USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=18 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= -0.251 X(o=-0.25,f=-0.72) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 157:sc= 0.057 (180deg=-0.336) USER MOD Set 2.2: A 102 ASN : amide:sc= -0.308 X(o=-0.25,f=-0.18) USER MOD Set 3.1: A 50 SER OG : rot -111:sc= 0.13 USER MOD Set 3.2: A 52 CYS SG : rot 180:sc= 0.124 USER MOD Set 4.1: A 45 HIS : no HD1:sc= 0.498 K(o=-0.91,f=-4.1) USER MOD Set 4.2: A 47 THR OG1 : rot -92:sc= 0.659 USER MOD Set 4.3: A 48 HIS : no HD1:sc= -1.45 K(o=-0.91,f=-9.2!) USER MOD Set 4.4: A 86 SER OG : rot -100:sc= -0.62 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -110:sc= -1.08 USER MOD Single : A 20 GLN : amide:sc= -6.31! C(o=-6.3!,f=-5.9!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 143:sc= 0.55 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= -1.17 (180deg=-3.31!) USER MOD Single : A 38 CYS SG : rot 128:sc= -0.39 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.78 K(o=-1.8,f=-7.1!) USER MOD Single : A 49 MET CE :methyl 158:sc= -0.999 (180deg=-1.24) USER MOD Single : A 51 SER OG : rot 180:sc= -0.431 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 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 158:sc= -1.67 (180deg=-3.61!) USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= -0.0968 (180deg=-0.954) USER MOD Single : A 91 ASN : amide:sc= 0.588 K(o=0.59,f=-6.3!) USER MOD Single : A 92 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.3!) USER MOD Single : A 94 THR OG1 : rot -160:sc= -0.0156 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.317 1.504 7.990 1.00 0.00 N ATOM 229 CA LEU A 12 13.215 1.921 7.128 1.00 0.00 C ATOM 230 C LEU A 12 13.060 3.438 7.140 1.00 0.00 C ATOM 231 O LEU A 12 13.448 4.120 8.089 1.00 0.00 O ATOM 232 CB LEU A 12 11.911 1.260 7.580 1.00 0.00 C ATOM 233 CG LEU A 12 11.781 -0.235 7.289 1.00 0.00 C ATOM 234 CD1 LEU A 12 10.712 -0.859 8.173 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.462 -0.466 5.820 1.00 0.00 C ATOM 0 HA LEU A 12 13.442 1.605 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.803 1.411 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.080 1.777 7.100 1.00 0.00 H new ATOM 0 HG LEU A 12 12.734 -0.714 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.633 -1.923 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.982 -0.725 9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.754 -0.377 7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.373 -1.536 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.522 0.026 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.262 -0.054 5.205 1.00 0.00 H new ATOM 247 N PRO A 13 12.477 3.982 6.061 1.00 0.00 N ATOM 248 CA PRO A 13 12.254 5.424 5.923 1.00 0.00 C ATOM 249 C PRO A 13 11.186 5.940 6.881 1.00 0.00 C ATOM 250 O PRO A 13 10.481 5.158 7.519 1.00 0.00 O ATOM 251 CB PRO A 13 11.789 5.574 4.472 1.00 0.00 C ATOM 252 CG PRO A 13 11.197 4.251 4.126 1.00 0.00 C ATOM 253 CD PRO A 13 11.989 3.229 4.892 1.00 0.00 C ATOM 0 HA PRO A 13 13.149 5.999 6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.056 6.374 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.621 5.820 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.142 4.212 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.255 4.066 3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.371 2.382 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.812 2.831 4.298 1.00 0.00 H new ATOM 261 N ALA A 14 11.072 7.260 6.977 1.00 0.00 N ATOM 262 CA ALA A 14 10.087 7.880 7.857 1.00 0.00 C ATOM 263 C ALA A 14 8.683 7.767 7.273 1.00 0.00 C ATOM 264 O ALA A 14 8.507 7.357 6.126 1.00 0.00 O ATOM 265 CB ALA A 14 10.444 9.338 8.102 1.00 0.00 C ATOM 0 H ALA A 14 11.649 7.921 6.457 1.00 0.00 H new ATOM 0 HA ALA A 14 10.100 7.350 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.701 9.789 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.427 9.398 8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.460 9.873 7.153 1.00 0.00 H new ATOM 271 N LEU A 15 7.686 8.131 8.071 1.00 0.00 N ATOM 272 CA LEU A 15 6.295 8.070 7.634 1.00 0.00 C ATOM 273 C LEU A 15 6.029 9.077 6.521 1.00 0.00 C ATOM 274 O LEU A 15 6.532 10.201 6.553 1.00 0.00 O ATOM 275 CB LEU A 15 5.358 8.337 8.814 1.00 0.00 C ATOM 276 CG LEU A 15 3.878 8.029 8.577 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.693 6.574 8.173 1.00 0.00 C ATOM 278 CD2 LEU A 15 3.062 8.346 9.822 1.00 0.00 C ATOM 0 H LEU A 15 7.814 8.471 9.024 1.00 0.00 H new ATOM 0 HA LEU A 15 6.105 7.069 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.700 7.747 9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.450 9.386 9.096 1.00 0.00 H new ATOM 0 HG LEU A 15 3.521 8.659 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.634 6.374 8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.246 6.378 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.066 5.926 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.012 8.121 9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.420 7.742 10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.169 9.403 10.068 1.00 0.00 H new ATOM 290 N TYR A 16 5.235 8.668 5.538 1.00 0.00 N ATOM 291 CA TYR A 16 4.902 9.536 4.413 1.00 0.00 C ATOM 292 C TYR A 16 6.158 9.941 3.647 1.00 0.00 C ATOM 293 O TYR A 16 6.206 11.003 3.026 1.00 0.00 O ATOM 294 CB TYR A 16 4.166 10.782 4.905 1.00 0.00 C ATOM 295 CG TYR A 16 2.884 10.476 5.647 1.00 0.00 C ATOM 296 CD1 TYR A 16 2.086 9.400 5.279 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.473 11.263 6.715 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.915 9.116 5.955 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.304 10.986 7.397 1.00 0.00 C ATOM 300 CZ TYR A 16 0.528 9.912 7.013 1.00 0.00 C ATOM 301 OH TYR A 16 -0.638 9.633 7.688 1.00 0.00 O ATOM 0 H TYR A 16 4.810 7.742 5.497 1.00 0.00 H new ATOM 0 HA TYR A 16 4.251 8.981 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.828 11.350 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.938 11.420 4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.386 8.775 4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.077 12.105 7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.306 8.275 5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.999 11.607 8.226 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.765 10.288 8.406 1.00 0.00 H new ATOM 311 N THR A 17 7.175 9.086 3.697 1.00 0.00 N ATOM 312 CA THR A 17 8.433 9.355 3.010 1.00 0.00 C ATOM 313 C THR A 17 8.408 8.808 1.587 1.00 0.00 C ATOM 314 O THR A 17 7.877 7.727 1.336 1.00 0.00 O ATOM 315 CB THR A 17 9.627 8.739 3.764 1.00 0.00 C ATOM 316 OG1 THR A 17 9.802 9.396 5.023 1.00 0.00 O ATOM 317 CG2 THR A 17 10.903 8.855 2.943 1.00 0.00 C ATOM 0 H THR A 17 7.152 8.202 4.206 1.00 0.00 H new ATOM 0 HA THR A 17 8.552 10.438 2.979 1.00 0.00 H new ATOM 0 HB THR A 17 9.417 7.683 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.622 9.932 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.732 8.413 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.776 8.329 1.997 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.116 9.906 2.748 1.00 0.00 H new ATOM 325 N ILE A 18 8.988 9.562 0.659 1.00 0.00 N ATOM 326 CA ILE A 18 9.034 9.151 -0.739 1.00 0.00 C ATOM 327 C ILE A 18 10.416 8.629 -1.113 1.00 0.00 C ATOM 328 O ILE A 18 11.431 9.263 -0.825 1.00 0.00 O ATOM 329 CB ILE A 18 8.666 10.314 -1.679 1.00 0.00 C ATOM 330 CG1 ILE A 18 7.183 10.665 -1.536 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.993 9.953 -3.121 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.773 11.887 -2.327 1.00 0.00 C ATOM 0 H ILE A 18 9.432 10.460 0.850 1.00 0.00 H new ATOM 0 HA ILE A 18 8.302 8.352 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 18 9.256 11.187 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.584 9.814 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.957 10.831 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.727 10.785 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.060 9.747 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.427 9.068 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.710 12.077 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.346 12.750 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.967 11.717 -3.386 1.00 0.00 H new ATOM 344 N PHE A 19 10.448 7.467 -1.758 1.00 0.00 N ATOM 345 CA PHE A 19 11.707 6.858 -2.172 1.00 0.00 C ATOM 346 C PHE A 19 11.513 6.011 -3.428 1.00 0.00 C ATOM 347 O PHE A 19 10.386 5.769 -3.857 1.00 0.00 O ATOM 348 CB PHE A 19 12.277 5.995 -1.045 1.00 0.00 C ATOM 349 CG PHE A 19 11.300 4.988 -0.508 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.963 3.868 -1.249 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.720 5.163 0.738 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.064 2.939 -0.758 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.822 4.237 1.234 1.00 0.00 C ATOM 354 CZ PHE A 19 9.492 3.124 0.485 1.00 0.00 C ATOM 0 H PHE A 19 9.617 6.929 -2.005 1.00 0.00 H new ATOM 0 HA PHE A 19 12.412 7.658 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.161 5.473 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.603 6.643 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.407 3.718 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.972 6.032 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.810 2.070 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.378 4.383 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.789 2.401 0.871 1.00 0.00 H new ATOM 364 N GLN A 20 12.622 5.565 -4.010 1.00 0.00 N ATOM 365 CA GLN A 20 12.575 4.746 -5.216 1.00 0.00 C ATOM 366 C GLN A 20 12.972 3.307 -4.912 1.00 0.00 C ATOM 367 O GLN A 20 14.060 3.046 -4.401 1.00 0.00 O ATOM 368 CB GLN A 20 13.498 5.328 -6.288 1.00 0.00 C ATOM 369 CG GLN A 20 13.028 5.056 -7.708 1.00 0.00 C ATOM 370 CD GLN A 20 13.776 5.879 -8.738 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.915 6.289 -8.513 1.00 0.00 O ATOM 372 NE2 GLN A 20 13.140 6.123 -9.877 1.00 0.00 N ATOM 0 H GLN A 20 13.563 5.757 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 20 11.551 4.749 -5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.578 6.405 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.498 4.913 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.156 3.997 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.962 5.271 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.196 5.764 -10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.595 6.670 -10.608 1.00 0.00 H new ATOM 381 N GLY A 21 12.080 2.372 -5.230 1.00 0.00 N ATOM 382 CA GLY A 21 12.356 0.969 -4.983 1.00 0.00 C ATOM 383 C GLY A 21 12.016 0.093 -6.173 1.00 0.00 C ATOM 384 O GLY A 21 11.296 0.516 -7.076 1.00 0.00 O ATOM 0 H GLY A 21 11.172 2.562 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.411 0.847 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.785 0.637 -4.116 1.00 0.00 H new ATOM 388 N GLU A 22 12.537 -1.130 -6.173 1.00 0.00 N ATOM 389 CA GLU A 22 12.285 -2.066 -7.263 1.00 0.00 C ATOM 390 C GLU A 22 11.350 -3.185 -6.814 1.00 0.00 C ATOM 391 O GLU A 22 11.363 -3.592 -5.652 1.00 0.00 O ATOM 392 CB GLU A 22 13.602 -2.660 -7.768 1.00 0.00 C ATOM 393 CG GLU A 22 13.417 -3.816 -8.735 1.00 0.00 C ATOM 394 CD GLU A 22 14.719 -4.523 -9.057 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.528 -3.957 -9.822 1.00 0.00 O ATOM 396 OE2 GLU A 22 14.929 -5.641 -8.543 1.00 0.00 O ATOM 0 H GLU A 22 13.135 -1.495 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 22 11.805 -1.519 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.180 -1.876 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.188 -3.002 