.00 C ATOM 820 CG MET A 49 0.583 -1.529 -7.135 1.00 0.00 C ATOM 821 SD MET A 49 1.457 -2.742 -8.143 1.00 0.00 S ATOM 822 CE MET A 49 0.325 -4.127 -8.062 1.00 0.00 C ATOM 0 H MET A 49 -1.791 -0.168 -6.028 1.00 0.00 H new ATOM 0 HA MET A 49 0.473 1.115 -6.994 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.311 -1.099 -8.033 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.067 -0.555 -8.969 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.309 -0.913 -6.604 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.008 -2.048 -6.380 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.451 -4.752 -8.946 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.534 -4.716 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.700 -3.758 -8.021 1.00 0.00 H new ATOM 832 N SER A 50 -2.247 1.735 -8.744 1.00 0.00 N ATOM 833 CA SER A 50 -2.810 2.607 -9.768 1.00 0.00 C ATOM 834 C SER A 50 -4.056 3.320 -9.249 1.00 0.00 C ATOM 835 O SER A 50 -4.824 2.761 -8.466 1.00 0.00 O ATOM 836 CB SER A 50 -3.157 1.800 -11.021 1.00 0.00 C ATOM 837 OG SER A 50 -2.060 1.758 -11.919 1.00 0.00 O ATOM 0 H SER A 50 -2.929 1.139 -8.275 1.00 0.00 H new ATOM 0 HA SER A 50 -2.061 3.357 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.439 0.786 -10.738 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.020 2.244 -11.516 1.00 0.00 H new ATOM 0 HG SER A 50 -2.305 1.235 -12.711 1.00 0.00 H new ATOM 843 N SER A 51 -4.249 4.558 -9.692 1.00 0.00 N ATOM 844 CA SER A 51 -5.398 5.351 -9.271 1.00 0.00 C ATOM 845 C SER A 51 -6.700 4.721 -9.757 1.00 0.00 C ATOM 846 O SER A 51 -7.534 4.295 -8.956 1.00 0.00 O ATOM 847 CB SER A 51 -5.281 6.781 -9.802 1.00 0.00 C ATOM 848 OG SER A 51 -5.228 6.796 -11.218 1.00 0.00 O ATOM 0 H SER A 51 -3.624 5.034 -10.343 1.00 0.00 H new ATOM 0 HA SER A 51 -5.411 5.376 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.132 7.370 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.385 7.251 -9.396 1.00 0.00 H new ATOM 0 HG SER A 51 -5.155 7.721 -11.533 1.00 0.00 H new ATOM 854 N CYS A 52 -6.867 4.665 -11.074 1.00 0.00 N ATOM 855 CA CYS A 52 -8.068 4.088 -11.668 1.00 0.00 C ATOM 856 C CYS A 52 -8.320 2.683 -11.131 1.00 0.00 C ATOM 857 O CYS A 52 -7.519 2.150 -10.363 1.00 0.00 O ATOM 858 CB CYS A 52 -7.940 4.050 -13.191 1.00 0.00 C ATOM 859 SG CYS A 52 -9.515 4.183 -14.069 1.00 0.00 S ATOM 0 H CYS A 52 -6.187 5.012 -11.750 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.916 4.717 -11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -7.289 4.864 -13.510 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.453 3.119 -13.481 1.00 0.00 H new ATOM 0 HG CYS A 52 -9.302 4.143 -15.351 1.00 0.00 H new ATOM 865 N ARG A 53 -9.436 2.089 -11.540 1.00 0.00 N ATOM 866 CA ARG A 53 -9.794 0.747 -11.098 1.00 0.00 C ATOM 867 C ARG A 53 -8.783 -0.279 -11.602 1.00 0.00 C ATOM 868 O ARG A 53 -8.409 -0.273 -12.775 1.00 0.00 O ATOM 869 CB ARG A 53 -11.196 0.383 -11.589 1.00 0.00 C ATOM 870 CG ARG A 53 -11.739 -0.901 -10.983 1.00 0.00 C ATOM 871 CD ARG A 53 -11.317 -2.120 -11.789 1.00 0.00 C ATOM 872 NE ARG A 53 -11.673 -1.993 -13.200 1.00 0.00 N ATOM 873 CZ ARG A 53 -12.904 -2.175 -13.667 1.00 0.00 C ATOM 874 NH1 ARG A 53 -13.891 -2.489 -12.839 1.00 0.00 N ATOM 875 NH2 ARG A 53 -13.150 -2.041 -14.964 1.00 0.00 N ATOM 0 H ARG A 53 -10.108 2.516 -12.177 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.784 0.735 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.877 1.201 -11.356 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.177 0.283 -12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.382 -1.000 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.827 -0.852 -10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.240 -2.260 -11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.790 -3.010 -11.374 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.937 -1.751 -13.863 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.706 -2.591 -11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.835 -2.628 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.394 -1.798 -15.604 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.095 -2.181 -15.321 1.00 0.00 H new ATOM 889 N VAL A 54 -8.346 -1.159 -10.707 1.00 0.00 N ATOM 890 CA VAL A 54 -7.379 -2.191 -11.061 1.00 0.00 C ATOM 891 C VAL A 54 -7.996 -3.582 -10.956 1.00 0.00 C ATOM 892 O VAL A 54 -8.764 -3.862 -10.036 1.00 0.00 O ATOM 893 CB VAL A 54 -6.132 -2.126 -10.159 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.346 -3.426 -10.238 1.00 0.00 C ATOM 895 CG2 VAL A 54 -5.259 -0.941 -10.541 1.00 0.00 C ATOM 0 H VAL A 54 -8.646 -1.178 -9.732 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.082 -2.005 -12.093 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.458 -1.990 -9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.469 -3.361 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.976 -4.253 -9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.029 -3.598 -11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.383 -0.911 -9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.940 -1.043 -11.578 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.827 -0.018 -10.426 1.00 0.00 H new ATOM 905 N ASP A 55 -7.656 -4.448 -11.904 1.00 0.00 N ATOM 906 CA ASP A 55 -8.175 -5.810 -11.917 1.00 0.00 C ATOM 907 C ASP A 55 -7.043 -6.823 -12.052 1.00 0.00 C ATOM 908 O ASP A 55 -7.136 -7.945 -11.555 1.00 0.00 O ATOM 909 CB ASP A 55 -9.173 -5.987 -13.064 1.00 0.00 C ATOM 910 CG ASP A 55 -9.771 -7.378 -13.100 1.00 0.00 C ATOM 911 OD1 ASP A 55 -8.997 -8.358 -13.112 1.00 0.00 O ATOM 912 OD2 ASP A 55 -11.015 -7.489 -13.117 1.00 0.00 O ATOM 0 H ASP A 55 -7.023 -4.231 -12.674 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.685 -5.987 -10.970 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.973 -5.253 -12.963 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.673 -5.785 -14.011 1.00 0.00 H new ATOM 917 N LYS A 56 -5.971 -6.419 -12.726 1.00 0.00 N ATOM 918 CA LYS A 56 -4.820 -7.289 -12.927 1.00 0.00 C ATOM 919 C LYS A 56 -3.522 -6.559 -12.597 1.00 0.00 C ATOM 920 O LYS A 56 -2.838 -6.029 -13.474 1.00 0.00 O ATOM 921 CB LYS A 56 -4.780 -7.793 -14.372 1.00 0.00 C ATOM 922 CG LYS A 56 -5.771 -8.908 -14.654 1.00 0.00 C ATOM 923 CD LYS A 56 -5.388 -9.694 -15.896 1.00 0.00 C ATOM 924 CE LYS A 56 -5.927 -9.038 -17.158 1.00 0.00 C ATOM 925 NZ LYS A 56 -7.349 -9.404 -17.409 1.00 0.00 N ATOM 0 H LYS A 56 -5.876 -5.493 -13.143 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.919 -8.141 -12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.983 -6.959 -15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.774 -8.147 -14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.817 -9.580 -13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.768 -8.486 -14.782 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.303 -9.770 -15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.775 -10.710 -15.819 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.841 -7.955 -17.070 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.319 -9.338 -18.