USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 hydrogens (8 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 NoAdj-H: A 363 PTR HN2 : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 363 PTR H : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 390 HIS HD1 : A 390 HIS ND1 : A1388 ZNZN :(H bumps) USER MOD Set 1.1: A 368 SER OG : rot -137:sc= 0.583 USER MOD Set 1.2: A 374 LYS NZ :NH3+ 154:sc= -0.652 (180deg=-3.3!) USER MOD Single : A 347 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.021) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -79:sc= 0.0237 USER MOD Single : A 352 HIS : no HE2:sc= -2.37! C(o=-2.4!,f=-3.2!) USER MOD Single : A 354 LYS NZ :NH3+ 151:sc= -0.166 (180deg=-1.18) USER MOD Single : A 356 THR OG1 : rot -160:sc= -1.67 USER MOD Single : A 357 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.085) USER MOD Single : A 359 GLN : amide:sc=-0.00883 X(o=-0.0088,f=0.072) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 70:sc= 0.167 USER MOD Single : A 366 MET CE :methyl -162:sc= -0.659 (180deg=-1.09) USER MOD Single : A 369 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 371 GLN :FLIP amide:sc= -4.13! C(o=-6.4!,f=-4.1!) USER MOD Single : A 379 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 381 LYS NZ :NH3+ -108:sc= -0.106 (180deg=-2.1!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 MET CE :methyl 152:sc= -4.42 (180deg=-7.94!) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.6!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.998 K(o=-1,f=-6.9!) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 44:sc= 0.0578 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 8.695 5.812 -3.366 1.00 42.11 N ATOM 2 CA GLY A 345 8.121 4.533 -3.746 1.00 33.43 C ATOM 3 C GLY A 345 6.649 4.686 -4.136 1.00 43.42 C ATOM 4 O GLY A 345 6.150 5.803 -4.260 1.00 13.52 O ATOM 0 HA2 GLY A 345 8.681 4.113 -4.582 1.00 33.43 H new ATOM 0 HA3 GLY A 345 8.210 3.830 -2.918 1.00 33.43 H new ATOM 8 N PRO A 346 5.979 3.518 -4.324 1.00 65.14 N ATOM 9 CA PRO A 346 4.575 3.512 -4.698 1.00 65.13 C ATOM 10 C PRO A 346 3.688 3.868 -3.504 1.00 3.23 C ATOM 11 O PRO A 346 4.186 4.089 -2.401 1.00 33.35 O ATOM 12 CB PRO A 346 4.317 2.113 -5.234 1.00 51.20 C ATOM 13 CG PRO A 346 5.454 1.250 -4.712 1.00 42.23 C ATOM 14 CD PRO A 346 6.539 2.176 -4.187 1.00 11.32 C ATOM 0 HA PRO A 346 4.337 4.263 -5.451 1.00 65.13 H new ATOM 0 HB2 PRO A 346 3.353 1.736 -4.893 1.00 51.20 H new ATOM 0 HB3 PRO A 346 4.293 2.111 -6.324 1.00 51.20 H new ATOM 0 HG2 PRO A 346 5.100 0.590 -3.920 1.00 42.23 H new ATOM 0 HG3 PRO A 346 5.846 0.614 -5.506 1.00 42.23 H new ATOM 0 HD2 PRO A 346 6.782 1.952 -3.148 1.00 11.32 H new ATOM 0 HD3 PRO A 346 7.461 2.071 -4.760 1.00 11.32 H new ATOM 22 N HIS A 347 2.390 3.913 -3.764 1.00 41.21 N ATOM 23 CA HIS A 347 1.429 4.239 -2.724 1.00 70.30 C ATOM 24 C HIS A 347 1.687 5.657 -2.212 1.00 45.11 C ATOM 25 O HIS A 347 1.351 5.981 -1.074 1.00 41.42 O ATOM 26 CB HIS A 347 1.459 3.191 -1.609 1.00 43.23 C ATOM 27 CG HIS A 347 0.588 1.987 -1.874 1.00 73.13 C ATOM 28 ND1 HIS A 347 0.985 0.694 -1.579 1.00 12.43 N ATOM 29 CD2 HIS A 347 -0.664 1.893 -2.409 1.00 65.40 C ATOM 30 