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.715 -4.532 -8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.972 -3.445 -9.658 1.00 0.00 H new ATOM 403 N VAL A 23 10.538 -3.679 -7.743 1.00 0.00 N ATOM 404 CA VAL A 23 9.597 -4.751 -7.445 1.00 0.00 C ATOM 405 C VAL A 23 10.314 -6.087 -7.295 1.00 0.00 C ATOM 406 O VAL A 23 11.076 -6.497 -8.171 1.00 0.00 O ATOM 407 CB VAL A 23 8.524 -4.877 -8.544 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.782 -6.200 -8.417 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.555 -3.706 -8.480 1.00 0.00 C ATOM 0 H VAL A 23 10.513 -3.353 -8.709 1.00 0.00 H new ATOM 0 HA VAL A 23 9.114 -4.494 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 23 9.020 -4.857 -9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.028 -6.271 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.488 -7.024 -8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.297 -6.253 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.804 -3.812 -9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.064 -3.692 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.101 -2.774 -8.624 1.00 0.00 H new ATOM 419 N ALA A 24 10.066 -6.763 -6.179 1.00 0.00 N ATOM 420 CA ALA A 24 10.687 -8.056 -5.914 1.00 0.00 C ATOM 421 C ALA A 24 9.667 -9.185 -6.010 1.00 0.00 C ATOM 422 O ALA A 24 10.021 -10.333 -6.278 1.00 0.00 O ATOM 423 CB ALA A 24 11.347 -8.053 -4.543 1.00 0.00 C ATOM 0 H ALA A 24 9.439 -6.437 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 24 11.451 -8.227 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.806 -9.024 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.112 -7.277 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.596 -7.856 -3.778 1.00 0.00 H new ATOM 429 N MET A 25 8.400 -8.851 -5.789 1.00 0.00 N ATOM 430 CA MET A 25 7.328 -9.838 -5.852 1.00 0.00 C ATOM 431 C MET A 25 6.041 -9.211 -6.375 1.00 0.00 C ATOM 432 O MET A 25 5.705 -8.078 -6.029 1.00 0.00 O ATOM 433 CB MET A 25 7.087 -10.449 -4.470 1.00 0.00 C ATOM 434 CG MET A 25 6.218 -11.696 -4.500 1.00 0.00 C ATOM 435 SD MET A 25 6.586 -12.833 -3.150 1.00 0.00 S ATOM 436 CE MET A 25 5.015 -13.676 -2.978 1.00 0.00 C ATOM 0 H MET A 25 8.090 -7.905 -5.565 1.00 0.00 H new ATOM 0 HA MET A 25 7.633 -10.625 -6.541 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.048 -10.696 -4.019 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.616 -9.703 -3.829 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.169 -11.404 -4.448 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.359 -12.210 -5.451 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.084 -14.414 -2.179 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.238 -12.951 -2.737 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.767 -14.177 -3.914 1.00 0.00 H new ATOM 446 N VAL A 26 5.321 -9.954 -7.211 1.00 0.00 N ATOM 447 CA VAL A 26 4.070 -9.470 -7.780 1.00 0.00 C ATOM 448 C VAL A 26 2.913 -10.402 -7.438 1.00 0.00 C ATOM 449 O VAL A 26 2.962 -11.601 -7.717 1.00 0.00 O ATOM 450 CB VAL A 26 4.166 -9.331 -9.311 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.858 -8.809 -9.884 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.324 -8.421 -9.691 1.00 0.00 C ATOM 0 H VAL A 26 5.584 -10.894 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 26 3.884 -8.489 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 26 4.353 -10.317 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.946 -8.718 -10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.053 -9.503 -9.642 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.637 -7.832 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.377 -8.334 -10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.169 -7.434 -9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.256 -8.842 -9.315 1.00 0.00 H new ATOM 462 N THR A 27 1.870 -9.844 -6.829 1.00 0.00 N ATOM 463 CA THR A 27 0.700 -10.624 -6.447 1.00 0.00 C ATOM 464 C THR A 27 -0.577 -10.011 -7.008 1.00 0.00 C ATOM 465 O THR A 27 -0.604 -8.836 -7.376 1.00 0.00 O ATOM 466 CB THR A 27 0.574 -10.735 -4.916 1.00 0.00 C ATOM 467 OG1 THR A 27 0.242 -9.459 -4.359 1.00 0.00 O ATOM 468 CG2 THR A 27 1.871 -11.242 -4.301 1.00 0.00 C ATOM 0 H THR A 27 1.813 -8.854 -6.590 1.00 0.00 H new ATOM 0 HA THR A 27 0.835 -11.621 -6.866 1.00 0.00 H new ATOM 0 HB THR A 27 -0.219 -11.447 -4.689 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.383 -9.580 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.758 -11.312 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.105 -12.227 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.680 -10.551 -4.537 1.00 0.00 H new ATOM 476 N ASP A 28 -1.636 -10.812 -7.070 1.00 0.00 N ATOM 477 CA ASP A 28 -2.917 -10.347 -7.585 1.00 0.00 C ATOM 478 C ASP A 28 -3.594 -9.410 -6.590 1.00 0.00 C ATOM 479 O ASP A 28 -4.709 -8.942 -6.822 1.00 0.00 O ATOM 480 CB ASP A 28 -3.831 -11.535 -7.888 1.00 0.00 C ATOM 481 CG ASP A 28 -3.460 -12.237 -9.180 1.00 0.00 C ATOM 482 OD1 ASP A 28 -2.254 -12.294 -9.498 1.00 0.00 O ATOM 483 OD2 ASP A 28 -4.376 -12.729 -9.871 1.00 0.00 O ATOM 0 H ASP A 28 -1.631 -11.787 -6.770 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.732 -9.797 -8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.782 -12.247 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.863 -11.189 -7.949 1.00 0.00 H new ATOM 488 N TYR A 29 -2.914 -9.140 -5.481 1.00 0.00 N ATOM 489 CA TYR A 29 -3.451 -8.262 -4.449 1.00 0.00 C ATOM 490 C TYR A 29 -2.465 -7.146 -4.116 1.00 0.00 C ATOM 491 O TYR A 29 -2.661 -6.393 -3.163 1.00 0.00 O ATOM 492 CB TYR A 29 -3.776 -9.063 -3.187 1.00 0.00 C ATOM 493 CG TYR A 29 -2.628 -9.916 -2.698 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.473 -9.335 -2.187 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.697 -11.303 -2.746 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.421 -10.111 -1.740 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.651 -12.087 -2.300 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.515 -11.486 -1.798 1.00 0.00 C ATOM 499 OH TYR A 29 0.531 -12.263 -1.354 1.00 0.00 O ATOM 0 H TYR A 29 -1.989 -9.517 -5.274 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.367 -7.811 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.068 -8.374 -2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.635 -9.704 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.397 -8.259 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.584 -11.777 -3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.470 -9.644 -1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.722 -13.164 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 29 0.304 -13.210 -1.463 1.00 0.00 H new ATOM 509 N GLY A 30 -1.405 -7.045 -4.912 1.00 0.00 N ATOM 510 CA GLY A 30 -0.404 -6.019 -4.688 1.00 0.00 C ATOM 511 C GLY A 30 0.976 -6.443 -5.149 1.00 0.00 C ATOM 512 O GLY A 30 1.125 -7.458 -5.829 1.00 0.00 O ATOM 0 H GLY A 30 -1.222 -7.656 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.696 -5.110 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.370 -5.775 -3.626 1.00 0.00 H new ATOM 516 N ALA A 31 1.988 -5.664 -4.781 1.00 0.00 N ATOM 517 CA ALA A 31 3.362 -5.966 -5.161 1.00 0.00 C ATOM 518 C ALA A 31 4.341 -5.515 -4.083 1.00 0.00 C ATOM 519 O ALA A 31 4.125 -4.502 -3.418 1.00 0.00 O ATOM 520 CB ALA A 31 3.697 -5.306 -6.491 1.00 0.00 C ATOM 0 H ALA A 31 1.882 -4.819 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 31 3.455 -7.047 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.726 -5.539 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.024 -5.680 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.581 -4.226 -6.401 1.00 0.00 H new ATOM 526 N PHE A 32 5.418 -6.274 -3.914 1.00 0.00 N ATOM 527 CA PHE A 32 6.431 -5.954 -2.915 1.00 0.00 C ATOM 528 C PHE A 32 7.550 -5.115 -3.524 1.00 0.00 C ATOM 529 O PHE A 32 8.026 -5.400 -4.622 1.00 0.00 O ATOM 530 CB PHE A 32 7.010 -7.238 -2.315 1.00 0.00 C ATOM 531 CG PHE A 32 6.040 -7.981 -1.441 1.00 0.00 C ATOM 532 CD1 PHE A 32 4.934 -8.609 -1.989 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.236 -8.050 -0.071 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.040 -9.294 -1.187 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.346 -8.734 0.736 1.00 0.00 C ATOM 536 CZ PHE A 32 4.245 -9.356 0.177 1.00 0.00 C ATOM 0 H PHE A 32 5.612 -7.116 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 32 5.955 -5.374 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.334 -7.893 -3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.896 -6.989 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.768 -8.563 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.093 -7.564 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.182 -9.780 -1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.511 -8.782 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.547 -9.889 0.806 1.00 0.00 H new ATOM 546 N ILE A 33 7.964 -4.079 -2.801 1.00 0.00 N ATOM 547 CA ILE A 33 9.027 -3.198 -3.270 1.00 0.00 C ATOM 548 C ILE A 33 10.194 -3.176 -2.289 1.00 0.00 C ATOM 549 O ILE A 33 9.999 -3.180 -1.074 1.00 0.00 O ATOM 550 CB ILE A 33 8.516 -1.760 -3.476 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.293 -1.756 -4.395 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.619 -0.883 -4.049 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.580 -2.281 -5.784 1.00 0.00 C ATOM 0 H ILE A 33 7.580 -3.830 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 33 9.367 -3.594 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 33 8.221 -1.353 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.506 -2.360 -3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.910 -0.739 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.242 0.130 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.464 -0.864 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.942 -1.286 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.668 -2.249 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.344 -1.663 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.935 -3.310 -5.718 1.00 0.00 H new ATOM 565 N LYS A 34 11.410 -3.150 -2.826 1.00 0.00 N ATOM 566 CA LYS A 34 12.611 -3.124 -1.999 1.00 0.00 C ATOM 567 C LYS A 34 13.109 -1.694 -1.809 1.00 0.00 C ATOM 568 O LYS A 34 13.399 -0.994 -2.780 1.00 0.00 O ATOM 569 CB LYS A 34 13.710 -3.979 -2.633 1.00 0.00 C ATOM 570 CG LYS A 34 13.281 -5.406 -2.921 1.00 0.00 C ATOM 571 CD LYS A 34 14.476 -6.339 -3.017 1.00 0.00 C ATOM 572 CE LYS A 34 15.076 -6.620 -1.648 1.00 0.00 C ATOM 573 NZ LYS A 34 16.125 -5.626 -1.288 1.00 0.00 N ATOM 0 H LYS A 34 11.589 -3.146 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 34 12.359 -3.535 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.032 -3.511 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.574 -3.995 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.611 -5.751 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.719 -5.436 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.170 -7.277 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.234 -5.896 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.287 -6.605 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.506 -7.622 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.987 -6.124 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.338 -5.031 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.783 -5.027 -0.509 1.00 0.00 H new ATOM 587 N ILE A 35 13.208 -1.269 -0.554 1.00 0.00 N ATOM 588 CA ILE A 35 13.673 0.076 -0.238 1.00 0.00 C ATOM 589 C ILE A 35 15.197 0.131 -0.183 1.00 0.00 C ATOM 590 O ILE A 35 15.855 -0.754 0.362 1.00 0.00 O ATOM 591 CB ILE A 35 13.105 0.567 1.105 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.576 