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.679 -8.937 -18.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.428 -10.435 -17.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.934 -9.095 -16.606 1.00 0.00 H new ATOM 939 N PRO A 57 -3.171 -6.529 -11.302 1.00 0.00 N ATOM 940 CA PRO A 57 -1.951 -5.869 -10.827 1.00 0.00 C ATOM 941 C PRO A 57 -0.687 -6.607 -11.254 1.00 0.00 C ATOM 942 O PRO A 57 0.397 -6.027 -11.300 1.00 0.00 O ATOM 943 CB PRO A 57 -2.101 -5.901 -9.304 1.00 0.00 C ATOM 944 CG PRO A 57 -2.992 -7.064 -9.036 1.00 0.00 C ATOM 945 CD PRO A 57 -3.937 -7.140 -10.203 1.00 0.00 C ATOM 0 HA PRO A 57 -1.845 -4.865 -11.238 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.135 -6.021 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.536 -4.974 -8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.415 -7.984 -8.941 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.536 -6.931 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.214 -8.170 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.862 -6.597 -10.007 1.00 0.00 H new ATOM 953 N SER A 58 -0.835 -7.890 -11.567 1.00 0.00 N ATOM 954 CA SER A 58 0.296 -8.710 -11.988 1.00 0.00 C ATOM 955 C SER A 58 0.790 -8.286 -13.368 1.00 0.00 C ATOM 956 O SER A 58 1.843 -8.730 -13.826 1.00 0.00 O ATOM 957 CB SER A 58 -0.098 -10.188 -12.007 1.00 0.00 C ATOM 958 OG SER A 58 -0.858 -10.528 -10.861 1.00 0.00 O ATOM 0 H SER A 58 -1.727 -8.385 -11.537 1.00 0.00 H new ATOM 0 HA SER A 58 1.105 -8.566 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.675 -10.402 -12.907 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.799 -10.806 -12.049 1.00 0.00 H new ATOM 0 HG SER A 58 -1.099 -11.477 -10.898 1.00 0.00 H new ATOM 964 N GLU A 59 0.022 -7.423 -14.026 1.00 0.00 N ATOM 965 CA GLU A 59 0.381 -6.939 -15.354 1.00 0.00 C ATOM 966 C GLU A 59 0.855 -5.490 -15.295 1.00 0.00 C ATOM 967 O GLU A 59 1.399 -4.964 -16.267 1.00 0.00 O ATOM 968 CB GLU A 59 -0.812 -7.058 -16.304 1.00 0.00 C ATOM 969 CG GLU A 59 -1.295 -8.486 -16.500 1.00 0.00 C ATOM 970 CD GLU A 59 -0.359 -9.303 -17.370 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.862 -9.284 -17.110 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.850 -9.961 -18.312 1.00 0.00 O ATOM 0 H GLU A 59 -0.852 -7.045 -13.661 1.00 0.00 H new ATOM 0 HA GLU A 59 1.198 -7.556 -15.729 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.634 -6.455 -15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.537 -6.640 -17.273 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.396 -8.968 -15.528 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.286 -8.472 -16.953 1.00 0.00 H new ATOM 979 N ILE A 60 0.647 -4.851 -14.149 1.00 0.00 N ATOM 980 CA ILE A 60 1.053 -3.464 -13.963 1.00 0.00 C ATOM 981 C ILE A 60 2.517 -3.371 -13.548 1.00 0.00 C ATOM 982 O ILE A 60 3.245 -2.485 -13.993 1.00 0.00 O ATOM 983 CB ILE A 60 0.184 -2.760 -12.904 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.298 -2.881 -13.265 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.587 -1.298 -12.776 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.223 -2.291 -12.224 1.00 0.00 C ATOM 0 H ILE A 60 0.199 -5.272 -13.335 1.00 0.00 H new ATOM 0 HA ILE A 60 0.918 -2.964 -14.922 1.00 0.00 H new ATOM 0 HB ILE A 60 0.344 -3.247 -11.942 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.473 -2.383 -14.219 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.545 -3.933 -13.404 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.036 -0.813 -12.024 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.633 -1.234 -12.477 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.453 -0.798 -13.735 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.257 -2.412 -12.546 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.076 -2.804 -11.274 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.003 -1.231 -12.101 1.00 0.00 H new ATOM 998 N VAL A 61 2.943 -4.295 -12.691 1.00 0.00 N ATOM 999 CA VAL A 61 4.322 -4.319 -12.216 1.00 0.00 C ATOM 1000 C VAL A 61 4.942 -5.700 -12.403 1.00 0.00 C ATOM 1001 O VAL A 61 4.235 -6.707 -12.463 1.00 0.00 O ATOM 1002 CB VAL A 61 4.412 -3.924 -10.731 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.534 -2.714 -10.446 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.022 -5.096 -9.843 1.00 0.00 C ATOM 0 H VAL A 61 2.353 -5.036 -12.312 1.00 0.00 H new ATOM 0 HA VAL A 61 4.875 -3.591 -12.810 1.00 0.00 H new ATOM 0 HB VAL A 61 5.444 -3.655 -10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.610 -2.449 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.864 -1.873 -11.056 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.498 -2.952 -10.686 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.091 -4.799 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.999 -5.398 -10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.696 -5.933 -10.028 1.00 0.00 H new ATOM 1014 N ASP A 62 6.266 -5.739 -12.492 1.00 0.00 N ATOM 1015 CA ASP A 62 6.983 -6.997 -12.669 1.00 0.00 C ATOM 1016 C ASP A 62 8.351 -6.944 -11.995 1.00 0.00 C ATOM 1017 O ASP A 62 9.061 -5.942 -12.089 1.00 0.00 O ATOM 1018 CB ASP A 62 7.145 -7.312 -14.157 1.00 0.00 C ATOM 1019 CG ASP A 62 5.906 -6.970 -14.960 1.00 0.00 C ATOM 1020 OD1 ASP A 62 4.931 -7.748 -14.905 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.910 -5.924 -15.642 1.00 0.00 O ATOM 0 H ASP A 62 6.865 -4.915 -12.445 1.00 0.00 H new ATOM 0 HA ASP A 62 6.398 -7.788 -12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.995 -6.756 -14.552 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.372 -8.371 -14.278 1.00 0.00 H new ATOM 1026 N VAL A 63 8.713 -8.026 -11.315 1.00 0.00 N ATOM 1027 CA VAL A 63 9.996 -8.102 -10.627 1.00 0.00 C ATOM 1028 C VAL A 63 11.121 -7.549 -11.494 1.00 0.00 C ATOM 1029 O VAL A 63 11.395 -8.066 -12.576 1.00 0.00 O ATOM 1030 CB VAL A 63 10.335 -9.551 -10.229 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.682 -9.610 -9.525 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.238 -10.132 -9.349 1.00 0.00 C ATOM 0 H VAL A 63 8.136 -8.862 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 63 9.906 -7.496 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 63 10.399 -10.153 -11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.905 -10.641 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.458 -9.236 -10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.650 -8.995 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.494 -11.156 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.140 -9.530 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.294 -10.126 -9.893 1.00 0.00 H new ATOM 1042 N GLY A 64 11.769 -6.493 -11.012 1.00 0.00 N ATOM 1043 CA GLY A 64 12.857 -5.887 -11.757 1.00 0.00 C ATOM 1044 C GLY A 64 12.578 -4.442 -12.117 1.00 0.00 C ATOM 1045 O GLY A 64 13.501 -3.673 -12.389 1.00 0.00 O ATOM 0 H GLY A 64 11.560 -6.046 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.772 -5.941 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.032 -6.458 -12.669 