CE1 HIS A 347 0.009 -0.132 -1.925 1.00 22.30 C ATOM 31 NE2 HIS A 347 -1.011 0.612 -2.440 1.00 13.12 N ATOM 0 H HIS A 347 1.981 3.729 -4.680 1.00 41.21 H new ATOM 0 HA HIS A 347 0.420 4.218 -3.137 1.00 70.30 H new ATOM 0 HB2 HIS A 347 2.487 2.858 -1.465 1.00 43.23 H new ATOM 0 HB3 HIS A 347 1.141 3.658 -0.677 1.00 43.23 H new ATOM 0 HD2 HIS A 347 -1.269 2.720 -2.749 1.00 65.40 H new ATOM 0 HE1 HIS A 347 0.019 -1.207 -1.818 1.00 22.30 H new ATOM 0 HE2 HIS A 347 -1.895 0.245 -2.791 1.00 13.12 H new ATOM 39 N MET A 348 2.283 6.465 -3.077 1.00 72.34 N ATOM 40 CA MET A 348 2.590 7.841 -2.727 1.00 64.03 C ATOM 41 C MET A 348 1.438 8.774 -3.105 1.00 34.55 C ATOM 42 O MET A 348 1.616 9.988 -3.180 1.00 2.22 O ATOM 43 CB MET A 348 3.862 8.281 -3.455 1.00 63.01 C ATOM 44 CG MET A 348 3.613 8.423 -4.958 1.00 14.21 C ATOM 45 SD MET A 348 5.055 9.111 -5.754 1.00 14.11 S ATOM 46 CE MET A 348 4.595 10.836 -5.791 1.00 62.40 C ATOM 0 H MET A 348 2.561 6.193 -4.020 1.00 72.34 H new ATOM 0 HA MET A 348 2.739 7.897 -1.649 1.00 64.03 H new ATOM 0 HB2 MET A 348 4.207 9.232 -3.049 1.00 63.01 H new ATOM 0 HB3 MET A 348 4.655 7.553 -3.281 1.00 63.01 H new ATOM 0 HG2 MET A 348 3.379 7.450 -5.390 1.00 14.21 H new ATOM 0 HG3 MET A 348 2.750 9.065 -5.133 1.00 14.21 H new ATOM 0 HE1 MET A 348 5.391 11.415 -6.260 1.00 62.40 H new ATOM 0 HE2 MET A 348 3.675 10.955 -6.363 1.00 62.40 H new ATOM 0 HE3 MET A 348 4.439 11.193 -4.773 1.00 62.40 H new ATOM 56 N GLY A 349 0.280 8.170 -3.332 1.00 23.33 N ATOM 57 CA GLY A 349 -0.902 8.931 -3.699 1.00 65.12 C ATOM 58 C GLY A 349 -1.601 9.490 -2.459 1.00 11.42 C ATOM 59 O GLY A 349 -2.695 9.051 -2.107 1.00 64.41 O ATOM 0 H GLY A 349 0.136 7.162 -3.269 1.00 23.33 H new ATOM 0 HA2 GLY A 349 -0.621 9.749 -4.362 1.00 65.12 H new ATOM 0 HA3 GLY A 349 -1.591 8.294 -4.253 1.00 65.12 H new ATOM 63 N SER A 350 -0.942 10.452 -1.830 1.00 45.20 N ATOM 64 CA SER A 350 -1.486 11.076 -0.636 1.00 54.43 C ATOM 65 C SER A 350 -2.939 11.491 -0.879 1.00 41.44 C ATOM 66 O SER A 350 -3.298 11.886 -1.988 1.00 13.35 O ATOM 67 CB SER A 350 -0.651 12.288 -0.218 1.00 70.02 C ATOM 68 OG SER A 350 0.733 11.969 -0.105 1.00 62.25 O ATOM 0 H SER A 350 -0.036 10.815 -2.125 1.00 45.20 H new ATOM 0 HA SER A 350 -1.453 10.349 0.175 1.00 54.43 H new ATOM 0 HB2 SER A 350 -0.781 13.087 -0.948 1.00 70.02 H new ATOM 0 HB3 SER A 350 -1.015 12.667 0.737 1.00 70.02 H new ATOM 0 HG SER A 350 0.895 11.512 0.747 1.00 62.25 H new ATOM 74 N ASP A 351 -3.735 11.388 0.175 1.00 63.22 N ATOM 75 CA ASP A 351 -5.140 11.747 0.090 1.00 41.51 C ATOM 76 C ASP A 351 -5.338 13.151 0.666 1.00 34.11 C ATOM 77 O ASP A 351 -4.431 13.707 1.282 1.00 24.13 O ATOM 78 CB ASP A 351 -6.006 10.778 0.897 1.00 52.33 C ATOM 79 CG ASP A 351 -7.466 10.688 0.447 1.00 22.20 C ATOM 80 OD1 ASP A 351 -8.320 10.135 1.157 1.00 44.35 O ATOM 81 OD2 ASP A 351 -7.717 11.222 -0.700 1.00 60.21 O ATOM 0 H ASP A 351 -3.433 11.061 1.093 1.00 63.22 H new ATOM 0 HA ASP A 351 -5.436 11.707 -0.958 1.00 41.51 H new ATOM 0 HB2 ASP A 351 -5.562 9.784 0.841 1.00 52.33 H new ATOM 0 HB3 ASP A 351 -5.982 11.079 1.944 1.00 52.33 H new ATOM 87 N HIS A 352 -6.531 13.683 0.445 1.00 14.32 N ATOM 88 CA HIS