0.500 1.092 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.574 1.986 1.392 1.00 0.00 C ATOM 594 CD1 ILE A 35 10.960 0.497 2.474 1.00 0.00 C ATOM 0 H ILE A 35 12.973 -1.836 0.260 1.00 0.00 H new ATOM 0 HA ILE A 35 13.316 0.729 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 35 13.473 -0.085 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.188 1.351 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.264 -0.400 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.164 2.319 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.663 2.007 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.232 2.650 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.874 0.448 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.319 -0.368 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.242 1.409 3.000 1.00 0.00 H new ATOM 606 N PRO A 36 15.771 1.197 -0.759 1.00 0.00 N ATOM 607 CA PRO A 36 17.223 1.395 -0.787 1.00 0.00 C ATOM 608 C PRO A 36 17.792 1.712 0.593 1.00 0.00 C ATOM 609 O PRO A 36 17.546 2.782 1.145 1.00 0.00 O ATOM 610 CB PRO A 36 17.401 2.591 -1.725 1.00 0.00 C ATOM 611 CG PRO A 36 16.112 3.333 -1.641 1.00 0.00 C ATOM 612 CD PRO A 36 15.048 2.291 -1.428 1.00 0.00 C ATOM 0 HA PRO A 36 17.750 0.498 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.239 3.216 -1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.606 2.267 -2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.127 4.049 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.927 3.899 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.232 2.670 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.610 1.965 -2.371 1.00 0.00 H new ATOM 620 N GLY A 37 18.555 0.771 1.143 1.00 0.00 N ATOM 621 CA GLY A 37 19.146 0.969 2.454 1.00 0.00 C ATOM 622 C GLY A 37 18.206 0.583 3.578 1.00 0.00 C ATOM 623 O GLY A 37 18.020 1.342 4.530 1.00 0.00 O ATOM 0 H GLY A 37 18.774 -0.124 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.060 0.379 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.431 2.015 2.566 1.00 0.00 H new ATOM 627 N CYS A 38 17.611 -0.600 3.469 1.00 0.00 N ATOM 628 CA CYS A 38 16.683 -1.085 4.484 1.00 0.00 C ATOM 629 C CYS A 38 16.915 -2.566 4.769 1.00 0.00 C ATOM 630 O CYS A 38 17.846 -3.172 4.239 1.00 0.00 O ATOM 631 CB CYS A 38 15.239 -0.860 4.035 1.00 0.00 C ATOM 632 SG CYS A 38 14.586 -2.165 2.967 1.00 0.00 S ATOM 0 H CYS A 38 17.755 -1.240 2.688 1.00 0.00 H new ATOM 0 HA CYS A 38 16.861 -0.524 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.604 -0.776 4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.178 0.091 3.507 1.00 0.00 H new ATOM 0 HG CYS A 38 13.453 -2.589 3.443 1.00 0.00 H new ATOM 638 N ARG A 39 16.063 -3.141 5.612 1.00 0.00 N ATOM 639 CA ARG A 39 16.177 -4.550 5.970 1.00 0.00 C ATOM 640 C ARG A 39 14.892 -5.302 5.633 1.00 0.00 C ATOM 641 O ARG A 39 14.919 -6.496 5.335 1.00 0.00 O ATOM 642 CB ARG A 39 16.490 -4.696 7.460 1.00 0.00 C ATOM 643 CG ARG A 39 16.802 -6.123 7.880 1.00 0.00 C ATOM 644 CD ARG A 39 16.793 -6.273 9.393 1.00 0.00 C ATOM 645 NE ARG A 39 15.439 -6.245 9.939 1.00 0.00 N ATOM 646 CZ ARG A 39 15.160 -6.448 11.221 1.00 0.00 C ATOM 647 NH1 ARG A 39 16.135 -6.691 12.085 1.00 0.00 N ATOM 648 NH2 ARG A 39 13.901 -6.406 11.641 1.00 0.00 N ATOM 0 H ARG A 39 15.287 -2.653 6.059 1.00 0.00 H new ATOM 0 HA ARG A 39 16.993 -4.981 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.339 -4.059 7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.640 -4.334 8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.069 -6.801 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.778 -6.413 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 39 17.275 -7.212 9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.380 -5.471 9.840 1.00 0.00 H new ATOM 0 HE ARG A 39 14.665 -6.059 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.103 -6.722 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.917 -6.847 13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.148 -6.218 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.686 -6.562 12.626 1.00 0.00 H new ATOM 662 N LYS A 40 13.768 -4.595 5.683 1.00 0.00 N ATOM 663 CA LYS A 40 12.473 -5.193 5.383 1.00 0.00 C ATOM 664 C LYS A 40 11.867 -4.577 4.126 1.00 0.00 C ATOM 665 O LYS A 40 12.228 -3.469 3.732 1.00 0.00 O ATOM 666 CB LYS A 40 11.518 -5.010 6.565 1.00 0.00 C ATOM 667 CG LYS A 40 11.779 -5.972 7.712 1.00 0.00 C ATOM 668 CD LYS A 40 10.982 -7.256 7.554 1.00 0.00 C ATOM 669 CE LYS A 40 10.741 -7.930 8.896 1.00 0.00 C ATOM 670 NZ LYS A 40 9.646 -8.937 8.823 1.00 0.00 N ATOM 0 H LYS A 40 13.728 -3.606 5.929 1.00 0.00 H new ATOM 0 HA LYS A 40 12.624 -6.258 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.601 -3.987 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.493 -5.142 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.843 -6.206 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.517 -5.494 8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.026 -7.036 7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.517 -7.939 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.659 -8.415 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.491 -7.175 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.513 -9.374 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.764 -8.470 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.895 -9.671 8.130 1.00 0.00 H new ATOM 684 N GLN A 41 10.945 -5.302 3.503 1.00 0.00 N ATOM 685 CA GLN A 41 10.288 -4.826 2.291 1.00 0.00 C ATOM 686 C GLN A 41 8.829 -4.475 2.564 1.00 0.00 C ATOM 687 O GLN A 41 8.202 -5.039 3.459 1.00 0.00 O ATOM 688 CB GLN A 41 10.374 -5.884 1.190 1.00 0.00 C ATOM 689 CG GLN A 41 11.751 -5.993 0.556 1.00 0.00 C ATOM 690 CD GLN A 41 12.643 -6.992 1.265 1.00 0.00 C ATOM 691 OE1 GLN A 41 12.943 -6.843 2.449 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.071 -8.022 0.543 1.00 0.00 N ATOM 0 H GLN A 41 10.635 -6.222 3.817 1.00 0.00 H new ATOM 0 HA GLN A 41 10.803 -3.924 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.097 -6.853 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.644 -5.650 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.644 -6.285 -0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.230 -5.014 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.798 -8.107 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.673 -8.728 0.968 1.00 0.00 H new ATOM 701 N GLY A 42 8.296 -3.540 1.785 1.00 0.00 N ATOM 702 CA GLY A 42 6.914 -3.129 1.958 1.00 0.00 C ATOM 703 C GLY A 42 6.002 -3.693 0.888 1.00 0.00 C ATOM 704 O GLY A 42 6.455 -4.038 -0.206 1.00 0.00 O ATOM 0 H GLY A 42 8.796 -3.059 1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.562 -3.452 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.857 -2.041 1.942 1.00 0.00 H new ATOM 708 N LEU A 43 4.714 -3.790 1.199 1.00 0.00 N ATOM 709 CA LEU A 43 3.737 -4.318 0.254 1.00 0.00 C ATOM 710 C LEU A 43 2.797 -3.217 -0.229 1.00 0.00 C ATOM 711 O LEU A 43 2.354 -2.376 0.553 1.00 0.00 O ATOM 712 CB LEU A 43 2.929 -5.444 0.902 1.00 0.00 C ATOM 713 CG LEU A 43 1.638 -5.842 0.185 1.00 0.00 C ATOM 714 CD1 LEU A 43 1.945 -6.733 -1.009 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.690 -6.544 1.147 1.00 0.00 C ATOM 0 H LEU A 43 4.322 -3.510 2.098 1.00 0.00 H new ATOM 0 HA LEU A 43 4.277 -4.714 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.566 -6.325 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.678 -5.145 1.920 1.00 0.00 H new ATOM 0 HG LEU A 43 1.151 -4.937 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.015 -7.007 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.587 -6.197 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.453 -7.635 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.224 -6.820 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.168 -7.441 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.445 -5.874 1.971 1.00 0.00 H new ATOM 727 N VAL A 44 2.496 -3.230 -1.524 1.00 0.00 N ATOM 728 CA VAL A 44 1.607 -2.235 -2.112 1.00 0.00 C ATOM 729 C VAL A 44 0.314 -2.876 -2.604 1.00 0.00 C ATOM 730 O VAL A 44 0.277 -3.479 -3.678 1.00 0.00 O ATOM 731 CB VAL A 44 2.283 -1.501 -3.286 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.286 -0.598 -3.996 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.482 -0.705 -2.795 1.00 0.00 C ATOM 0 H VAL A 44 2.855 -3.919 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 44 1.376 -1.514 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 44 2.637 -2.243 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.781 -0.088 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.462 -1.198 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.899 0.140 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.948 -0.193 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.155 0.030 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.204 -1.381 -2.337 1.00 0.00 H new ATOM 743 N HIS A 45 -0.745 -2.742 -1.813 1.00 0.00 N ATOM 744 CA HIS A 45 -2.042 -3.307 -2.170 1.00 0.00 C ATOM 745 C HIS A 45 -2.428 -2.926 -3.595 1.00 0.00 C ATOM 746 O HIS A 45 -1.995 -1.894 -4.111 1.00 0.00 O ATOM 747 CB HIS A 45 -3.116 -2.830 -1.193 1.00 0.00 C ATOM 748 CG HIS A 45 -4.241 -3.802 -1.016 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.569 -3.440 -1.100 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.231 -5.131 -0.761 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.327 -4.504 -0.903 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.538 -5.544 -0.695 1.00 0.00 N ATOM 0 H HIS A 45 -0.731 -2.248 -0.921 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.965 -4.393 -2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.655 -2.641 -0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.519 -1.881 -1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.356 -5.752 -0.633 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.407 -4.521 -0.911 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.850 -6.498 -0.515 1.00 0.00 H new ATOM 760 N ARG A 46 -3.243 -3.765 -4.227 1.00 0.00 N ATOM 761 CA ARG A 46 -3.685 -3.515 -5.594 1.00 0.00 C ATOM 762 C ARG A 46 -4.455 -2.201 -5.686 1.00 0.00 C ATOM 763 O ARG A 46 -4.410 -1.512 -6.706 1.00 0.00 O ATOM 764 CB ARG A 46 -4.562 -4.668 -6.086 1.00 0.00 C ATOM 765 CG ARG A 46 -5.835 -4.854 -5.277 1.00 0.00 C ATOM 766 CD ARG A 46 -6.729 -5.923 -5.883 1.00 0.00 C ATOM 767 NE ARG A 46 -7.888 -6.209 -5.041 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.919 -6.949 -5.437 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.935 -7.475 -6.654 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.937 -7.164 -4.613 1.00 0.00 N ATOM 0 H ARG A 46 -3.610 -4.623 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.801 -3.442 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.827 -4.492 -7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.984 -5.592 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.580 -5.129 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.377 -3.910 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.067 -5.598 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.153 -6.837 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.907 -5.820 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.154 -7.312 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.728 -8.042 -6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.928 -6.761 -3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.728 -7.732 -4.917 1.00 0.00 H new ATOM 784 N THR A 47 -5.162 -1.860 -4.613 1.00 0.00 N ATOM 785 CA THR A 47 -5.943 -0.630 -4.572 1.00 0.00 C ATOM 786 C THR A 47 -5.045 0.597 -4.681 1.00 0.00 C ATOM 787 O THR A 47 -5.453 1.634 -5.203 1.00 0.00 O ATOM 788 CB THR A 47 -6.771 -0.532 -3.277 1.00 0.00 C ATOM 789 OG1 THR A 47 -5.902 -0.543 -2.139 1.00 0.00 O ATOM 790 CG2 THR A 47 -7.759 -1.684 -3.178 1.00 0.00 C ATOM 0 H THR A 47 -5.210 -2.419 -3.761 1.00 0.00 H new ATOM 0 HA THR A 47 -6.620 -0.658 -5.426 1.00 0.00 H new ATOM 0 HB THR A 47 -7.330 0.404 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.788 -1.464 -1.823 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.332 -1.593 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.437 -1.656 -4.031 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.217 -2.629 -3.177 1.00 0.00 H new ATOM 798 N HIS A 48 -3.817 0.471 -4.186 1.00 0.00 N ATOM 799 CA HIS A 48 -2.859 1.569 -4.229 1.00 0.00 C ATOM 800 C HIS A 48 -1.935 1.438 -5.436 1.00 0.00 C ATOM 801 O HIS A 48 -1.354 2.421 -5.895 1.00 0.00 O ATOM 802 CB HIS A 48 -2.033 1.605 -2.942 1.00 0.00 C ATOM 803 CG HIS A 48 -2.844 1.908 -1.719 1.00 0.00 C ATOM 804 ND1 HIS A 48 -3.026 3.185 -1.233 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.524 1.088 -0.884 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.781 3.138 -0.151 1.00 0.00 C ATOM 807 NE2 HIS A 48 -4.098 1.877 0.083 1.00 0.00 N ATOM 0 H HIS A 48 -3.463 -0.381 -3.751 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.417 2.501 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.538 0.643 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.249 2.356 -3.044 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.601 0.014 -0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.088 3.987 0.442 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.675 1.544 0.855 1.00 0.00 H new ATOM 815 N MET A 49 -1.805 0.218 -5.945 1.00 0.00 N ATOM 816 CA MET A 49 -0.952 -0.042 -7.099 1.00 0.00 C ATOM 817 C MET A 49 -1.269 0.923 -8.236 1.00 0.00 C ATOM 818 O MET A 49 -0.382 1.317 -8.994 1.00 0.00 O ATOM 819 CB MET A 49 -1.126 -1.485 -7.575 1.00 0.00 C ATOM 820 CG MET A 49 -0.249 -2.480 -6.835 1.00 0.00 C ATOM 821 SD MET A 49 -0.162 -4.081 -7.661 1.00 0.00 S ATOM 822 CE MET A 49 1.274 -3.844 -8.706 1.00 0.00 C ATOM 0 H MET A 49 -2.279 -0.607 -5.577 1.00 0.00 H new ATOM 0 HA MET A 49 0.084 0.109 -6.795 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.170 -1.775 -7.456 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.901 -1.537 -8.640 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.757 -2.070 -6.739 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.635 -2.617 -5.825 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.693 -4.814 -8.975 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.981 -3.312 -9.611 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.023 -3.262 -8.169 1.00 0.00 H new ATOM 832 N SER A 50 -2.538 1.301 -8.350 1.00 0.00 N ATOM 833 CA SER A 50 -2.971 2.217 -9.399 1.00 0.00 C ATOM 834 C SER A 50 -4.238 2.958 -8.982 1.00 0.00 C ATOM 835 O SER A 50 -5.213 2.348 -8.544 1.00 0.00 O ATOM 836 CB SER A 50 -3.220 1.454 -10.702 1.00 0.00 C ATOM 837 OG SER A 50 -3.169 2.324 -11.819 1.00 0.00 O ATOM 0 H SER A 50 -3.284 0.987 -7.729 1.00 0.00 H new ATOM 0 HA SER A 50 -2.178 2.947 -9.560 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.474 0.668 -10.815 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.194 0.966 -10.661 1.00 0.00 H new ATOM 0 HG SER A 50 -4.065 2.412 -12.206 1.00 0.00 H new ATOM 843 N SER A 51 -4.216 4.280 -9.121 1.00 0.00 N ATOM 844 CA SER A 51 -5.359 5.108 -8.756 1.00 0.00 C ATOM 845 C SER A 51 -6.637 4.587 -9.410 1.00 0.00 C ATOM 846 O SER A 51 -7.608 4.262 -8.727 1.00 0.00 O ATOM 847 CB SER A 51 -5.117 6.560 -9.168 1.00 0.00 C ATOM 848 OG SER A 51 -5.147 6.703 -10.578 1.00 0.00 O ATOM 0 H SER A 51 -3.418 4.801 -9.484 1.00 0.00 H new ATOM 0 HA SER A 51 -5.479 5.061 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.876 7.200 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.152 6.893 -8.786 1.00 0.00 H new ATOM 0 HG SER A 51 -4.991 7.641 -10.815 1.00 0.00 H new ATOM 854 N CYS A 52 -6.627 4.514 -10.736 1.00 0.00 N ATOM 855 CA CYS A 52 -7.783 4.034 -11.485 1.00 0.00 C ATOM 856 C CYS A 52 -8.136 2.607 -11.083 1.00 0.00 C ATOM 857 O CYS A 52 -7.507 2.026 -10.199 1.00 0.00 O ATOM 858 CB CYS A 52 -7.509 4.103 -12.987 1.00 0.00 C ATOM 859 SG CYS A 52 -6.238 2.950 -13.557 1.00 0.00 S ATOM 0 H CYS A 52 -5.831 4.781 -11.315 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.631 4.678 -11.250 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -8.436 3.901 -13.524 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.206 5.118 -13.244 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.078 3.081 -14.840 1.00 0.00 H new ATOM 865 N ARG A 53 -9.148 2.047 -11.737 1.00 0.00 N ATOM 866 CA ARG A 53 -9.587 0.687 -11.447 1.00 0.00 C ATOM 867 C ARG A 53 -8.478 -0.317 -11.743 1.00 0.00 C ATOM 868 O ARG A 53 -7.846 -0.268 -12.798 1.00 0.00 O ATOM 869 CB ARG A 53 -10.833 0.344 -12.268 1.00 0.00 C ATOM 870 CG ARG A 53 -12.128 0.835 -11.643 1.00 0.00 C ATOM 871 CD ARG A 53 -13.232 0.967 -12.681 1.00 0.00 C ATOM 872 NE ARG A 53 -13.033 2.127 -13.546 1.00 0.00 N ATOM 873 CZ ARG A 53 -13.991 2.649 -14.305 1.00 0.00 C ATOM 874 NH1 ARG A 53 -15.206 2.118 -14.304 1.00 0.00 N ATOM 875 NH2 ARG A 53 -13.733 3.705 -15.065 1.00 0.00 N ATOM 0 H ARG A 53 -9.680 2.514 -12.472 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.832 0.630 -10.386 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.733 0.777 -13.263 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.888 -0.737 -12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.442 0.142 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.960 1.800 -11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.268 0.063 -13.289 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.195 1.051 -12.177 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.110 2.560 -13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.408 1.307 -13.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.939 2.521 -14.888 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.800 4.116 -15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.468 4.106 -15.648 1.00 0.00 H new ATOM 889 N VAL A 54 -8.246 -1.229 -10.804 1.00 0.00 N ATOM 890 CA VAL A 54 -7.213 -2.245 -10.963 1.00 0.00 C ATOM 891 C VAL A 54 -7.826 -3.633 -11.116 1.00 0.00 C ATOM 892 O VAL A 54 -8.411 -4.171 -10.176 1.00 0.00 O ATOM 893 CB VAL A 54 -6.244 -2.254 -9.767 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.225 -3.375 -9.911 1.00 0.00 C ATOM 895 CG2 VAL A 54 -5.550 -0.906 -9.633 1.00 0.00 C ATOM 0 H VAL A 54 -8.760 -1.285 -9.925 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.659 -1.993 -11.867 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.819 -2.433 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.549 -3.364 -9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.742 -4.334 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.653 -3.231 -10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.869 -0.930 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.988 -0.694 -10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.296 -0.127 -9.478 1.00 0.00 H new ATOM 905 N ASP A 55 -7.688 -4.207 -12.306 1.00 0.00 N ATOM 906 CA ASP A 55 -8.228 -5.533 -12.583 1.00 0.00 C ATOM 907 C ASP A 55 -7.119 -6.580 -12.587 1.00 0.00 C ATOM 908 O ASP A 55 -7.290 -7.684 -12.069 1.00 0.00 O ATOM 909 CB ASP A 55 -8.958 -5.540 -13.927 1.00 0.00 C ATOM 910 CG ASP A 55 -9.955 -4.405 -14.050 1.00 0.00 C ATOM 911 OD1 ASP A 55 -10.624 -4.090 -13.043 1.00 0.00 O ATOM 912 OD2 ASP A 55 -10.065 -3.829 -15.152 1.00 0.00 O ATOM 0 H ASP A 55 -7.207 -3.775 -13.095 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.937 -5.782 -11.793 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.229 -5.468 -14.734 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.477 -6.491 -14.050 1.00 0.00 H new ATOM 917 N LYS A 56 -5.981 -6.227 -13.176 1.00 0.00 N ATOM 918 CA LYS A 56 -4.843 -7.136 -13.248 1.00 0.00 C ATOM 919 C LYS A 56 -3.552 -6.423 -12.859 1.00 0.00 C ATOM 920 O LYS A 56 -2.837 -5.877 -13.702 1.00 0.00 O ATOM 921 CB LYS A 56 -4.714 -7.714 -14.659 1.00 0.00 C ATOM 922 CG LYS A 56 -5.529 -8.977 -14.877 1.00 0.00 C ATOM 923 CD LYS A 56 -5.471 -9.436 -16.325 1.00 0.00 C ATOM 924 CE LYS A 56 -6.396 -10.617 -16.572 1.00 0.00 C ATOM 925 NZ LYS A 56 -6.119 -11.275 -17.879 1.00 0.00 N ATOM 0 H LYS A 56 -5.822 -5.318 -13.610 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.015 -7.950 -12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.028 -6.960 -15.381 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.665 -7.930 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.155 -9.769 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.566 -8.796 -14.593 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.749 -8.611 -16.981 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.448 -9.714 -16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.280 -11.344 -15.768 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.432 -10.278 -16.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.770 -12.075 -18.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.254 -10.589 -18.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.138 -11.621 -17.892 1.00 0.00 H new ATOM 939 N PRO A 57 -3.241 -6.427 -11.554 1.00 0.00 N ATOM 940 CA PRO A 57 -2.035 -5.786 -11.026 1.00 0.00 C ATOM 941 C PRO A 57 -0.763 -6.523 -11.429 1.00 0.00 C ATOM 942 O PRO A 57 0.335 -5.970 -11.361 1.00 0.00 O ATOM 943 CB PRO A 57 -2.233 -5.853 -9.509 1.00 0.00 C ATOM 944 CG PRO A 57 -3.139 -7.016 -9.297 1.00 0.00 C ATOM 945 CD PRO A 57 -4.047 -7.058 -10.495 1.00 0.00 C ATOM 0 HA PRO A 57 -1.911 -4.773 -11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.284 -5.991 -8.991 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.674 -4.933 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.571 -7.942 -9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.712 -6.902 -8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.323 -8.080 -10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.974 -6.513 -10.316 1.00 0.00 H new ATOM 953 N SER A 58 -0.917 -7.774 -11.850 1.00 0.00 N ATOM 954 CA SER A 58 0.220 -8.588 -12.262 1.00 0.00 C ATOM 955 C SER A 58 0.717 -8.170 -13.643 1.00 0.00 C ATOM 956 O SER A 58 1.728 -8.674 -14.129 1.00 0.00 O ATOM 957 CB SER A 58 -0.163 -10.070 -12.274 1.00 0.00 C ATOM 958 OG SER A 58 -1.051 -10.359 -13.340 1.00 0.00 O ATOM 0 H SER A 58 -1.819 -8.246 -11.915 1.00 0.00 H new ATOM 0 HA SER A 58 1.024 -8.433 -11.543 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.735 -10.680 -12.369 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.630 -10.336 -11.326 1.00 0.00 H new ATOM 0 HG SER A 58 -1.279 -11.312 -13.327 1.00 0.00 H new ATOM 964 N GLU A 59 -0.004 -7.243 -14.267 1.00 0.00 N ATOM 965 CA GLU A 59 0.362 -6.757 -15.592 1.00 0.00 C ATOM 966 C GLU A 59 0.858 -5.315 -15.525 1.00 0.00 C ATOM 967 O GLU A 59 1.486 -4.819 -16.461 1.00 0.00 O ATOM 968 CB GLU A 59 -0.832 -6.854 -16.544 1.00 0.00 C ATOM 969 CG GLU A 59 -1.106 -8.266 -17.035 1.00 0.00 C ATOM 970 CD GLU A 59 -0.060 -8.755 -18.018 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.155 -8.074 -19.043 1.00 0.00 O ATOM 972 OE2 GLU A 59 0.542 -9.819 -17.763 1.00 0.00 O ATOM 0 H GLU A 59 -0.843 -6.815 -13.877 1.00 0.00 H new ATOM 0 HA GLU A 59 1.170 -7.384 -15.970 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.720 -6.475 -16.039 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.654 -6.208 -17.403 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.142 -8.943 -16.181 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.087 -8.298 -17.508 1.00 0.00 H new ATOM 979 N ILE A 60 0.567 -4.648 -14.413 1.00 