1.00 0.00 H new ATOM 1049 N ASP A 65 11.302 -4.071 -12.123 1.00 0.00 N ATOM 1050 CA ASP A 65 10.904 -2.708 -12.454 1.00 0.00 C ATOM 1051 C ASP A 65 10.987 -1.804 -11.228 1.00 0.00 C ATOM 1052 O ASP A 65 10.559 -2.179 -10.136 1.00 0.00 O ATOM 1053 CB ASP A 65 9.483 -2.692 -13.019 1.00 0.00 C ATOM 1054 CG ASP A 65 9.378 -3.426 -14.341 1.00 0.00 C ATOM 1055 OD1 ASP A 65 9.708 -4.630 -14.380 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.965 -2.797 -15.338 1.00 0.00 O ATOM 0 H ASP A 65 10.526 -4.695 -11.902 1.00 0.00 H new ATOM 0 HA ASP A 65 11.592 -2.329 -13.210 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.803 -3.148 -12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.160 -1.660 -13.153 1.00 0.00 H new ATOM 1061 N LYS A 66 11.541 -0.611 -11.415 1.00 0.00 N ATOM 1062 CA LYS A 66 11.682 0.347 -10.325 1.00 0.00 C ATOM 1063 C LYS A 66 10.590 1.411 -10.392 1.00 0.00 C ATOM 1064 O LYS A 66 10.329 1.982 -11.451 1.00 0.00 O ATOM 1065 CB LYS A 66 13.058 1.012 -10.376 1.00 0.00 C ATOM 1066 CG LYS A 66 13.171 2.249 -9.502 1.00 0.00 C ATOM 1067 CD LYS A 66 14.617 2.560 -9.157 1.00 0.00 C ATOM 1068 CE LYS A 66 15.421 2.918 -10.398 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.867 2.601 -10.233 1.00 0.00 N ATOM 0 H LYS A 66 11.900 -0.284 -12.312 1.00 0.00 H new ATOM 0 HA LYS A 66 11.582 -0.195 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.813 0.289 -10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.282 1.285 -11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.728 3.101 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.601 2.100 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.653 3.387 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.069 1.698 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.026 2.374 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.304 3.980 -10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.380 2.859 -11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.251 3.139 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.981 1.583 -10.054 1.00 0.00 H new ATOM 1083 N VAL A 67 9.954 1.672 -9.254 1.00 0.00 N ATOM 1084 CA VAL A 67 8.892 2.669 -9.184 1.00 0.00 C ATOM 1085 C VAL A 67 8.971 3.465 -7.886 1.00 0.00 C ATOM 1086 O VAL A 67 9.699 3.097 -6.964 1.00 0.00 O ATOM 1087 CB VAL A 67 7.501 2.015 -9.288 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.289 1.431 -10.676 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.334 0.947 -8.219 1.00 0.00 C ATOM 0 H VAL A 67 10.156 1.207 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 67 9.033 3.342 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 67 6.744 2.782 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.301 0.973 -10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.363 2.224 -11.420 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.050 0.676 -10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.346 0.495 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.097 0.179 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.440 1.400 -7.233 1.00 0.00 H new ATOM 1099 N TRP A 68 8.218 4.557 -7.822 1.00 0.00 N ATOM 1100 CA TRP A 68 8.203 5.406 -6.636 1.00 0.00 C ATOM 1101 C TRP A 68 6.993 5.097 -5.761 1.00 0.00 C ATOM 1102 O TRP A 68 5.877 4.944 -6.259 1.00 0.00 O ATOM 1103 CB TRP A 68 8.192 6.881 -7.040 1.00 0.00 C ATOM 1104 CG TRP A 68 9.457 7.322 -7.711 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.701 7.361 -9.054 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.651 7.787 -7.070 1.00 0.00 C ATOM 1107 NE1 TRP A 68 10.975 7.820 -9.287 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.578 8.089 -8.087 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.025 7.977 -5.738 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.854 8.570 -7.809 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.292 8.455 -5.465 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.195 8.748 -6.497 1.00 0.00 C ATOM 0 H TRP A 68 7.610 4.875 -8.577 1.00 0.00 H new ATOM 0 HA TRP A 68 9.106 5.201 -6.061 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.352 7.060 -7.711 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.028 7.492 -6.153 1.00 0.00 H new ATOM 0 HD1 TRP A 68 8.996 7.073 -9.820 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.403 7.941 -10.205 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.337 7.754 -4.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.551 8.795 -8.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.592 8.606 -4.439 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.178 9.121 -6.251 1.00 0.00 H new ATOM 1123 N VAL A 69 7.220 5.006 -4.455 1.00 0.00 N ATOM 1124 CA VAL A 69 6.148 4.717 -3.510 1.00 0.00 C ATOM 1125 C VAL A 69 6.248 5.605 -2.276 1.00 0.00 C ATOM 1126 O VAL A 69 7.300 6.179 -1.993 1.00 0.00 O ATOM 1127 CB VAL A 69 6.171 3.241 -3.070 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.196 2.323 -4.282 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.363 2.973 -2.163 1.00 0.00 C ATOM 0 H VAL A 69 8.138 5.128 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 69 5.209 4.921 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 69 5.261 3.034 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.212 1.284 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.307 2.497 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.087 2.529 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.363 1.925 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.285 3.197 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.296 3.605 -1.277 1.00 0.00 H new ATOM 1139 N LYS A 70 5.146 5.714 -1.540 1.00 0.00 N ATOM 1140 CA LYS A 70 5.108 6.531 -0.334 1.00 0.00 C ATOM 1141 C LYS A 70 4.511 5.752 0.833 1.00 0.00 C ATOM 1142 O LYS A 70 3.443 5.149 0.708 1.00 0.00 O ATOM 1143 CB LYS A 70 4.296 7.804 -0.580 1.00 0.00 C ATOM 1144 CG LYS A 70 4.025 8.607 0.681 1.00 0.00 C ATOM 1145 CD LYS A 70 2.884 9.591 0.481 1.00 0.00 C ATOM 1146 CE LYS A 70 1.531 8.907 0.606 1.00 0.00 C ATOM 1147 NZ LYS A 70 1.030 8.919 2.008 1.00 0.00 N ATOM 0 H LYS A 70 4.267 5.246 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 70 6.132 6.805 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.829 8.433 -1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.345 7.535 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.783 7.930 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.926 9.147 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.958 10.391 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.969 10.054 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.810 9.407 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.611 7.877 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.005 8.816 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.456 8.131 2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.288 9.819 2.461 1.00 0.00 H new ATOM 1161 N LEU A 71 5.203 5.768 1.967 1.00 0.00 N ATOM 1162 CA LEU A 71 4.739 5.064 3.157 1.00 0.00 C ATOM 1163 C LEU A 71 3.409 5.632 3.643 