A 352 -6.861 15.011 0.935 1.00 44.11 C ATOM 89 C HIS A 352 -8.264 15.000 1.544 1.00 51.22 C ATOM 90 O HIS A 352 -9.226 14.604 0.888 1.00 33.31 O ATOM 91 CB HIS A 352 -6.703 16.053 -0.174 1.00 55.41 C ATOM 92 CG HIS A 352 -5.283 16.523 -0.378 1.00 40.53 C ATOM 93 ND1 HIS A 352 -4.523 17.076 0.638 1.00 64.42 N ATOM 94 CD2 HIS A 352 -4.493 16.517 -1.490 1.00 53.14 C ATOM 95 CE1 HIS A 352 -3.331 17.385 0.148 1.00 72.22 C ATOM 96 NE2 HIS A 352 -3.315 17.038 -1.171 1.00 51.54 N ATOM 0 H HIS A 352 -7.281 13.219 -0.067 1.00 14.32 H new ATOM 0 HA HIS A 352 -6.164 15.296 1.723 1.00 44.11 H new ATOM 0 HB2 HIS A 352 -7.073 15.632 -1.109 1.00 55.41 H new ATOM 0 HB3 HIS A 352 -7.330 16.914 0.059 1.00 55.41 H new ATOM 0 HD1 HIS A 352 -4.828 17.221 1.600 1.00 64.42 H new ATOM 0 HD2 HIS A 352 -4.778 16.150 -2.465 1.00 53.14 H new ATOM 0 HE1 HIS A 352 -2.516 17.833 0.697 1.00 72.22 H new ATOM 104 N ILE A 353 -8.336 15.440 2.791 1.00 14.53 N ATOM 105 CA ILE A 353 -9.606 15.486 3.496 1.00 12.44 C ATOM 106 C ILE A 353 -10.084 16.937 3.584 1.00 4.42 C ATOM 107 O ILE A 353 -9.272 17.860 3.631 1.00 45.14 O ATOM 108 CB ILE A 353 -9.490 14.794 4.856 1.00 44.03 C ATOM 109 CG1 ILE A 353 -8.789 13.440 4.723 1.00 14.02 C ATOM 110 CG2 ILE A 353 -10.859 14.668 5.526 1.00 32.10 C ATOM 111 CD1 ILE A 353 -8.889 12.642 6.025 1.00 64.34 C ATOM 0 H ILE A 353 -7.536 15.768 3.332 1.00 14.53 H new ATOM 0 HA ILE A 353 -10.366 14.932 2.946 1.00 12.44 H new ATOM 0 HB ILE A 353 -8.871 15.415 5.504 1.00 44.03 H new ATOM 0 HG12 ILE A 353 -9.238 12.872 3.908 1.00 14.02 H new ATOM 0 HG13 ILE A 353 -7.741 13.593 4.465 1.00 14.02 H new ATOM 0 HG21 ILE A 353 -10.748 14.173 6.491 1.00 32.10 H new ATOM 0 HG22 ILE A 353 -11.284 15.661 5.675 1.00 32.10 H new ATOM 0 HG23 ILE A 353 -11.522 14.081 4.891 1.00 32.10 H new ATOM 0 HD11 ILE A 353 -8.383 11.684 5.904 1.00 64.34 H new ATOM 0 HD12 ILE A 353 -8.417 13.202 6.832 1.00 64.34 H new ATOM 0 HD13 ILE A 353 -9.938 12.471 6.267 1.00 64.34 H new ATOM 123 N LYS A 354 -11.399 17.094 3.604 1.00 31.33 N ATOM 124 CA LYS A 354 -11.994 18.417 3.686 1.00 73.33 C ATOM 125 C LYS A 354 -12.914 18.483 4.907 1.00 51.14 C ATOM 126 O LYS A 354 -13.839 17.683 5.036 1.00 72.25 O ATOM 127 CB LYS A 354 -12.691 18.773 2.371 1.00 60.32 C ATOM 128 CG LYS A 354 -13.121 20.241 2.358 1.00 33.13 C ATOM 129 CD LYS A 354 -11.909 21.168 2.468 1.00 54.43 C ATOM 130 CE LYS A 354 -12.063 22.381 1.548 1.00 44.41 C ATOM 131 NZ LYS A 354 -13.444 22.909 1.611 1.00 31.51 N ATOM 0 H LYS A 354 -12.070 16.327 3.565 1.00 31.33 H new ATOM 0 HA LYS A 354 -11.222 19.174 3.826 1.00 73.33 H new ATOM 0 HB2 LYS A 354 -12.019 18.580 1.535 1.00 60.32 H new ATOM 0 HB3 LYS A 354 -13.563 18.134 2.233 1.00 60.32 H new ATOM 0 HG2 LYS A 354 -13.666 20.456 1.439 1.00 33.13 H new ATOM 0 HG3 LYS A 354 -13.805 20.431 3.185 1.00 33.13 H new ATOM 0 HD2 LYS A 354 -11.794 21.501 3.499 1.00 54.43 H new ATOM 0 HD3 LYS A 354 -11.003 20.621 2.207 1.00 54.43 H new ATOM 0 HE2 LYS A 354 -11.357 23.158 1.840 1.00 44.41 H new ATOM 0 HE3 LYS A 354 -11.821 22.100 0.523 1.00 44.41 H new ATOM 0 HZ1 LYS A 354 -13.434 23.931 1.419 1.00 31.51 H new ATOM 0 HZ2 LYS A 354 -14.032 22.429 0.900 