0.00 N ATOM 980 CA ILE A 60 0.983 -3.264 -14.223 1.00 0.00 C ATOM 981 C ILE A 60 2.482 -3.172 -13.956 1.00 0.00 C ATOM 982 O ILE A 60 3.163 -2.290 -14.478 1.00 0.00 O ATOM 983 CB ILE A 60 0.224 -2.603 -13.058 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.287 -2.728 -13.269 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.626 -1.142 -12.924 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.105 -2.129 -12.147 1.00 0.00 C ATOM 0 H ILE A 60 0.045 -5.043 -13.631 1.00 0.00 H new ATOM 0 HA ILE A 60 0.748 -2.734 -15.146 1.00 0.00 H new ATOM 0 HB ILE A 60 0.487 -3.118 -12.134 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.557 -2.239 -14.205 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.545 -3.782 -13.374 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.081 -0.689 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.697 -1.075 -12.733 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.389 -0.613 -13.847 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.166 -2.254 -12.364 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.864 -2.634 -11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.876 -1.067 -12.056 1.00 0.00 H new ATOM 998 N VAL A 61 2.989 -4.089 -13.139 1.00 0.00 N ATOM 999 CA VAL A 61 4.408 -4.114 -12.804 1.00 0.00 C ATOM 1000 C VAL A 61 4.976 -5.524 -12.922 1.00 0.00 C ATOM 1001 O VAL A 61 4.233 -6.491 -13.089 1.00 0.00 O ATOM 1002 CB VAL A 61 4.657 -3.589 -11.378 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.044 -2.209 -11.202 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.102 -4.563 -10.349 1.00 0.00 C ATOM 0 H VAL A 61 2.438 -4.825 -12.697 1.00 0.00 H new ATOM 0 HA VAL A 61 4.913 -3.462 -13.516 1.00 0.00 H new ATOM 0 HB VAL A 61 5.733 -3.504 -11.223 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.230 -1.855 -10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.492 -1.518 -11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.969 -2.263 -11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.286 -4.177 -9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.029 -4.681 -10.501 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.593 -5.530 -10.461 1.00 0.00 H new ATOM 1014 N ASP A 62 6.297 -5.633 -12.834 1.00 0.00 N ATOM 1015 CA ASP A 62 6.966 -6.925 -12.929 1.00 0.00 C ATOM 1016 C ASP A 62 8.345 -6.873 -12.278 1.00 0.00 C ATOM 1017 O ASP A 62 9.087 -5.905 -12.449 1.00 0.00 O ATOM 1018 CB ASP A 62 7.094 -7.350 -14.393 1.00 0.00 C ATOM 1019 CG ASP A 62 5.870 -6.990 -15.210 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.706 -5.795 -15.537 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.076 -7.901 -15.524 1.00 0.00 O ATOM 0 H ASP A 62 6.926 -4.842 -12.697 1.00 0.00 H new ATOM 0 HA ASP A 62 6.361 -7.660 -12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.972 -6.875 -14.831 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.256 -8.427 -14.443 1.00 0.00 H new ATOM 1026 N VAL A 63 8.682 -7.919 -11.532 1.00 0.00 N ATOM 1027 CA VAL A 63 9.971 -7.992 -10.856 1.00 0.00 C ATOM 1028 C VAL A 63 11.084 -7.428 -11.731 1.00 0.00 C ATOM 1029 O VAL A 63 11.264 -7.849 -12.873 1.00 0.00 O ATOM 1030 CB VAL A 63 10.322 -9.442 -10.471 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.693 -9.504 -9.815 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.256 -10.022 -9.553 1.00 0.00 C ATOM 0 H VAL A 63 8.080 -8.728 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 63 9.886 -7.393 -9.949 1.00 0.00 H new ATOM 0 HB VAL A 63 10.353 -10.043 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.923 -10.536 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.446 -9.131 -10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.694 -8.890 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.520 -11.047 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.191 -9.421 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.293 -10.015 -10.063 1.00 0.00 H new ATOM 1042 N GLY A 64 11.830 -6.471 -11.187 1.00 0.00 N ATOM 1043 CA GLY A 64 12.916 -5.863 -11.934 1.00 0.00 C ATOM 1044 C GLY A 64 12.636 -4.417 -12.292 1.00 0.00 C ATOM 1045 O GLY A 64 13.552 -3.665 -12.626 1.00 0.00 O ATOM 0 H GLY A 64 11.702 -6.106 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.832 -5.918 -11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.089 -6.433 -12.847 1.00 0.00 H new ATOM 1049 N ASP A 65 11.368 -4.027 -12.224 1.00 0.00 N ATOM 1050 CA ASP A 65 10.970 -2.662 -12.545 1.00 0.00 C ATOM 1051 C ASP A 65 11.086 -1.759 -11.321 1.00 0.00 C ATOM 1052 O ASP A 65 10.693 -2.138 -10.217 1.00 0.00 O ATOM 1053 CB ASP A 65 9.536 -2.638 -13.077 1.00 0.00 C ATOM 1054 CG ASP A 65 9.415 -3.282 -14.444 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.439 -3.362 -15.155 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.296 -3.705 -14.803 1.00 0.00 O ATOM 0 H ASP A 65 10.598 -4.637 -11.949 1.00 0.00 H new ATOM 0 HA ASP A 65 11.642 -2.286 -13.316 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.882 -3.156 -12.375 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.189 -1.606 -13.133 1.00 0.00 H new ATOM 1061 N LYS A 66 11.631 -0.565 -11.521 1.00 0.00 N ATOM 1062 CA LYS A 66 11.800 0.392 -10.435 1.00 0.00 C ATOM 1063 C LYS A 66 10.744 1.490 -10.507 1.00 0.00 C ATOM 1064 O LYS A 66 10.511 2.072 -11.567 1.00 0.00 O ATOM 1065 CB LYS A 66 13.199 1.012 -10.486 1.00 0.00 C ATOM 1066 CG LYS A 66 13.389 2.166 -9.518 1.00 0.00 C ATOM 1067 CD LYS A 66 14.721 2.863 -9.736 1.00 0.00 C ATOM 1068 CE LYS A 66 15.886 1.989 -9.299 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.171 2.132 -7.844 1.00 0.00 N ATOM 0 H LYS A 66 11.964 -0.236 -12.427 1.00 0.00 H new ATOM 0 HA LYS A 66 11.680 -0.142 -9.493 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.937 0.240 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.395 1.363 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.578 2.883 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.334 1.796 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.831 3.118 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.738 3.799 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.662 0.946 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.775 2.255 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.971 1.520 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.409 3.122 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.332 1.853 -7.297 1.00 0.00 H new ATOM 1083 N VAL A 67 10.108 1.769 -9.374 1.00 0.00 N ATOM 1084 CA VAL A 67 9.077 2.800 -9.309 1.00 0.00 C ATOM 1085 C VAL A 67 9.172 3.588 -8.008 1.00 0.00 C ATOM 1086 O VAL A 67 9.909 3.215 -7.096 1.00 0.00 O ATOM 1087 CB VAL A 67 7.668 2.191 -9.428 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.466 1.577 -10.804 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.440 1.158 -8.335 1.00 0.00 C ATOM 0 H VAL A 67 10.288 1.296 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 67 9.245 3.472 -10.150 1.00 0.00 H new ATOM 0 HB VAL A 67 6.935 2.988 -9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.465 1.152 -10.869 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.584 2.347 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.205 0.792 -10.964 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.439 0.738 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.179 0.362 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.539 1.633 -7.359 1.00 0.00 H new ATOM 1099 N TRP A 68 8.419 4.679 -7.929 1.00 0.00 N ATOM 1100 CA TRP A 68 8.416 5.523 -6.739 1.00 0.00 C ATOM 1101 C TRP A 68 7.222 5.200 -5.847 1.00 0.00 C ATOM 1102 O TRP A 68 6.089 5.105 -6.320 1.00 0.00 O ATOM 1103 CB TRP A 68 8.390 6.999 -7.134 1.00 0.00 C ATOM 1104 CG TRP A 68 9.667 7.469 -7.763 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.926 7.591 -9.098 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.858 7.877 -7.082 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.206 8.050 -9.288 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.799 8.234 -8.067 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.221 7.978 -5.736 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.078 8.683 -7.747 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.490 8.423 -5.420 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.406 8.772 -6.421 1.00 0.00 C ATOM 0 H TRP A 68 7.802 5.000 -8.675 1.00 0.00 H new ATOM 0 HA TRP A 68 9.329 5.322 -6.179 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.568 7.167 -7.829 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.187 7.601 -6.248 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.227 7.360 -9.888 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.644 8.226 -10.192 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.522 7.713 -4.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.786 8.951 -8.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.781 8.503 -4.383 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.390 9.118 -6.141 1.00 0.00 H new ATOM 1123 N VAL A 69 7.482 5.033 -4.554 1.00 0.00 N ATOM 1124 CA VAL A 69 6.428 4.723 -3.596 1.00 0.00 C ATOM 1125 C VAL A 69 6.524 5.618 -2.365 1.00 0.00 C ATOM 1126 O VAL A 69 7.582 6.172 -2.067 1.00 0.00 O ATOM 1127 CB VAL A 69 6.489 3.250 -3.152 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.328 2.324 -4.347 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.792 2.968 -2.420 1.00 0.00 C ATOM 0 H VAL A 69 8.414 5.107 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 69 5.479 4.904 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 69 5.664 3.062 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.374 1.287 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.365 2.509 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.129 2.510 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.818 1.922 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.633 3.173 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.860 3.606 -1.539 1.00 0.00 H new ATOM 1139 N LYS A 70 5.410 5.755 -1.653 1.00 0.00 N ATOM 1140 CA LYS A 70 5.367 6.582 -0.452 1.00 0.00 C ATOM 1141 C LYS A 70 4.759 5.812 0.715 1.00 0.00 C ATOM 1142 O LYS A 70 3.671 5.245 0.600 1.00 0.00 O ATOM 1143 CB LYS A 70 4.560 7.855 -0.713 1.00 0.00 C ATOM 1144 CG LYS A 70 4.286 8.669 0.539 1.00 0.00 C ATOM 1145 CD LYS A 70 3.019 9.497 0.401 1.00 0.00 C ATOM 1146 CE LYS A 70 1.779 8.674 0.712 1.00 0.00 C ATOM 1147 NZ LYS A 70 1.418 8.737 2.155 1.00 0.00 N ATOM 0 H LYS A 70 4.525 5.304 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 70 6.390 6.855 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.098 8.476 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.611 7.585 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.193 8.001 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.132 9.327 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.067 10.353 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.950 9.892 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.944 9.036 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.951 7.636 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.408 8.516 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.987 8.046 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.607 9.693 2.519 1.00 0.00 H new ATOM 1161 N LEU A 71 5.465 5.797 1.841 1.00 0.00 N ATOM 1162 CA LEU A 71 4.994 5.099 3.031 1.00 0.00 C ATOM 1163 C LEU A 71 3.675 5.687 3.522 1.00 0.00 C ATOM 1164 O LEU A 71 3.560 6.896 3.723 1.00 0.00 O ATOM 1165 CB LEU A 71 6.043 5.176 4.141 1.00 0.00 C ATOM 1166 CG LEU A 71 5.827 4.247 5.337 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.295 2.838 5.010 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.550 4.781 