1.00 0.00 C ATOM 1164 O LEU A 71 3.281 6.837 3.862 1.00 0.00 O ATOM 1165 CB LEU A 71 5.784 5.159 4.269 1.00 0.00 C ATOM 1166 CG LEU A 71 5.716 4.078 5.349 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.369 2.794 4.861 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.378 4.562 6.630 1.00 0.00 C ATOM 0 H LEU A 71 6.088 6.261 2.087 1.00 0.00 H new ATOM 0 HA LEU A 71 4.591 4.017 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.774 5.127 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.686 6.132 4.750 1.00 0.00 H new ATOM 0 HG LEU A 71 4.668 3.870 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.311 2.037 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.850 2.438 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.414 2.987 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.320 3.780 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.423 4.799 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.865 5.454 6.990 1.00 0.00 H new ATOM 1180 N ILE A 72 2.424 4.757 3.810 1.00 0.00 N ATOM 1181 CA ILE A 72 1.105 5.171 4.274 1.00 0.00 C ATOM 1182 C ILE A 72 0.830 4.655 5.682 1.00 0.00 C ATOM 1183 O ILE A 72 -0.003 5.203 6.403 1.00 0.00 O ATOM 1184 CB ILE A 72 -0.006 4.673 3.330 1.00 0.00 C ATOM 1185 CG1 ILE A 72 -0.113 3.148 3.394 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.266 5.131 1.905 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -1.002 2.559 2.321 1.00 0.00 C ATOM 0 H ILE A 72 2.514 3.757 3.631 1.00 0.00 H new ATOM 0 HA ILE A 72 1.102 6.261 4.283 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.956 5.099 3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.885 2.718 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.498 2.860 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.527 4.772 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.298 6.220 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.223 4.730 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.031 1.475 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.010 2.961 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.606 2.817 1.339 1.00 0.00 H new ATOM 1199 N GLY A 73 1.538 3.598 6.067 1.00 0.00 N ATOM 1200 CA GLY A 73 1.356 3.026 7.389 1.00 0.00 C ATOM 1201 C GLY A 73 2.474 2.074 7.767 1.00 0.00 C ATOM 1202 O GLY A 73 2.691 1.064 7.096 1.00 0.00 O ATOM 0 H GLY A 73 2.234 3.128 5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.302 3.829 8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.404 2.496 7.425 1.00 0.00 H new ATOM 1206 N ARG A 74 3.185 2.395 8.843 1.00 0.00 N ATOM 1207 CA ARG A 74 4.288 1.561 9.306 1.00 0.00 C ATOM 1208 C ARG A 74 4.024 1.048 10.719 1.00 0.00 C ATOM 1209 O ARG A 74 3.709 1.822 11.622 1.00 0.00 O ATOM 1210 CB ARG A 74 5.599 2.349 9.274 1.00 0.00 C ATOM 1211 CG ARG A 74 5.671 3.452 10.319 1.00 0.00 C ATOM 1212 CD ARG A 74 6.982 4.219 10.229 1.00 0.00 C ATOM 1213 NE ARG A 74 8.139 3.349 10.430 1.00 0.00 N ATOM 1214 CZ ARG A 74 9.382 3.799 10.562 1.00 0.00 C ATOM 1215 NH1 ARG A 74 9.628 5.100 10.515 1.00 0.00 N ATOM 1216 NH2 ARG A 74 10.381 2.945 10.741 1.00 0.00 N ATOM 0 H ARG A 74 3.017 3.226 9.410 1.00 0.00 H new ATOM 0 HA ARG A 74 4.371 0.705 8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.431 1.661 9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.725 2.788 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.836 4.139 10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.569 3.019 11.314 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.055 4.700 9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.990 5.012 10.977 1.00 0.00 H new ATOM 0 HE ARG A 74 7.984 2.342 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.862 5.759 10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.583 5.442 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.195 1.943 10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.335 3.291 10.842 1.00 0.00 H new ATOM 1230 N GLU A 75 4.155 -0.262 10.901 1.00 0.00 N ATOM 1231 CA GLU A 75 3.930 -0.879 12.203 1.00 0.00 C ATOM 1232 C GLU A 75 4.962 -1.969 12.475 1.00 0.00 C ATOM 1233 O GLU A 75 5.115 -2.903 11.689 1.00 0.00 O ATOM 1234 CB GLU A 75 2.519 -1.467 12.276 1.00 0.00 C ATOM 1235 CG GLU A 75 1.467 -0.470 12.734 1.00 0.00 C ATOM 1236 CD GLU A 75 0.122 -1.119 12.993 1.00 0.00 C ATOM 1237 OE1 GLU A 75 0.080 -2.128 13.728 1.00 0.00 O ATOM 1238 OE2 GLU A 75 -0.891 -0.618 12.460 1.00 0.00 O ATOM 0 H GLU A 75 4.416 -0.917 10.163 1.00 0.00 H new ATOM 0 HA GLU A 75 4.034 -0.107 12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.242 -1.849 11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.523 -2.317 12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.810 0.022 13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.352 0.305 11.976 1.00 0.00 H new ATOM 1245 N MET A 76 5.668 -1.842 13.594 1.00 0.00 N ATOM 1246 CA MET A 76 6.685 -2.816 13.970 1.00 0.00 C ATOM 1247 C MET A 76 6.310 -3.518 15.271 1.00 0.00 C ATOM 1248 O MET A 76 6.257 -2.896 16.332 1.00 0.00 O ATOM 1249 CB MET A 76 8.046 -2.133 14.119 1.00 0.00 C ATOM 1250 CG MET A 76 9.087 -2.998 14.811 1.00 0.00 C ATOM 1251 SD MET A 76 9.049 -2.829 16.607 1.00 0.00 S ATOM 1252 CE MET A 76 10.135 -4.167 17.095 1.00 0.00 C ATOM 0 H MET A 76 5.554 -1.074 14.256 1.00 0.00 H new ATOM 0 HA MET A 76 6.747 -3.563 13.179 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.414 -1.856 13.131 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.920 -1.209 14.683 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.921 -4.042 14.545 1.00 0.00 H new ATOM 0 HG3 MET A 76 10.078 -2.729 14.446 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.214 -4.194 18.182 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.730 -5.114 16.737 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.123 -4.009 16.663 1.00 0.00 H new ATOM 1262 N LYS A 77 6.050 -4.818 15.183 1.00 0.00 N ATOM 1263 CA LYS A 77 5.680 -5.606 16.352 1.00 0.00 C ATOM 1264 C LYS A 77 6.717 -6.691 16.627 1.00 0.00 C ATOM 1265 O LYS A 77 7.311 -7.244 15.702 1.00 0.00 O ATOM 1266 CB LYS A 77 4.302 -6.242 16.151 1.00 0.00 C ATOM 1267 CG LYS A 77 3.153 -5.355 16.598 1.00 0.00 C ATOM 1268 CD LYS A 77 2.854 -5.532 18.076 1.00 0.00 C ATOM 1269 CE LYS A 77 1.743 -4.599 18.536 1.00 0.00 C ATOM 1270 NZ LYS A 77 1.344 -4.865 19.946 1.00 0.00 N ATOM 0 H LYS A 77 6.089 -5.349 14.313 1.00 0.00 H new ATOM 0 HA LYS A 77 5.642 -4.937 17.212 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.173 -6.485 15.096 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.261 -7.182 16.702 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.398 -4.312 16.398 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.263 -5.590 16.015 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.566 -6.565 18.269 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.756 -5.339 18.656 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.075 -3.565 18.441 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.877 -4.717 17.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.585 -4.209 20.