1.00 31.51 H new ATOM 0 HZ3 LYS A 354 -13.838 22.739 2.558 1.00 31.51 H new ATOM 144 N VAL A 355 -12.628 19.445 5.772 1.00 62.13 N ATOM 145 CA VAL A 355 -13.418 19.626 6.978 1.00 43.23 C ATOM 146 C VAL A 355 -14.706 20.375 6.631 1.00 42.44 C ATOM 147 O VAL A 355 -14.724 21.195 5.713 1.00 23.43 O ATOM 148 CB VAL A 355 -12.584 20.334 8.048 1.00 52.23 C ATOM 149 CG1 VAL A 355 -13.457 20.762 9.229 1.00 74.01 C ATOM 150 CG2 VAL A 355 -11.426 19.450 8.514 1.00 44.31 C ATOM 0 H VAL A 355 -11.860 20.107 5.662 1.00 62.13 H new ATOM 0 HA VAL A 355 -13.706 18.661 7.395 1.00 43.23 H new ATOM 0 HB VAL A 355 -12.160 21.234 7.602 1.00 52.23 H new ATOM 0 HG11 VAL A 355 -12.840 21.263 9.975 1.00 74.01 H new ATOM 0 HG12 VAL A 355 -14.231 21.446 8.880 1.00 74.01 H new ATOM 0 HG13 VAL A 355 -13.923 19.883 9.674 1.00 74.01 H new ATOM 0 HG21 VAL A 355 -10.849 19.977 9.274 1.00 44.31 H new ATOM 0 HG22 VAL A 355 -11.821 18.525 8.934 1.00 44.31 H new ATOM 0 HG23 VAL A 355 -10.782 19.217 7.666 1.00 44.31 H new ATOM 160 N THR A 356 -15.752 20.068 7.383 1.00 74.35 N ATOM 161 CA THR A 356 -17.042 20.702 7.166 1.00 62.31 C ATOM 162 C THR A 356 -17.418 21.570 8.368 1.00 3.11 C ATOM 163 O THR A 356 -16.652 21.677 9.325 1.00 41.33 O ATOM 164 CB THR A 356 -18.064 19.604 6.866 1.00 31.30 C ATOM 165 OG1 THR A 356 -17.936 18.701 7.961 1.00 3.33 O ATOM 166 CG2 THR A 356 -17.681 18.765 5.645 1.00 32.32 C ATOM 0 H THR A 356 -15.733 19.389 8.144 1.00 74.35 H new ATOM 0 HA THR A 356 -17.011 21.379 6.313 1.00 62.31 H new ATOM 0 HB THR A 356 -19.043 20.055 6.704 1.00 31.30 H new ATOM 0 HG1 THR A 356 -18.306 17.829 7.711 1.00 3.33 H new ATOM 0 HG21 THR A 356 -18.440 18.001 5.476 1.00 32.32 H new ATOM 0 HG22 THR A 356 -17.613 19.409 4.768 1.00 32.32 H new ATOM 0 HG23 THR A 356 -16.717 18.287 5.820 1.00 32.32 H new ATOM 174 N GLN A 357 -18.597 22.168 8.280 1.00 21.21 N ATOM 175 CA GLN A 357 -19.084 23.023 9.349 1.00 42.52 C ATOM 176 C GLN A 357 -19.501 22.180 10.556 1.00 42.34 C ATOM 177 O GLN A 357 -19.302 22.586 11.699 1.00 2.35 O ATOM 178 CB GLN A 357 -20.241 23.899 8.866 1.00 54.34 C ATOM 179 CG GLN A 357 -19.725 25.111 8.087 1.00 24.22 C ATOM 180 CD GLN A 357 -20.743 26.252 8.110 1.00 54.24 C ATOM 181 OE1 GLN A 357 -21.178 26.751 7.084 1.00 33.34 O ATOM 182 NE2 GLN A 357 -21.098 26.637 9.332 1.00 34.43 N ATOM 0 H GLN A 357 -19.229 22.077 7.485 1.00 21.21 H new ATOM 0 HA GLN A 357 -18.274 23.685 9.656 1.00 42.52 H new ATOM 0 HB2 GLN A 357 -20.906 23.312 8.233 1.00 54.34 H new ATOM 0 HB3 GLN A 357 -20.828 24.235 9.720 1.00 54.34 H new ATOM 0 HG2 GLN A 357 -18.783 25.451 8.518 1.00 24.22 H new ATOM 0 HG3 GLN A 357 -19.519 24.824 7.056 1.00 24.22 H new ATOM 0 HE21 GLN A 357 -20.696 26.177 10.149 1.00 34.43 H new ATOM 0 HE22 GLN A 357 -21.773 27.392 9.453 1.00 34.43 H new ATOM 191 N GLU A 358 -20.072 21.022 10.259 1.00 4.10 N ATOM 192 CA GLU A 358 -20.518 20.118 11.305 1.00 13.35 C ATOM 193 C GLU A 358 -19.365 19.800 12.260 1.00 75.23 C ATOM 194 O GLU A 358 -19.575 19.642 13.461 1.00 12.04 O ATOM 195 CB GLU A 358 -21.107 18.838 10.710 1.00 65.33 C ATOM 196 CG GLU A 358 -20.113 18.169 9.757 1.00 1.24 C ATOM 197 CD GLU A 358 -20.564 16.751 9.401 1.00 