6.565 1.00 0.00 C ATOM 0 H LEU A 71 6.366 6.261 1.954 1.00 0.00 H new ATOM 0 HA LEU A 71 4.829 4.054 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.018 4.956 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.081 6.202 4.506 1.00 0.00 H new ATOM 0 HG LEU A 71 4.760 4.211 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.133 2.192 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.731 2.456 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.357 2.855 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.385 4.107 7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.618 4.848 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.165 5.771 6.812 1.00 0.00 H new ATOM 1180 N ILE A 72 2.684 4.823 3.714 1.00 0.00 N ATOM 1181 CA ILE A 72 1.374 5.257 4.183 1.00 0.00 C ATOM 1182 C ILE A 72 1.116 4.783 5.610 1.00 0.00 C ATOM 1183 O ILE A 72 0.338 5.389 6.345 1.00 0.00 O ATOM 1184 CB ILE A 72 0.247 4.737 3.271 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.097 3.223 3.422 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.528 5.105 1.821 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.864 2.608 2.428 1.00 0.00 C ATOM 0 H ILE A 72 2.763 3.819 3.552 1.00 0.00 H new ATOM 0 HA ILE A 72 1.376 6.347 4.158 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.690 5.207 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.075 2.756 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.245 2.999 4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.277 4.731 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.590 6.189 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.472 4.659 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.920 1.532 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.853 3.048 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.512 2.801 1.415 1.00 0.00 H new ATOM 1199 N GLY A 73 1.778 3.695 5.994 1.00 0.00 N ATOM 1200 CA GLY A 73 1.608 3.159 7.332 1.00 0.00 C ATOM 1201 C GLY A 73 2.685 2.155 7.695 1.00 0.00 C ATOM 1202 O GLY A 73 2.821 1.120 7.043 1.00 0.00 O ATOM 0 H GLY A 73 2.428 3.176 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.620 3.977 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.631 2.682 7.408 1.00 0.00 H new ATOM 1206 N ARG A 74 3.451 2.462 8.735 1.00 0.00 N ATOM 1207 CA ARG A 74 4.523 1.580 9.181 1.00 0.00 C ATOM 1208 C ARG A 74 4.302 1.142 10.627 1.00 0.00 C ATOM 1209 O ARG A 74 4.147 1.975 11.520 1.00 0.00 O ATOM 1210 CB ARG A 74 5.876 2.280 9.051 1.00 0.00 C ATOM 1211 CG ARG A 74 5.929 3.636 9.735 1.00 0.00 C ATOM 1212 CD ARG A 74 7.358 4.134 9.877 1.00 0.00 C ATOM 1213 NE ARG A 74 8.173 3.235 10.688 1.00 0.00 N ATOM 1214 CZ ARG A 74 9.471 3.415 10.906 1.00 0.00 C ATOM 1215 NH1 ARG A 74 10.098 4.456 10.377 1.00 0.00 N ATOM 1216 NH2 ARG A 74 10.145 2.551 11.656 1.00 0.00 N ATOM 0 H ARG A 74 3.350 3.315 9.285 1.00 0.00 H new ATOM 0 HA ARG A 74 4.517 0.694 8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.649 1.639 9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.110 2.406 7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.347 4.357 9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.468 3.566 10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.806 4.237 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.353 5.126 10.329 1.00 0.00 H new ATOM 0 HE ARG A 74 7.721 2.424 11.111 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.584 5.122 9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.095 4.591 10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.666 1.749 12.065 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.142 2.690 11.823 1.00 0.00 H new ATOM 1230 N GLU A 75 4.287 -0.168 10.848 1.00 0.00 N ATOM 1231 CA GLU A 75 4.083 -0.715 12.183 1.00 0.00 C ATOM 1232 C GLU A 75 5.136 -1.772 12.505 1.00 0.00 C ATOM 1233 O GLU A 75 5.295 -2.748 11.773 1.00 0.00 O ATOM 1234 CB GLU A 75 2.683 -1.321 12.303 1.00 0.00 C ATOM 1235 CG GLU A 75 1.619 -0.319 12.718 1.00 0.00 C ATOM 1236 CD GLU A 75 0.211 -0.840 12.502 1.00 0.00 C ATOM 1237 OE1 GLU A 75 -0.337 -0.625 11.402 1.00 0.00 O ATOM 1238 OE2 GLU A 75 -0.342 -1.461 13.434 1.00 0.00 O ATOM 0 H GLU A 75 4.414 -0.870 10.119 1.00 0.00 H new ATOM 0 HA GLU A 75 4.180 0.100 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.403 -1.760 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.709 -2.133 13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.752 -0.068 13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.752 0.603 12.151 1.00 0.00 H new ATOM 1245 N MET A 76 5.852 -1.569 13.607 1.00 0.00 N ATOM 1246 CA MET A 76 6.888 -2.505 14.027 1.00 0.00 C ATOM 1247 C MET A 76 6.541 -3.133 15.373 1.00 0.00 C ATOM 1248 O MET A 76 6.495 -2.450 16.396 1.00 0.00 O ATOM 1249 CB MET A 76 8.240 -1.795 14.116 1.00 0.00 C ATOM 1250 CG MET A 76 9.287 -2.575 14.894 1.00 0.00 C ATOM 1251 SD MET A 76 9.274 -2.193 16.656 1.00 0.00 S ATOM 1252 CE MET A 76 10.314 -3.502 17.295 1.00 0.00 C ATOM 0 H MET A 76 5.734 -0.766 14.224 1.00 0.00 H new ATOM 0 HA MET A 76 6.950 -3.298 13.282 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.611 -1.611 13.108 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.100 -0.822 14.587 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.115 -3.643 14.757 1.00 0.00 H new ATOM 0 HG3 MET A 76 10.274 -2.356 14.486 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.402 -3.401 18.377 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.871 -4.469 17.056 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.303 -3.435 16.842 1.00 0.00 H new ATOM 1262 N LYS A 77 6.296 -4.440 15.365 1.00 0.00 N ATOM 1263 CA LYS A 77 5.955 -5.161 16.585 1.00 0.00 C ATOM 1264 C LYS A 77 6.998 -6.228 16.897 1.00 0.00 C ATOM 1265 O LYS A 77 7.574 -6.830 15.992 1.00 0.00 O ATOM 1266 CB LYS A 77 4.574 -5.807 16.449 1.00 0.00 C ATOM 1267 CG LYS A 77 3.931 -6.154 17.782 1.00 0.00 C ATOM 1268 CD LYS A 77 3.377 -4.919 18.472 1.00 0.00 C ATOM 1269 CE LYS A 77 2.023 -4.522 17.902 1.00 0.00 C ATOM 1270 NZ LYS A 77 1.266 -3.640 18.833 1.00 0.00 N ATOM 0 H LYS A 77 6.327 -5.021 14.527 1.00 0.00 H new ATOM 0 HA LYS A 77 5.937 -4.446 17.407 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.917 -5.129 15.904 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.664 -6.714 15.851 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.128 -6.874 17.623 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.666 -6.634 18.428 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.281 -5.110 19.541 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.078 -4.092 18.358 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.166 -4.009 16.951 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.439 -5.419 17.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.350 -3.392 18.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.107 -4.139 19.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.812 -2.773 19.010 1.00 0.00 H new ATOM 1284 N ASN A 78 7.237 -6.457 18.185 1.00 0.00 N ATOM 1285 CA ASN A 78 8.212 -7.454 18.616 1.00 0.00 C ATOM 1286 C ASN A 78 7.838 -8.840 18.099 1.00 0.00 C ATOM 1287 O ASN A 78 8.649 -9.765 18.133 1.00 0.00 O ATOM 1288 CB ASN A 78 8.310 -7.474 20.142 1.00 0.00 C ATOM 1289 CG ASN A 78 8.323 -6.081 20.740 1.00 0.00 C ATOM 1290 OD1 ASN A 78 8.834 -5.138 20.135 1.00 0.00 O ATOM 1291 ND2 ASN A 78 7.760 -5.944 21.935 1.00 0.00 N ATOM 0 H ASN A 78 6.770 -5.967 18.948 1.00 0.00 H new ATOM 0 HA ASN A 78 9.182 -7.182 18.200 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.468 -8.033 20.550 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.217 -8.002 20.438 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.739 -5.030 22.387 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.348 -6.753 22.401 1.00 0.00 H new ATOM 1298 N ASP A 79 6.606 -8.973 17.622 1.00 0.00 N ATOM 1299 CA ASP A 79 6.124 -10.246 17.096 1.00 0.00 C ATOM 1300 C ASP A 79 6.227 -10.281 15.575 1.00 0.00 C ATOM 1301 O ASP A 79 6.398 -11.343 14.978 1.00 0.00 O ATOM 1302 CB ASP A 79 4.676 -10.485 17.528 1.00 0.00 C ATOM 1303 CG ASP A 79 4.170 -11.856 17.124 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.398 -12.819 17.884 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.548 -11.965 16.047 1.00 0.00 O ATOM 0 H ASP A 79 5.923 -8.216 17.588 1.00 0.00 H new ATOM 0 HA ASP A 79 6.752 -11.039 17.502 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.600 -10.377 18.610 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.037 -9.720 17.086 1.00 0.00 H new ATOM 1310 N ARG A 80 6.122 -9.110 14.954 1.00 0.00 N ATOM 1311 CA ARG A 80 6.201 -9.006 13.501 1.00 0.00 C ATOM 1312 C ARG A 80 6.161 -7.547 13.058 1.00 0.00 C ATOM 1313 O ARG A 80 5.667 -6.682 13.782 1.00 0.00 O ATOM 1314 CB ARG A 80 5.053 -9.780 12.851 1.00 0.00 C ATOM 1315 CG ARG A 80 3.692 -9.137 13.055 1.00 0.00 C ATOM 1316 CD ARG A 80 2.596 -9.909 12.337 1.00 0.00 C ATOM 1317 NE ARG A 80 2.788 -9.913 10.889 1.00 0.00 N ATOM 1318 CZ ARG A 80 3.561 -10.786 10.253 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.210 -11.721 10.932 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.685 -10.724 8.932 1.00 0.00 N ATOM 0 H ARG A 80 5.982 -8.221 15.434 1.00 0.00 H new ATOM 0 HA ARG A 80 7.149 -9.439 13.181 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.246 -9.870 11.782 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.032 -10.791 13.257 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.467 -9.090 14.120 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.715 -8.111 12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.576 -10.936 12.703 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.628 -9.468 12.573 1.00 0.00 H new ATOM 0 HE ARG A 80 2.302 -9.207 10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.117 -11.772 11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.803 -12.390 10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.187 -10.006 8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.279 -11.394 8.443 1.00 0.00 H new ATOM 1334 N ILE A 81 6.684 -7.282 11.866 1.00 0.00 N ATOM 1335 CA ILE A 81 6.707 -5.928 11.326 1.00 0.00 C ATOM 1336 C ILE A 81 5.873 -5.829 10.055 1.00 0.00 C ATOM 1337 O ILE A 81 6.014 -6.642 9.140 1.00 0.00 O ATOM 1338 CB ILE A 81 8.146 -5.469 11.020 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.020 -5.589 12.270 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.146 -4.039 10.502 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.493 -5.382 11.999 1.00 0.00 C ATOM 0 H ILE A 81 7.098 -7.987 11.256 1.00 0.00 H new ATOM 0 HA ILE A 81 6.280 -5.276 12.089 1.00 0.00 H new ATOM 0 HB ILE A 81 8.561 -6.115 10.247 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.688 -4.858 13.007 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.875 -6.575 12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.169 -3.729 10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.553 -3.983 9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.715 -3.379 11.255 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.052 -5.481 12.930 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.840 -6.129 11.286 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.650 -4.386 11.586 1.00 0.00 H new ATOM 1353 N LYS A 82 5.003 -4.825 10.001 1.00 0.00 N ATOM 1354 CA LYS A 82 4.145 -4.616 8.841 1.00 0.00 C ATOM 1355 C LYS A 82 4.438 -3.271 8.183 1.00 0.00 C ATOM 1356 O LYS A 82 4.464 -2.236 8.850 1.00 0.00 O ATOM 1357 CB LYS A 82 2.673 -4.687 9.249 1.00 0.00 C ATOM 1358 CG LYS A 82 1.746 -5.093 8.116 1.00 0.00 C ATOM 1359 CD LYS A 82 0.287 -4.881 8.486 1.00 0.00 C ATOM 1360 CE LYS A 82 -0.184 -5.906 9.506 1.00 0.00 C ATOM 1361 NZ LYS A 82 -1.382 -5.434 10.254 1.00 0.00 N ATOM 