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.004 -5.844 20.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.164 -4.728 20.571 1.00 0.00 H new ATOM 1284 N ASN A 78 6.927 -6.993 17.905 1.00 0.00 N ATOM 1285 CA ASN A 78 7.890 -8.014 18.300 1.00 0.00 C ATOM 1286 C ASN A 78 7.527 -9.369 17.698 1.00 0.00 C ATOM 1287 O ASN A 78 8.337 -10.296 17.696 1.00 0.00 O ATOM 1288 CB ASN A 78 7.955 -8.121 19.825 1.00 0.00 C ATOM 1289 CG ASN A 78 8.574 -6.893 20.465 1.00 0.00 C ATOM 1290 OD1 ASN A 78 9.200 -6.076 19.789 1.00 0.00 O ATOM 1291 ND2 ASN A 78 8.402 -6.759 21.774 1.00 0.00 N ATOM 0 H ASN A 78 6.443 -6.545 18.684 1.00 0.00 H new ATOM 0 HA ASN A 78 8.869 -7.720 17.921 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.949 -8.265 20.220 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.535 -9.002 20.100 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.796 -5.954 22.260 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.876 -7.461 22.294 1.00 0.00 H new ATOM 1298 N ASP A 79 6.304 -9.474 17.189 1.00 0.00 N ATOM 1299 CA ASP A 79 5.833 -10.715 16.583 1.00 0.00 C ATOM 1300 C ASP A 79 5.994 -10.674 15.067 1.00 0.00 C ATOM 1301 O ASP A 79 6.185 -11.707 14.426 1.00 0.00 O ATOM 1302 CB ASP A 79 4.368 -10.959 16.948 1.00 0.00 C ATOM 1303 CG ASP A 79 4.182 -11.286 18.416 1.00 0.00 C ATOM 1304 OD1 ASP A 79 5.064 -11.959 18.991 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.157 -10.868 18.992 1.00 0.00 O ATOM 0 H ASP A 79 5.621 -8.716 17.184 1.00 0.00 H new ATOM 0 HA ASP A 79 6.438 -11.535 16.971 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.783 -10.074 16.699 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.978 -11.779 16.344 1.00 0.00 H new ATOM 1310 N ARG A 80 5.914 -9.474 14.501 1.00 0.00 N ATOM 1311 CA ARG A 80 6.048 -9.299 13.059 1.00 0.00 C ATOM 1312 C ARG A 80 6.033 -7.819 12.688 1.00 0.00 C ATOM 1313 O ARG A 80 5.516 -6.988 13.434 1.00 0.00 O ATOM 1314 CB ARG A 80 4.922 -10.032 12.329 1.00 0.00 C ATOM 1315 CG ARG A 80 3.587 -9.307 12.384 1.00 0.00 C ATOM 1316 CD ARG A 80 2.462 -10.170 11.834 1.00 0.00 C ATOM 1317 NE ARG A 80 1.147 -9.670 12.227 1.00 0.00 N ATOM 1318 CZ ARG A 80 0.004 -10.239 11.862 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.015 -11.323 11.099 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -1.152 -9.725 12.260 1.00 0.00 N ATOM 0 H ARG A 80 5.757 -8.609 15.018 1.00 0.00 H new ATOM 0 HA ARG A 80 7.005 -9.722 12.753 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.207 -10.172 11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.805 -11.025 12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.364 -9.030 13.414 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.650 -8.381 11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.528 -10.202 10.746 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.582 -11.193 12.190 1.00 0.00 H new ATOM 0 HE ARG A 80 1.104 -8.837 12.815 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.902 -11.721 10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.864 -11.759 10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.164 -8.891 12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.029 -10.163 11.979 1.00 0.00 H new ATOM 1334 N ILE A 81 6.603 -7.500 11.531 1.00 0.00 N ATOM 1335 CA ILE A 81 6.654 -6.121 11.060 1.00 0.00 C ATOM 1336 C ILE A 81 5.771 -5.927 9.833 1.00 0.00 C ATOM 1337 O ILE A 81 5.930 -6.615 8.823 1.00 0.00 O ATOM 1338 CB ILE A 81 8.094 -5.695 10.717 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.029 -5.987 11.892 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.137 -4.219 10.352 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.486 -5.719 11.586 1.00 0.00 C ATOM 0 H ILE A 81 7.036 -8.177 10.903 1.00 0.00 H new ATOM 0 HA ILE A 81 6.284 -5.496 11.873 1.00 0.00 H new ATOM 0 HB ILE A 81 8.433 -6.272 9.856 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.728 -5.379 12.745 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.914 -7.030 12.187 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.161 -3.933 10.112 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.498 -4.039 9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.782 -3.625 11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.090 -5.948 12.464 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.804 -6.346 10.753 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.615 -4.670 11.320 1.00 0.00 H new ATOM 1353 N LYS A 82 4.841 -4.982 9.922 1.00 0.00 N ATOM 1354 CA LYS A 82 3.933 -4.693 8.818 1.00 0.00 C ATOM 1355 C LYS A 82 4.273 -3.354 8.172 1.00 0.00 C ATOM 1356 O LYS A 82 4.376 -2.333 8.852 1.00 0.00 O ATOM 1357 CB LYS A 82 2.484 -4.682 9.311 1.00 0.00 C ATOM 1358 CG LYS A 82 1.472 -5.025 8.231 1.00 0.00 C ATOM 1359 CD LYS A 82 0.049 -4.796 8.710 1.00 0.00 C ATOM 1360 CE LYS A 82 -0.407 -5.902 9.649 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.498 -7.217 8.955 1.00 0.00 N ATOM 0 H LYS A 82 4.696 -4.402 10.749 1.00 0.00 H new ATOM 0 HA LYS A 82 4.048 -5.477 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.383 -5.393 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.253 -3.696 9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.662 -4.417 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.594 -6.067 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.014 -3.835 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.621 -4.746 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.289 -5.980 10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.380 -5.644 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.127 -7.849 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.879 -7.078 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.449 -7.643 8.892 1.00 0.00 H new ATOM 1375 N VAL A 83 4.444 -3.364 6.854 1.00 0.00 N ATOM 1376 CA VAL A 83 4.769 -2.149 6.115 1.00 0.00 C ATOM 1377 C VAL A 83 3.875 -1.997 4.890 1.00 0.00 C ATOM 1378 O VAL A 83 3.776 -2.903 4.063 1.00 0.00 O ATOM 1379 CB VAL A 83 6.242 -2.142 5.667 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.566 -0.858 4.918 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.164 -2.319 6.864 1.00 0.00 C ATOM 0 H VAL A 83 4.363 -4.200 6.276 1.00 0.00 H new ATOM 0 HA VAL A 83 4.600 -1.311 6.791 1.00 0.00 H new ATOM 0 HB VAL A 83 6.402 -2.980 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.611 -0.871 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.928 -0.780 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.391 -0.002 5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.201 -2.312 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.005 -1.503 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.947 -3.269 7.353 1.00 0.00 H new ATOM 1391 N SER A 84 3.224 -0.842 4.779 1.00 0.00 N ATOM 1392 CA SER A 84 2.336 -0.570 3.655 1.00 0.00 C ATOM 1393 C SER A 84 2.805 0.654 2.874 1.00 0.00 C ATOM 1394 O SER A 84 3.139 1.685 3.457 1.00 0.00 O ATOM 1395 CB SER A 84 0.905 -0.354 4.150 1.00 0.00 C ATOM 1396 OG SER A 84 0.195 -1.579 4.206 1.00 0.00 