0.24 C ATOM 198 OE1 GLU A 358 -20.067 15.777 9.987 1.00 55.42 O ATOM 199 OE2 GLU A 358 -21.465 16.681 8.481 1.00 70.31 O ATOM 0 H GLU A 358 -20.236 20.689 9.309 1.00 4.10 H new ATOM 0 HA GLU A 358 -21.307 20.612 11.872 1.00 13.35 H new ATOM 0 HB2 GLU A 358 -21.369 18.147 11.511 1.00 65.33 H new ATOM 0 HB3 GLU A 358 -22.028 19.071 10.176 1.00 65.33 H new ATOM 0 HG2 GLU A 358 -20.019 18.763 8.848 1.00 1.24 H new ATOM 0 HG3 GLU A 358 -19.127 18.135 10.220 1.00 1.24 H new ATOM 207 N GLN A 359 -18.173 19.715 11.689 1.00 70.15 N ATOM 208 CA GLN A 359 -16.987 19.418 12.473 1.00 3.14 C ATOM 209 C GLN A 359 -16.496 20.677 13.191 1.00 52.32 C ATOM 210 O GLN A 359 -16.542 20.755 14.418 1.00 75.15 O ATOM 211 CB GLN A 359 -15.884 18.822 11.596 1.00 1.12 C ATOM 212 CG GLN A 359 -16.399 17.612 10.815 1.00 60.24 C ATOM 213 CD GLN A 359 -15.273 16.609 10.552 1.00 14.21 C ATOM 214 OE1 GLN A 359 -14.820 15.900 11.435 1.00 34.14 O ATOM 215 NE2 GLN A 359 -14.849 16.590 9.292 1.00 41.22 N ATOM 0 H GLN A 359 -18.003 19.847 10.692 1.00 70.15 H new ATOM 0 HA GLN A 359 -17.250 18.674 13.225 1.00 3.14 H new ATOM 0 HB2 GLN A 359 -15.518 19.578 10.902 1.00 1.12 H new ATOM 0 HB3 GLN A 359 -15.040 18.525 12.219 1.00 1.12 H new ATOM 0 HG2 GLN A 359 -17.199 17.127 11.374 1.00 60.24 H new ATOM 0 HG3 GLN A 359 -16.826 17.941 9.868 1.00 60.24 H new ATOM 0 HE21 GLN A 359 -15.272 17.211 8.602 1.00 41.22 H new ATOM 0 HE22 GLN A 359 -14.101 15.955 9.015 1.00 41.22 H new ATOM 224 N TYR A 360 -16.038 21.632 12.395 1.00 5.32 N ATOM 225 CA TYR A 360 -15.539 22.884 12.939 1.00 1.10 C ATOM 226 C TYR A 360 -16.383 23.339 14.131 1.00 13.01 C ATOM 227 O TYR A 360 -15.845 23.780 15.145 1.00 0.52 O ATOM 228 CB TYR A 360 -15.669 23.914 11.815 1.00 62.32 C ATOM 229 CG TYR A 360 -14.909 25.216 12.073 1.00 13.33 C ATOM 230 CD1 TYR A 360 -13.586 25.178 12.462 1.00 64.01 C ATOM 231 CD2 TYR A 360 -15.548 26.430 11.918 1.00 42.13 C ATOM 232 CE1 TYR A 360 -12.871 26.404 12.705 1.00 2.12 C ATOM 233 CE2 TYR A 360 -14.833 27.656 12.161 1.00 40.20 C ATOM 234 CZ TYR A 360 -13.530 27.583 12.543 1.00 63.32 C ATOM 235 OH TYR A 360 -12.855 28.741 12.772 1.00 24.35 O ATOM 0 H TYR A 360 -16.002 21.564 11.378 1.00 5.32 H new ATOM 0 HA TYR A 360 -14.512 22.770 13.285 1.00 1.10 H new ATOM 0 HB2 TYR A 360 -15.307 23.472 10.887 1.00 62.32 H new ATOM 0 HB3 TYR A 360 -16.724 24.144 11.668 1.00 62.32 H new ATOM 0 HD1 TYR A 360 -13.086 24.228 12.584 1.00 64.01 H new ATOM 0 HD2 TYR A 360 -16.584 26.460 11.615 1.00 42.13 H new ATOM 0 HE1 TYR A 360 -11.835 26.388 13.009 1.00 2.12 H new ATOM 0 HE2 TYR A 360 -15.321 28.612 12.042 1.00 40.20 H new ATOM 0 HH TYR A 360 -13.451 29.503 12.616 1.00 24.35 H new ATOM 245 N GLU A 361 -17.692 23.216 13.970 1.00 75.35 N ATOM 246 CA GLU A 361 -18.617 23.609 15.020 1.00 65.32 C ATOM 247 C GLU A 361 -18.376 22.773 16.279 1.00 71.25 C ATOM 248 O GLU A 361 -18.170 23.319 17.361 1.00 40.40 O ATOM 249 CB GLU A 361 -20.067 23.485 14.549 1.00 42.45 C ATOM 250 CG GLU A 361 -20.357 24.460 13.405 1.00 24.12 C ATOM 251 CD GLU A 361 -20.785 25.826 13.945 1.00 41.24 C ATOM 252 OE1 GLU A 361 -19.950 26.571 14.479 1.00 51.21 O ATOM 253 OE2 GLU A 361 -22.035 