0 H LYS A 82 4.874 -4.143 10.748 1.00 0.00 H new ATOM 0 HA LYS A 82 4.353 -5.406 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.566 -5.399 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.363 -3.714 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.984 -4.513 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.911 -6.142 7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.155 -3.877 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.330 -4.948 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.418 -6.842 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.623 -6.117 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.672 -6.161 10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.152 -4.554 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.160 -5.257 9.587 1.00 0.00 H new ATOM 1375 N VAL A 83 4.658 -3.293 6.873 1.00 0.00 N ATOM 1376 CA VAL A 83 4.945 -2.074 6.126 1.00 0.00 C ATOM 1377 C VAL A 83 4.013 -1.931 4.928 1.00 0.00 C ATOM 1378 O VAL A 83 3.883 -2.847 4.116 1.00 0.00 O ATOM 1379 CB VAL A 83 6.405 -2.050 5.633 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.675 -0.789 4.826 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.365 -2.158 6.808 1.00 0.00 C ATOM 0 H VAL A 83 4.643 -4.141 6.307 1.00 0.00 H new ATOM 0 HA VAL A 83 4.785 -1.239 6.808 1.00 0.00 H new ATOM 0 HB VAL A 83 6.566 -2.910 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.711 -0.789 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.010 -0.760 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.498 0.087 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.392 -2.140 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.206 -1.319 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.186 -3.093 7.339 1.00 0.00 H new ATOM 1391 N SER A 84 3.367 -0.774 4.824 1.00 0.00 N ATOM 1392 CA SER A 84 2.444 -0.512 3.726 1.00 0.00 C ATOM 1393 C SER A 84 2.947 0.636 2.855 1.00 0.00 C ATOM 1394 O SER A 84 3.268 1.716 3.354 1.00 0.00 O ATOM 1395 CB SER A 84 1.053 -0.181 4.270 1.00 0.00 C ATOM 1396 OG SER A 84 0.316 -1.362 4.538 1.00 0.00 O ATOM 0 H SER A 84 3.466 -0.004 5.486 1.00 0.00 H new ATOM 0 HA SER A 84 2.383 -1.411 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.147 0.408 5.182 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.513 0.432 3.548 1.00 0.00 H new ATOM 0 HG SER A 84 -0.569 -1.124 4.886 1.00 0.00 H new ATOM 1402 N LEU A 85 3.015 0.394 1.550 1.00 0.00 N ATOM 1403 CA LEU A 85 3.480 1.406 0.608 1.00 0.00 C ATOM 1404 C LEU A 85 2.407 1.718 -0.429 1.00 0.00 C ATOM 1405 O LEU A 85 1.570 0.872 -0.745 1.00 0.00 O ATOM 1406 CB LEU A 85 4.757 0.934 -0.088 1.00 0.00 C ATOM 1407 CG LEU A 85 5.897 0.491 0.828 1.00 0.00 C ATOM 1408 CD1 LEU A 85 7.086 0.012 0.009 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.308 1.626 1.755 1.00 0.00 C ATOM 0 H LEU A 85 2.754 -0.494 1.121 1.00 0.00 H new ATOM 0 HA LEU A 85 3.694 2.317 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.502 0.103 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.121 1.742 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 85 5.544 -0.341 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.888 -0.299 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.784 -0.831 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.440 0.823 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.121 1.293 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.641 2.478 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.456 1.922 2.368 1.00 0.00 H new ATOM 1421 N SER A 86 2.436 2.938 -0.957 1.00 0.00 N ATOM 1422 CA SER A 86 1.465 3.361 -1.958 1.00 0.00 C ATOM 1423 C SER A 86 2.166 3.905 -3.200 1.00 0.00 C ATOM 1424 O SER A 86 3.261 4.460 -3.115 1.00 0.00 O ATOM 1425 CB SER A 86 0.535 4.428 -1.377 1.00 0.00 C ATOM 1426 OG SER A 86 -0.598 3.837 -0.762 1.00 0.00 O ATOM 0 H SER A 86 3.122 3.650 -0.708 1.00 0.00 H new ATOM 0 HA SER A 86 0.875 2.491 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.077 5.029 -0.647 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.212 5.104 -2.169 1.00 0.00 H new ATOM 0 HG SER A 86 -1.362 3.881 -1.374 1.00 0.00 H new ATOM 1432 N MET A 87 1.526 3.740 -4.353 1.00 0.00 N ATOM 1433 CA MET A 87 2.087 4.215 -5.612 1.00 0.00 C ATOM 1434 C MET A 87 1.120 5.162 -6.315 1.00 0.00 C ATOM 1435 O MET A 87 1.537 6.058 -7.050 1.00 0.00 O ATOM 1436 CB MET A 87 2.416 3.033 -6.525 1.00 0.00 C ATOM 1437 CG MET A 87 3.505 2.124 -5.977 1.00 0.00 C ATOM 1438 SD MET A 87 3.567 0.529 -6.815 1.00 0.00 S ATOM 1439 CE MET A 87 3.996 1.037 -8.479 1.00 0.00 C ATOM 0 H MET A 87 0.619 3.281 -4.441 1.00 0.00 H new ATOM 0 HA MET A 87 3.004 4.760 -5.390 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.512 2.446 -6.686 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.727 3.412 -7.498 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.471 2.620 -6.077 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.337 1.964 -4.912 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.446 0.199 -9.011 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.097 1.359 -9.004 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.706 1.863 -8.436 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.172 4.958 -6.087 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.200 5.794 -6.698 1.00 0.00 C ATOM 1451 C LYS A 88 -1.088 7.235 -6.212 1.00 0.00 C ATOM 1452 O LYS A 88 -1.731 8.134 -6.751 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.591 5.243 -6.378 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.990 5.406 -4.922 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.475 5.158 -4.719 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.834 5.095 -3.243 1.00 0.00 C ATOM 1457 NZ LYS A 88 -4.277 6.252 -2.487 1.00 0.00 N ATOM 0 H LYS A 88 -0.534 4.220 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.050 5.780 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.326 5.747 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.622 4.185 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.417 4.712 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.739 6.412 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.046 5.952 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.758 4.224 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.918 5.078 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.455 4.166 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.800 6.368 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.272 6.080 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.370 7.117 -3.058 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.265 7.448 -5.189 1.00 0.00 N ATOM 1472 CA VAL A 89 -0.067 8.781 -4.632 1.00 0.00 C ATOM 1473 C VAL A 89 1.342 9.291 -4.914 1.00 0.00 C ATOM 1474 O VAL A 89 1.785 10.279 -4.330 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.311 8.795 -3.111 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.775 8.523 -2.803 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.585 7.780 -2.418 1.00 0.00 C ATOM 0 H VAL A 89 0.275 6.715 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.791 9.437 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.062 9.785 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.928 8.537 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.393 9.291 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.054 7.546 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.399 7.804 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.370 6.783 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.629 8.025 -2.611 1.00 0.00 H new ATOM 1487 N VAL A 90 2.043 8.608 -5.814 1.00 0.00 N ATOM 1488 CA VAL A 90 3.402 8.993 -6.175 1.00 0.00 C ATOM 1489 C VAL A 90 3.622 8.883 -7.680 1.00 0.00 C ATOM 1490 O VAL A 90 3.294 7.868 -8.294 1.00 0.00 O ATOM 1491 CB VAL A 90 4.444 8.119 -5.451 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.855 8.570 -5.800 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.219 8.160 -3.947 1.00 0.00 C ATOM 0 H VAL A 90 1.692 7.786 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 90 3.530 10.030 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 90 4.325 7.089 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.577 7.941 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.009 8.485 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.991 9.608 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.963 7.537 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.311 9.187 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.221 7.785 -3.718 1.00 0.00 H new ATOM 1503 N ASN A 91 4.180 9.936 -8.269 1.00 0.00 N ATOM 1504 CA ASN A 91 4.444 9.958 -9.702 1.00 0.00 C ATOM 1505 C ASN A 91 5.441 8.870 -10.089 1.00 0.00 C ATOM 1506 O ASN A 91 6.083 8.270 -9.229 1.00 0.00 O ATOM 1507 CB ASN A 91 4.981 11.329 -10.122 1.00 0.00 C ATOM 1508 CG ASN A 91 4.764 11.608 -11.597 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.710 11.605 -12.386 1.00 0.00 O ATOM 1510 ND2 ASN A 91 3.515 11.851 -11.976 1.00 0.00 N ATOM 0 H ASN A 91 4.458 10.784 -7.776 1.00 0.00 H new ATOM 0 HA ASN A 91 3.505 9.767 -10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.491 12.104 -9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.046 11.383 -9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.308 12.046 -12.956 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.762 11.843 -11.288 1.00 0.00 H new ATOM 1517 N GLN A 92 5.564 8.624 -11.391 1.00 0.00 N ATOM 1518 CA GLN A 92 6.482 7.608 -11.890 1.00 0.00 C ATOM 1519 C GLN A 92 7.546 8.231 -12.788 1.00 0.00 C ATOM 1520 O GLN A 92 8.536 7.586 -13.135 1.00 0.00 O ATOM 1521 CB GLN A 92 5.714 6.531 -12.660 1.00 0.00 C ATOM 1522 CG GLN A 92 4.613 5.871 -11.848 1.00 0.00 C ATOM 1523 CD GLN A 92 5.093 5.395 -10.491 1.00 0.00 C ATOM 1524 OE1 GLN A 92 6.188 4.848 -10.365 1.00 0.00 O ATOM 1525 NE2 GLN A 92 4.274 5.603 -9.467 1.00 0.00 N ATOM 0 H GLN A 92 5.040 9.114 -12.117 1.00 0.00 H new ATOM 0 HA GLN A 92 6.978 7.149 -11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.277 6.977 -13.554 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.415 5.766 -12.995 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.794 6.577 -11.712 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.214 5.024 -12.406 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.375 6.061 -9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.544 5.305 -8.529 1.00 0.00 H new ATOM 1534 N GLY A 93 7.335 9.489 -13.164 1.00 0.00 N ATOM 1535 CA GLY A 93 8.284 10.177 -14.018 1.00 0.00 C ATOM 1536 C GLY A 93 9.334 10.933 -13.228 1.00 0.00 C ATOM 1537 O GLY A 93 10.487 11.033 -13.649 1.00 0.00 O ATOM 0 H GLY A 93 6.523 10.043 -12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.775 9.452 -14.668 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.749 10.873 -14.664 1.00 0.00 H new ATOM 1541 N THR A 94 8.936 11.468 -12.078 1.00 0.00 N ATOM 1542 CA THR A 94 9.850 12.220 -11.228 1.00 0.00 C ATOM 1543 C THR A 94 9.860 11.668 -9.807 1.00 0.00 C ATOM 1544 O THR A 94 10.881 11.710 -9.122 1.00 0.00 O ATOM 1545 CB THR A 94 9.474 13.713 -11.184 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.492 13.942 -10.168 1.00 0.00 O ATOM 1547 CG2 THR A 94 8.937 14.177 -12.529 1.00 0.00 C ATOM 0 H THR A 94 7.986 11.394 -11.714 1.00 0.00 H new ATOM 0 HA THR A 94 10.844 12.115 -11.662 1.00 0.00 H new ATOM 0 HB THR A 94 10.374 14.284 -10.954 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.031 14.789 -10.