O ATOM 0 H SER A 84 3.295 -0.081 5.454 1.00 0.00 H new ATOM 0 HA SER A 84 2.358 -1.434 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.924 0.105 5.139 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.388 0.340 3.487 1.00 0.00 H new ATOM 0 HG SER A 84 -0.716 -1.415 4.527 1.00 0.00 H new ATOM 1402 N LEU A 85 2.830 0.529 1.552 1.00 0.00 N ATOM 1403 CA LEU A 85 3.259 1.625 0.688 1.00 0.00 C ATOM 1404 C LEU A 85 2.207 1.924 -0.375 1.00 0.00 C ATOM 1405 O LEU A 85 1.351 1.089 -0.668 1.00 0.00 O ATOM 1406 CB LEU A 85 4.593 1.282 0.022 1.00 0.00 C ATOM 1407 CG LEU A 85 5.582 0.483 0.870 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.715 -0.052 0.008 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.130 1.343 2.001 1.00 0.00 C ATOM 0 H LEU A 85 2.559 -0.319 1.054 1.00 0.00 H new ATOM 0 HA LEU A 85 3.387 2.514 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.387 0.718 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.074 2.212 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 85 5.054 -0.365 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.409 -0.618 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.307 -0.702 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.242 0.781 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.833 0.758 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.641 2.210 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.309 1.677 2.635 1.00 0.00 H new ATOM 1421 N SER A 86 2.279 3.120 -0.951 1.00 0.00 N ATOM 1422 CA SER A 86 1.332 3.530 -1.981 1.00 0.00 C ATOM 1423 C SER A 86 2.060 4.121 -3.184 1.00 0.00 C ATOM 1424 O SER A 86 3.129 4.716 -3.045 1.00 0.00 O ATOM 1425 CB SER A 86 0.343 4.553 -1.416 1.00 0.00 C ATOM 1426 OG SER A 86 1.021 5.603 -0.748 1.00 0.00 O ATOM 0 H SER A 86 2.983 3.822 -0.722 1.00 0.00 H new ATOM 0 HA SER A 86 0.784 2.647 -2.308 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.262 4.963 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.340 4.060 -0.725 1.00 0.00 H new ATOM 0 HG SER A 86 1.898 5.286 -0.447 1.00 0.00 H new ATOM 1432 N MET A 87 1.474 3.954 -4.364 1.00 0.00 N ATOM 1433 CA MET A 87 2.065 4.471 -5.592 1.00 0.00 C ATOM 1434 C MET A 87 1.094 5.399 -6.315 1.00 0.00 C ATOM 1435 O MET A 87 1.484 6.147 -7.211 1.00 0.00 O ATOM 1436 CB MET A 87 2.470 3.319 -6.513 1.00 0.00 C ATOM 1437 CG MET A 87 3.500 2.384 -5.901 1.00 0.00 C ATOM 1438 SD MET A 87 3.651 0.830 -6.804 1.00 0.00 S ATOM 1439 CE MET A 87 3.826 1.429 -8.482 1.00 0.00 C ATOM 0 H MET A 87 0.589 3.464 -4.496 1.00 0.00 H new ATOM 0 HA MET A 87 2.954 5.042 -5.325 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.581 2.745 -6.776 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.870 3.730 -7.440 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.469 2.882 -5.878 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.225 2.174 -4.867 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.192 0.624 -9.119 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.858 1.771 -8.849 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.535 2.257 -8.501 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.174 5.345 -5.920 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.202 6.181 -6.529 1.00 0.00 C ATOM 1451 C LYS A 88 -1.038 7.638 -6.108 1.00 0.00 C ATOM 1452 O LYS A 88 -1.573 8.543 -6.748 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.593 5.679 -6.138 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.837 5.666 -4.638 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.176 5.037 -4.296 1.00 0.00 C ATOM 1456 CE LYS A 88 -5.295 6.068 -4.305 1.00 0.00 C ATOM 1457 NZ LYS A 88 -5.862 6.259 -5.668 1.00 0.00 N ATOM 0 H LYS A 88 -0.514 4.731 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.091 6.120 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.344 6.309 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.729 4.670 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.038 5.114 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.805 6.686 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.402 4.247 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.119 4.569 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.085 5.752 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.915 7.020 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.845 6.591 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.297 6.964 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.841 5.356 -6.183 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.294 7.857 -5.029 1.00 0.00 N ATOM 1472 CA VAL A 89 -0.058 9.205 -4.524 1.00 0.00 C ATOM 1473 C VAL A 89 1.335 9.696 -4.901 1.00 0.00 C ATOM 1474 O VAL A 89 1.747 10.790 -4.510 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.215 9.267 -2.993 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.654 8.979 -2.592 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.739 8.292 -2.319 1.00 0.00 C ATOM 0 H VAL A 89 0.156 7.119 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.806 9.851 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 89 0.036 10.274 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.746 9.027 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.313 9.719 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.935 7.984 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.614 8.350 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.522 7.278 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.766 8.549 -2.580 1.00 0.00 H new ATOM 1487 N VAL A 90 2.058 8.883 -5.663 1.00 0.00 N ATOM 1488 CA VAL A 90 3.405 9.235 -6.096 1.00 0.00 C ATOM 1489 C VAL A 90 3.574 9.023 -7.596 1.00 0.00 C ATOM 1490 O VAL A 90 3.253 7.959 -8.123 1.00 0.00 O ATOM 1491 CB VAL A 90 4.468 8.407 -5.349 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.866 8.807 -5.795 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.312 8.574 -3.844 1.00 0.00 C ATOM 0 H VAL A 90 1.733 7.974 -5.994 1.00 0.00 H new ATOM 0 HA VAL A 90 3.546 10.290 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 90 4.322 7.355 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.604 8.212 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.970 8.632 -6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.027 9.864 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.071 7.982 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.432 9.625 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.322 8.235 -3.541 1.00 0.00 H new ATOM 1503 N ASN A 91 4.082 10.044 -8.279 1.00 0.00 N ATOM 1504 CA ASN A 91 4.293 9.970 -9.720 1.00 0.00 C ATOM 1505 C ASN A 91 5.337 8.911 -10.062 1.00 0.00 C ATOM 1506 O ASN A 91 6.100 8.477 -9.200 1.00 0.00 O ATOM 1507 CB ASN A 91 4.735 11.331 -10.262 1.00 0.00 C ATOM 1508 CG ASN A 91 4.393 11.508 -11.728 1.00 0.00 C ATOM 1509 OD1 ASN A 91 4.935 10.815 -12.590 1.00 0.00 O ATOM 1510 ND2 ASN A 91 3.493 12.439 -12.018 1.00 0.00 N ATOM 0 H ASN A 91 4.355 10.932 -7.858 1.00 0.00 H new ATOM 0 HA ASN A 91 3.349 9.689 -10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.259 