26.105 13.792 1.00 12.01 O ATOM 0 H GLU A 361 -18.135 22.849 13.127 1.00 75.35 H new ATOM 0 HA GLU A 361 -18.437 24.656 15.262 1.00 65.32 H new ATOM 0 HB2 GLU A 361 -20.260 22.464 14.219 1.00 42.45 H new ATOM 0 HB3 GLU A 361 -20.742 23.684 15.381 1.00 42.45 H new ATOM 0 HG2 GLU A 361 -19.468 24.573 12.784 1.00 24.12 H new ATOM 0 HG3 GLU A 361 -21.142 24.055 12.767 1.00 24.12 H new ATOM 261 N LEU A 362 -18.410 21.461 16.095 1.00 55.13 N ATOM 262 CA LEU A 362 -18.199 20.544 17.202 1.00 1.40 C ATOM 263 C LEU A 362 -16.862 20.863 17.874 1.00 2.20 C ATOM 264 O LEU A 362 -16.702 20.760 19.091 1.00 70.13 O ATOM 265 CB LEU A 362 -18.319 19.095 16.728 1.00 64.32 C ATOM 266 CG LEU A 362 -18.670 18.064 17.803 1.00 43.12 C ATOM 267 CD1 LEU A 362 -19.316 16.824 17.183 1.00 64.41 C ATOM 268 CD2 LEU A 362 -17.442 17.711 18.645 1.00 35.14 C ATOM 0 H LEU A 362 -18.581 21.011 15.195 1.00 55.13 H new ATOM 0 HA LEU A 362 -18.975 20.673 17.957 1.00 1.40 H new ATOM 0 HB2 LEU A 362 -19.079 19.051 15.948 1.00 64.32 H new ATOM 0 HB3 LEU A 362 -17.374 18.804 16.269 1.00 64.32 H new ATOM 0 HG LEU A 362 -19.405 18.507 18.475 1.00 43.12 H new ATOM 0 HD11 LEU A 362 -19.556 16.107 17.968 1.00 64.41 H new ATOM 0 HD12 LEU A 362 -20.230 17.111 16.663 1.00 64.41 H new ATOM 0 HD13 LEU A 362 -18.624 16.368 16.475 1.00 64.41 H new ATOM 0 HD21 LEU A 362 -17.718 16.977 19.402 1.00 35.14 H new ATOM 0 HD22 LEU A 362 -16.667 17.295 18.001 1.00 35.14 H new ATOM 0 HD23 LEU A 362 -17.065 18.610 19.133 1.00 35.14 H new HETATM 280 N PTR A 363 -15.898 21.256 17.048 1.00 44.31 N HETATM 281 CA PTR A 363 -14.566 21.595 17.535 1.00 41.31 C HETATM 282 C PTR A 363 -14.519 23.036 18.032 1.00 54.43 C HETATM 283 O PTR A 363 -13.597 23.392 18.764 1.00 60.53 O HETATM 284 CB PTR A 363 -13.529 21.391 16.428 1.00 0.43 C HETATM 285 CG PTR A 363 -13.199 19.939 16.167 1.00 40.00 C HETATM 286 CD1 PTR A 363 -11.901 19.465 16.312 1.00 51.01 C HETATM 287 CD2 PTR A 363 -14.186 19.043 15.776 1.00 23.31 C HETATM 288 CE1 PTR A 363 -11.596 18.139 16.074 1.00 73.13 C HETATM 289 CE2 PTR A 363 -13.888 17.715 15.537 1.00 74.12 C HETATM 290 CZ PTR A 363 -12.593 17.268 15.687 1.00 44.31 C HETATM 291 OH PTR A 363 -12.279 15.885 15.438 1.00 71.23 O HETATM 292 P PTR A 363 -11.244 15.088 16.410 1.00 25.24 P HETATM 293 O1P PTR A 363 -11.626 13.620 16.309 1.00 14.21 O HETATM 294 O2P PTR A 363 -11.458 15.661 17.802 1.00 32.53 O HETATM 295 O3P PTR A 363 -9.855 15.374 15.862 1.00 1.32 O HETATM 0 HE2 PTR A 363 -14.674 17.024 15.231 1.00 74.12 H new HETATM 0 HE1 PTR A 363 -10.573 17.783 16.191 1.00 73.13 H new HETATM 0 HD2 PTR A 363 -15.211 19.393 15.656 1.00 23.31 H new HETATM 0 HD1 PTR A 363 -11.111 20.150 16.618 1.00 51.01 H new HETATM 0 HB3 PTR A 363 -13.899 21.842 15.507 1.00 0.43 H new HETATM 0 HB2 PTR A 363 -12.615 21.920 16.696 1.00 0.43 H new HETATM 0 HA PTR A 363 -14.332 20.934 18.370 1.00 41.31 H new ATOM 304 N CYS A 364 -15.504 23.826 17.628 1.00 44.02 N ATOM 305 CA CYS A 364 -15.562 25.219 18.038 1.00 31.31 C ATOM 306 C CYS A 364 -15.936 25.267 19.521 1.00 43.30 C ATOM 307 O CYS A 364 -15.607 26.227 20.216 1.00 13.34 O ATOM 308 CB CYS A 364 -16.539 26.022 17.177 1.00 61.33 C ATOM 