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.679 15.234 -12.472 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.698 14.030 -13.295 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.049 13.600 -12.785 1.00 0.00 H new ATOM 1555 N GLY A 95 8.716 11.151 -9.370 1.00 0.00 N ATOM 1556 CA GLY A 95 8.616 10.598 -8.031 1.00 0.00 C ATOM 1557 C GLY A 95 8.157 11.622 -7.013 1.00 0.00 C ATOM 1558 O GLY A 95 8.290 11.413 -5.807 1.00 0.00 O ATOM 0 H GLY A 95 7.857 11.105 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.919 9.760 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.586 10.202 -7.731 1.00 0.00 H new ATOM 1562 N LYS A 96 7.617 12.736 -7.498 1.00 0.00 N ATOM 1563 CA LYS A 96 7.138 13.798 -6.622 1.00 0.00 C ATOM 1564 C LYS A 96 5.804 13.419 -5.987 1.00 0.00 C ATOM 1565 O LYS A 96 4.982 12.742 -6.605 1.00 0.00 O ATOM 1566 CB LYS A 96 6.989 15.104 -7.406 1.00 0.00 C ATOM 1567 CG LYS A 96 7.091 16.348 -6.539 1.00 0.00 C ATOM 1568 CD LYS A 96 7.229 17.605 -7.382 1.00 0.00 C ATOM 1569 CE LYS A 96 8.629 17.735 -7.962 1.00 0.00 C ATOM 1570 NZ LYS A 96 8.982 19.154 -8.246 1.00 0.00 N ATOM 0 H LYS A 96 7.501 12.926 -8.493 1.00 0.00 H new ATOM 0 HA LYS A 96 7.871 13.939 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.758 15.145 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.026 15.104 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.205 16.427 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.949 16.259 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.499 17.584 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.004 18.480 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.352 17.314 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.697 17.153 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.943 19.200 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.307 19.549 -8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.942 19.705 -7.365 1.00 0.00 H new ATOM 1584 N ASP A 97 5.595 13.861 -4.752 1.00 0.00 N ATOM 1585 CA ASP A 97 4.360 13.571 -4.034 1.00 0.00 C ATOM 1586 C ASP A 97 3.152 14.124 -4.784 1.00 0.00 C ATOM 1587 O ASP A 97 3.148 15.280 -5.210 1.00 0.00 O ATOM 1588 CB ASP A 97 4.414 14.160 -2.624 1.00 0.00 C ATOM 1589 CG ASP A 97 3.362 13.566 -1.707 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.313 13.121 -2.218 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.589 13.545 -0.480 1.00 0.00 O ATOM 0 H ASP A 97 6.266 14.422 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 97 4.256 12.488 -3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.402 13.986 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.276 15.240 -2.679 1.00 0.00 H new ATOM 1596 N LEU A 98 2.130 13.291 -4.945 1.00 0.00 N ATOM 1597 CA LEU A 98 0.916 13.696 -5.645 1.00 0.00 C ATOM 1598 C LEU A 98 -0.238 13.890 -4.668 1.00 0.00 C ATOM 1599 O LEU A 98 -1.236 14.536 -4.989 1.00 0.00 O ATOM 1600 CB LEU A 98 0.538 12.651 -6.697 1.00 0.00 C ATOM 1601 CG LEU A 98 1.612 12.325 -7.736 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.170 11.165 -8.614 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.924 13.550 -8.583 1.00 0.00 C ATOM 0 H LEU A 98 2.118 12.331 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 98 1.112 14.647 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.267 11.729 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.353 12.998 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 98 2.521 12.030 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.947 10.947 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.999 10.285 -7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.248 11.430 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.690 13.299 -9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.020 13.876 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.285 14.354 -7.941 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.094 13.330 -3.472 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.123 13.444 -2.445 1.00 0.00 C ATOM 1617 C ASP A 99 -0.518 13.891 -1.117 1.00 0.00 C ATOM 1618 O ASP A 99 -0.346 13.101 -0.189 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.846 12.108 -2.266 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.038 12.214 -1.335 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -3.951 13.015 -1.629 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -3.057 11.499 -0.313 1.00 0.00 O ATOM 0 H ASP A 99 0.726 12.792 -3.190 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.842 14.197 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.179 11.746 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.147 11.370 -1.873 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.188 15.187 -1.024 1.00 0.00 N ATOM 1628 CA PRO A 100 0.403 15.769 0.185 1.00 0.00 C ATOM 1629 C PRO A 100 -0.590 15.839 1.340 1.00 0.00 C ATOM 1630 O PRO A 100 -0.246 16.265 2.441 1.00 0.00 O ATOM 1631 CB PRO A 100 0.806 17.177 -0.259 1.00 0.00 C ATOM 1632 CG PRO A 100 -0.106 17.492 -1.394 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.365 16.186 -2.091 1.00 0.00 C ATOM 0 HA PRO A 100 1.234 15.171 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.691 17.896 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.850 17.211 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.036 17.935 -1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.350 18.213 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.369 16.149 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.333 16.024 -2.913 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.823 15.415 1.080 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.867 15.430 2.098 1.00 0.00 C ATOM 1643 C ASN A 101 -2.869 14.128 2.895 1.00 0.00 C ATOM 1644 O ASN A 101 -3.031 14.134 4.114 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.236 15.648 1.453 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.331 16.979 0.733 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.549 17.895 0.993 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.290 17.092 -0.178 1.00 0.00 N ATOM 0 H ASN A 101 -2.123 15.057 0.173 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.660 16.254 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.435 14.841 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.008 15.597 2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.402 17.964 -0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.915 16.307 -0.361 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.686 13.013 2.194 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.666 11.702 2.835 1.00 0.00 C ATOM 1657 C ASN A 102 -4.022 11.382 3.459 1.00 0.00 C ATOM 1658 O ASN A 102 -4.098 10.879 4.580 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.575 11.652 3.906 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.297 12.336 3.461 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.434 11.822 2.612 1.00 0.00 O ATOM 1662 ND2 ASN A 102 -0.019 13.501 4.034 1.00 0.00 N ATOM 0 H ASN A 102 -2.550 12.991 1.183 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.451 10.954 2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.941 12.128 4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.360 10.613 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.828 14.007 3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.653 13.890 4.732 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.090 11.676 2.724 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.442 11.418 3.204 1.00 0.00 C ATOM 1671 C VAL A 103 -7.024 10.165 2.558 1.00 0.00 C ATOM 1672 O VAL A 103 -7.742 9.400 3.203 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.376 12.610 2.919 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -8.764 12.348 3.483 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -6.792 13.892 3.492 1.00 0.00 C ATOM 0 H VAL A 103 -5.045 12.093 1.794 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.373 11.270 4.282 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.466 12.729 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.409 13.201 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.182 11.454 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.697 12.202 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.464 14.724 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.671 13.787 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.821 14.086 3.035 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.708 9.961 1.284 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.199 8.800 0.553 1.00 0.00 C ATOM 1687 C ILE A 104 -6.701 7.503 1.182 1.00 0.00 C ATOM 1688 O ILE A 104 -7.451 6.535 1.307 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.765 8.840 -0.925 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.287 10.112 -1.598 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.263 7.603 -1.657 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.381 11.309 -1.413 1.00 0.00 C ATOM 0 H ILE A 104 -6.114 10.584 0.737 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.287 8.832 0.605 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.676 8.849 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.413 9.924 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.273 10.347 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.948 7.646 -2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.847 6.711 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.351 7.564 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.813 12.174 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.274 11.524 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.401 11.093 -1.840 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.433 7.493 1.579 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.836 6.317 2.198 1.00 0.00 C ATOM 1706 C ILE A 105 -5.612 5.897 3.442 1.00 0.00 C ATOM 1707 O ILE A 105 -5.513 4.755 3.891 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.367 6.568 2.583 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.277 7.654 3.656 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.556 6.959 1.356 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.408 7.124 5.066 1.00 0.00 C ATOM 0 H ILE A 105 -4.799 8.287 1.483 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.877 5.516 1.460 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.951 5.646 2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.323 8.171 3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.059 8.392 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.520 7.133 1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.598 6.155 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.969 7.869 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.335 7.950 5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.374 6.632 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.610 6.407 5.261 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.384 6.828 3.993 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.178 6.554 5.185 1.00 0.00 C ATOM 1725 C GLU A 106 -8.589 6.109 4.809 1.00 0.00 C ATOM 1726 O GLU A 106 -9.317 6.830 4.126 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.244 7.795 6.078 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.090 7.604 7.325 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.634 8.475 8.479 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -7.738 9.714 8.364 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -7.173 7.918 9.497 1.00 0.00 O ATOM 0 H GLU A 106 -6.477 7.778 3.633 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.695 5.746 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.233 8.073 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.647 8.627 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.130 7.832 7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.053 6.558 7.628 1.00 0.00 H new