12.122 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.811 11.441 -10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.224 12.604 -12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.070 12.990 -11.271 1.00 0.00 H new ATOM 1517 N GLN A 92 5.364 8.501 -11.326 1.00 0.00 N ATOM 1518 CA GLN A 92 6.314 7.494 -11.782 1.00 0.00 C ATOM 1519 C GLN A 92 7.337 8.102 -12.736 1.00 0.00 C ATOM 1520 O GLN A 92 8.476 7.645 -12.813 1.00 0.00 O ATOM 1521 CB GLN A 92 5.577 6.344 -12.471 1.00 0.00 C ATOM 1522 CG GLN A 92 4.471 5.735 -11.623 1.00 0.00 C ATOM 1523 CD GLN A 92 4.932 5.394 -10.220 1.00 0.00 C ATOM 1524 OE1 GLN A 92 5.976 4.770 -10.031 1.00 0.00 O ATOM 1525 NE2 GLN A 92 4.154 5.804 -9.225 1.00 0.00 N ATOM 0 H GLN A 92 4.739 8.851 -12.052 1.00 0.00 H new ATOM 0 HA GLN A 92 6.843 7.108 -10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.149 6.706 -13.406 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.295 5.566 -12.729 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.635 6.433 -11.567 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.101 4.832 -12.109 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.297 6.319 -9.427 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.414 5.604 -8.259 1.00 0.00 H new ATOM 1534 N GLY A 93 6.920 9.135 -13.462 1.00 0.00 N ATOM 1535 CA GLY A 93 7.812 9.789 -14.402 1.00 0.00 C ATOM 1536 C GLY A 93 8.957 10.505 -13.713 1.00 0.00 C ATOM 1537 O GLY A 93 10.036 10.661 -14.284 1.00 0.00 O ATOM 0 H GLY A 93 5.981 9.530 -13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.214 9.048 -15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.246 10.505 -14.998 1.00 0.00 H new ATOM 1541 N THR A 94 8.721 10.945 -12.480 1.00 0.00 N ATOM 1542 CA THR A 94 9.739 11.652 -11.714 1.00 0.00 C ATOM 1543 C THR A 94 9.809 11.132 -10.283 1.00 0.00 C ATOM 1544 O THR A 94 10.892 10.985 -9.718 1.00 0.00 O ATOM 1545 CB THR A 94 9.468 13.168 -11.684 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.490 13.472 -10.682 1.00 0.00 O ATOM 1547 CG2 THR A 94 8.982 13.658 -13.039 1.00 0.00 C ATOM 0 H THR A 94 7.834 10.824 -11.992 1.00 0.00 H new ATOM 0 HA THR A 94 10.692 11.471 -12.211 1.00 0.00 H new ATOM 0 HB THR A 94 10.402 13.677 -11.445 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.325 14.438 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.797 14.731 -12.993 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.741 13.452 -13.794 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.059 13.142 -13.303 1.00 0.00 H new ATOM 1555 N GLY A 95 8.647 10.853 -9.701 1.00 0.00 N ATOM 1556 CA GLY A 95 8.599 10.351 -8.340 1.00 0.00 C ATOM 1557 C GLY A 95 8.224 11.425 -7.339 1.00 0.00 C ATOM 1558 O GLY A 95 8.456 11.275 -6.138 1.00 0.00 O ATOM 0 H GLY A 95 7.737 10.966 -10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.877 9.536 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.571 9.935 -8.075 1.00 0.00 H new ATOM 1562 N LYS A 96 7.644 12.514 -7.831 1.00 0.00 N ATOM 1563 CA LYS A 96 7.236 13.620 -6.972 1.00 0.00 C ATOM 1564 C LYS A 96 5.893 13.327 -6.311 1.00 0.00 C ATOM 1565 O LYS A 96 5.022 12.693 -6.906 1.00 0.00 O ATOM 1566 CB LYS A 96 7.146 14.915 -7.781 1.00 0.00 C ATOM 1567 CG LYS A 96 7.215 16.170 -6.929 1.00 0.00 C ATOM 1568 CD LYS A 96 7.524 17.399 -7.768 1.00 0.00 C ATOM 1569 CE LYS A 96 9.023 17.603 -7.923 1.00 0.00 C ATOM 1570 NZ LYS A 96 9.621 18.253 -6.723 1.00 0.00 N ATOM 0 H LYS A 96 7.445 12.655 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 96 7.988 13.738 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.957 14.936 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.212 14.918 -8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.266 16.311 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.981 16.049 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.066 17.294 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.082 18.280 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.505 16.640 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.217 18.216 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.644 18.375 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.179 19.183 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.458 17.656 -5.887 1.00 0.00 H new ATOM 1584 N ASP A 97 5.731 13.792 -5.077 1.00 0.00 N ATOM 1585 CA ASP A 97 4.494 13.583 -4.336 1.00 0.00 C ATOM 1586 C ASP A 97 3.302 14.160 -5.094 1.00 0.00 C ATOM 1587 O ASP A 97 3.380 15.253 -5.655 1.00 0.00 O ATOM 1588 CB ASP A 97 4.589 14.221 -2.949 1.00 0.00 C ATOM 1589 CG ASP A 97 3.606 13.618 -1.965 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.735 12.838 -2.400 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.710 13.927 -0.760 1.00 0.00 O ATOM 0 H ASP A 97 6.443 14.317 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 97 4.345 12.509 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.602 14.101 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.405 15.292 -3.032 1.00 0.00 H new ATOM 1596 N LEU A 98 2.200 13.417 -5.107 1.00 0.00 N ATOM 1597 CA LEU A 98 0.991 13.854 -5.798 1.00 0.00 C ATOM 1598 C LEU A 98 -0.121 14.167 -4.803 1.00 0.00 C ATOM 1599 O LEU A 98 -1.031 14.942 -5.097 1.00 0.00 O ATOM 1600 CB LEU A 98 0.526 12.780 -6.781 1.00 0.00 C ATOM 1601 CG LEU A 98 1.566 12.300 -7.794 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.020 11.137 -8.610 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.988 13.442 -8.706 1.00 0.00 C ATOM 0 H LEU A 98 2.119 12.510 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 98 1.225 14.764 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.180 11.918 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.334 13.165 -7.329 1.00 0.00 H new ATOM 0 HG LEU A 98 2.444 11.954 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.774 10.809 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.768 10.312 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.126 11.456 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.728 13.082 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.118 13.819 -9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.420 14.244 -8.108 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.041 13.560 -3.624 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.040 13.775 -2.583 1.00 0.00 C ATOM 1617 C ASP A 99 -0.373 14.033 -1.235 1.00 0.00 C ATOM 1618 O ASP A 99 -0.248 13.141 -0.396 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.971 12.567 -2.482 1.00 0.00 C ATOM 1620 CG ASP A 99 -2.641 12.463 -1.126 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -3.264 13.455 -0.694 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -2.542 11.388 -0.497 1.00 0.00 O ATOM 0 H ASP A 99 0.705 12.915 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.626 14.654 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.735 12.635 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.402 11.657 -2.674 1.00 0.00 H new ATOM 1627 N PRO A 100 0.067 15.282 -1.022 1.00 0.00 N ATOM 1628 CA PRO A 100 0.730 15.686 