309 SG CYS A 364 -15.681 26.668 15.695 1.00 11.32 S ATOM 0 H CYS A 364 -16.268 23.528 17.021 1.00 44.02 H new ATOM 0 HA CYS A 364 -14.587 25.684 17.894 1.00 31.31 H new ATOM 0 HB2 CYS A 364 -17.376 25.391 16.877 1.00 61.33 H new ATOM 0 HB3 CYS A 364 -16.954 26.847 17.756 1.00 61.33 H new ATOM 0 HG CYS A 364 -15.396 25.684 14.895 1.00 11.32 H new ATOM 315 N GLU A 365 -16.617 24.220 19.961 1.00 14.03 N ATOM 316 CA GLU A 365 -17.039 24.131 21.349 1.00 53.21 C ATOM 317 C GLU A 365 -15.834 23.868 22.254 1.00 13.12 C ATOM 318 O GLU A 365 -15.914 24.048 23.468 1.00 15.34 O ATOM 319 CB GLU A 365 -18.107 23.050 21.529 1.00 0.43 C ATOM 320 CG GLU A 365 -19.426 23.468 20.875 1.00 64.41 C ATOM 321 CD GLU A 365 -20.584 22.602 21.375 1.00 22.01 C ATOM 322 OE1 GLU A 365 -20.355 21.605 22.076 1.00 61.34 O ATOM 323 OE2 GLU A 365 -21.757 22.998 21.012 1.00 3.13 O ATOM 0 H GLU A 365 -16.887 23.426 19.381 1.00 14.03 H new ATOM 0 HA GLU A 365 -17.483 25.084 21.636 1.00 53.21 H new ATOM 0 HB2 GLU A 365 -17.760 22.114 21.091 1.00 0.43 H new ATOM 0 HB3 GLU A 365 -18.266 22.864 22.591 1.00 0.43 H new ATOM 0 HG2 GLU A 365 -19.629 24.516 21.095 1.00 64.41 H new ATOM 0 HG3 GLU A 365 -19.343 23.380 19.792 1.00 64.41 H new ATOM 331 N MET A 366 -14.745 23.446 21.629 1.00 74.14 N ATOM 332 CA MET A 366 -13.525 23.156 22.363 1.00 53.14 C ATOM 333 C MET A 366 -12.335 23.912 21.768 1.00 12.03 C ATOM 334 O MET A 366 -11.205 23.757 22.228 1.00 43.03 O ATOM 335 CB MET A 366 -13.248 21.652 22.319 1.00 13.12 C ATOM 336 CG MET A 366 -13.619 21.066 20.955 1.00 24.44 C ATOM 337 SD MET A 366 -13.136 19.349 20.878 1.00 72.21 S ATOM 338 CE MET A 366 -14.610 18.645 20.158 1.00 60.14 C ATOM 0 H MET A 366 -14.682 23.298 20.622 1.00 74.14 H new ATOM 0 HA MET A 366 -13.658 23.480 23.395 1.00 53.14 H new ATOM 0 HB2 MET A 366 -12.194 21.467 22.524 1.00 13.12 H new ATOM 0 HB3 MET A 366 -13.818 21.151 23.101 1.00 13.12 H new ATOM 0 HG2 MET A 366 -14.692 21.158 20.790 1.00 24.44 H new ATOM 0 HG3 MET A 366 -13.125 21.627 20.162 1.00 24.44 H new ATOM 0 HE1 MET A 366 -14.620 17.568 20.328 1.00 60.14 H new ATOM 0 HE2 MET A 366 -15.490 19.093 20.619 1.00 60.14 H new ATOM 0 HE3 MET A 366 -14.622 18.843 19.086 1.00 60.14 H new ATOM 348 N GLY A 367 -12.630 24.714 20.756 1.00 72.34 N ATOM 349 CA GLY A 367 -11.599 25.494 20.094 1.00 44.03 C ATOM 350 C GLY A 367 -10.416 24.611 19.692 1.00 25.44 C ATOM 351 O GLY A 367 -9.286 24.850 20.116 1.00 43.13 O ATOM 0 H GLY A 367 -13.569 24.840 20.378 1.00 72.34 H new ATOM 0 HA2 GLY A 367 -12.015 25.976 19.209 1.00 44.03 H new ATOM 0 HA3 GLY A 367 -11.256 26.288 20.758 1.00 44.03 H new ATOM 355 N SER A 368 -10.716 23.608 18.880 1.00 23.34 N ATOM 356 CA SER A 368 -9.691 22.687 18.417 1.00 11.32 C ATOM 357 C SER A 368 -9.759 22.552 16.895 1.00 43.34 C ATOM 358 O SER A 368 -10.621 23.149 16.253 1.00 54.35 O ATOM 359 CB SER A 368 -9.843 21.316 19.079 1.00 44.21 C ATOM 360 OG SER A 368 -11.097 20.712 18.775 1.00 51.41 O ATOM 0 H SER A 368 -11.654 23.413 18.531 1.00 23.34 H new ATOM 0 HA SER A 368 -8.717 23.089 18.697 1.00 11.32 H new ATOM 0 HB2 SER A 368 -9.036 20.662 18.748 1.00 44.21 H new ATOM 0 HB3 SER A 368 -9.744 21.422 20.159 