0.222 1.00 0.00 C ATOM 1629 C PRO A 100 -0.231 15.717 1.407 1.00 0.00 C ATOM 1630 O PRO A 100 0.172 15.986 2.537 1.00 0.00 O ATOM 1631 CB PRO A 100 1.240 17.094 -0.089 1.00 0.00 C ATOM 1632 CG PRO A 100 0.334 17.598 -1.159 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.048 16.396 -1.978 1.00 0.00 C ATOM 0 HA PRO A 100 1.516 14.988 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.203 17.732 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.277 17.074 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.548 18.075 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.834 18.346 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.060 16.484 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.617 16.263 -2.832 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.503 15.438 1.139 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.521 15.435 2.183 1.00 0.00 C ATOM 1643 C ASN A 101 -2.487 14.128 2.971 1.00 0.00 C ATOM 1644 O ASN A 101 -2.813 14.099 4.157 1.00 0.00 O ATOM 1645 CB ASN A 101 -3.908 15.639 1.572 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.859 16.345 2.519 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -5.991 15.907 2.723 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -4.401 17.447 3.102 1.00 0.00 N ATOM 0 H ASN A 101 -1.853 15.211 0.208 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.308 16.257 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.816 16.220 0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.326 14.671 1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.995 17.967 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.455 17.774 2.903 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.090 13.051 2.302 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.013 11.741 2.940 1.00 0.00 C ATOM 1657 C ASN A 102 -3.295 11.435 3.709 1.00 0.00 C ATOM 1658 O ASN A 102 -3.254 10.883 4.809 1.00 0.00 O ATOM 1659 CB ASN A 102 -0.811 11.680 3.884 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.524 13.016 4.542 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.237 13.862 3.856 1.00 0.00 O flip ATOM 1662 ND2 ASN A 102 -0.981 13.285 5.654 1.00 0.00 N flip ATOM 0 H ASN A 102 -1.817 13.059 1.319 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.891 10.990 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.995 10.931 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.068 11.356 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -1.561 12.605 6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.779 14.188 6.083 1.00 0.00 H new ATOM 1669 N VAL A 103 -4.431 11.795 3.122 1.00 0.00 N ATOM 1670 CA VAL A 103 -5.726 11.557 3.750 1.00 0.00 C ATOM 1671 C VAL A 103 -6.495 10.460 3.025 1.00 0.00 C ATOM 1672 O VAL A 103 -7.222 9.683 3.645 1.00 0.00 O ATOM 1673 CB VAL A 103 -6.580 12.838 3.775 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -7.925 12.570 4.434 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -5.841 13.958 4.492 1.00 0.00 C ATOM 0 H VAL A 103 -4.482 12.253 2.212 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.528 11.241 4.774 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.761 13.153 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.515 13.487 4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.458 11.801 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.767 12.230 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.460 14.855 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.628 13.655 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.905 14.167 3.973 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.331 10.401 1.707 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.009 9.397 0.898 1.00 0.00 C ATOM 1687 C ILE A 104 -6.742 7.992 1.426 1.00 0.00 C ATOM 1688 O ILE A 104 -7.649 7.162 1.497 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.569 9.471 -0.577 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -6.863 10.858 -1.150 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.269 8.395 -1.393 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -5.729 11.842 -0.963 1.00 0.00 C ATOM 0 H ILE A 104 -5.734 11.037 1.178 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.076 9.609 0.962 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.494 9.297 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.080 10.764 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.760 11.256 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.948 8.460 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -7.014 7.413 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.348 8.540 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.007 12.804 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.526 11.965 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.835 11.466 -1.462 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.493 7.733 1.798 1.00 0.00 N ATOM 1705 CA ILE A 105 -5.108 6.429 2.324 1.00 0.00 C ATOM 1706 C ILE A 105 -6.012 6.012 3.478 1.00 0.00 C ATOM 1707 O ILE A 105 -6.175 4.824 3.754 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.644 6.427 2.806 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.477 7.370 3.998 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.712 6.827 1.672 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.699 6.698 5.336 1.00 0.00 C ATOM 0 H ILE A 105 -4.731 8.409 1.745 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.215 5.715 1.507 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.383 5.418 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.474 7.796 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.177 8.199 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.682 6.821 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.816 6.120 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.970 7.828 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.564 7.426 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.711 6.296 5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.981 5.887 5.459 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.601 6.998 4.147 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.490 6.732 5.271 1.00 0.00 C ATOM 1725 C GLU A 106 -8.855 6.253 4.784 1.00 0.00 C ATOM 1726 O GLU A 106 -9.743 7.059 4.502 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.656 7.989 6.128 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.639 7.820 7.274 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.975 7.330 8.546 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -7.121 8.061 9.090 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.310 6.214 8.997 1.00 0.00 O ATOM 0 H GLU A 106 -6.479 7.987 3.930 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.042 5.944 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.685 8.273 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.989 8.810 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.131 8.773 7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.416 7.115 6.980 1.00 0.00 H new