1.00 44.21 H new ATOM 0 HG SER A 368 -11.470 20.307 19.586 1.00 51.41 H new ATOM 366 N THR A 369 -8.837 21.764 16.361 1.00 31.01 N ATOM 367 CA THR A 369 -8.781 21.543 14.926 1.00 31.11 C ATOM 368 C THR A 369 -8.807 20.045 14.616 1.00 64.01 C ATOM 369 O THR A 369 -8.206 19.248 15.335 1.00 15.15 O ATOM 370 CB THR A 369 -7.539 22.254 14.386 1.00 4.13 C ATOM 371 OG1 THR A 369 -6.550 22.034 15.389 1.00 42.25 O ATOM 372 CG2 THR A 369 -7.703 23.775 14.352 1.00 21.03 C ATOM 0 H THR A 369 -8.123 21.271 16.897 1.00 31.01 H new ATOM 0 HA THR A 369 -9.655 21.961 14.427 1.00 31.11 H new ATOM 0 HB THR A 369 -7.320 21.890 13.382 1.00 4.13 H new ATOM 0 HG1 THR A 369 -5.710 22.460 15.119 1.00 42.25 H new ATOM 0 HG21 THR A 369 -6.793 24.230 13.961 1.00 21.03 H new ATOM 0 HG22 THR A 369 -8.544 24.036 13.710 1.00 21.03 H new ATOM 0 HG23 THR A 369 -7.888 24.144 15.361 1.00 21.03 H new ATOM 380 N PHE A 370 -9.508 19.707 13.544 1.00 42.13 N ATOM 381 CA PHE A 370 -9.619 18.319 13.129 1.00 35.14 C ATOM 382 C PHE A 370 -8.265 17.771 12.676 1.00 44.31 C ATOM 383 O PHE A 370 -7.689 16.906 13.334 1.00 73.33 O ATOM 384 CB PHE A 370 -10.592 18.281 11.949 1.00 13.32 C ATOM 385 CG PHE A 370 -10.816 16.882 11.371 1.00 2.34 C ATOM 386 CD1 PHE A 370 -11.357 15.905 12.147 1.00 71.23 C ATOM 387 CD2 PHE A 370 -10.473 16.616 10.082 1.00 13.33 C ATOM 388 CE1 PHE A 370 -11.565 14.606 11.610 1.00 3.54 C ATOM 389 CE2 PHE A 370 -10.681 15.318 9.546 1.00 22.11 C ATOM 390 CZ PHE A 370 -11.222 14.340 10.321 1.00 11.54 C ATOM 0 H PHE A 370 -10.005 20.371 12.950 1.00 42.13 H new ATOM 0 HA PHE A 370 -9.966 17.709 13.963 1.00 35.14 H new ATOM 0 HB2 PHE A 370 -11.551 18.688 12.269 1.00 13.32 H new ATOM 0 HB3 PHE A 370 -10.216 18.933 11.160 1.00 13.32 H new ATOM 0 HD1 PHE A 370 -11.628 16.116 13.171 1.00 71.23 H new ATOM 0 HD2 PHE A 370 -10.043 17.392 9.466 1.00 13.33 H new ATOM 0 HE1 PHE A 370 -11.995 13.830 12.225 1.00 3.54 H new ATOM 0 HE2 PHE A 370 -10.409 15.107 8.522 1.00 22.11 H new ATOM 0 HZ PHE A 370 -11.379 13.352 9.913 1.00 11.54 H new ATOM 400 N GLN A 371 -7.794 18.298 11.555 1.00 14.50 N ATOM 401 CA GLN A 371 -6.518 17.873 11.006 1.00 51.31 C ATOM 402 C GLN A 371 -5.490 17.701 12.125 1.00 25.14 C ATOM 403 O GLN A 371 -4.603 16.853 12.034 1.00 51.14 O ATOM 404 CB GLN A 371 -6.019 18.862 9.950 1.00 22.32 C ATOM 405 CG GLN A 371 -5.894 20.271 10.534 1.00 61.43 C ATOM 406 CD GLN A 371 -7.200 21.050 10.369 1.00 32.02 C ATOM 407 OE1 GLN A 371 -8.022 20.955 11.411 1.00 70.30 O flip ATOM 408 NE2 GLN A 371 -7.446 21.695 9.363 1.00 43.11 N flip ATOM 0 H GLN A 371 -8.274 19.016 11.012 1.00 14.50 H new ATOM 0 HA GLN A 371 -6.658 16.909 10.516 1.00 51.31 H new ATOM 0 HB2 GLN A 371 -5.051 18.535 9.569 1.00 22.32 H new ATOM 0 HB3 GLN A 371 -6.707 18.875 9.105 1.00 22.32 H new ATOM 0 HG2 GLN A 371 -5.634 20.209 11.591 1.00 61.43 H new ATOM 0 HG3 GLN A 371 -5.083 20.804 10.037 1.00 61.43 H new ATOM 0 HE21 GLN A 371 -6.771 21.726 8.599 1.00 43.11 H new ATOM 0 HE22 GLN A 371 -8.327 22.203 9.286 1.00 43.11 H new ATOM 417 N LEU A 372 -5.642 18.519 13.157 1.00 60.43 N ATOM 418 CA LEU A 372 -4.737 18.467 14.293 1.00 54.13 C ATOM 419 C LEU A 372 -4.928 17.141 15.031 1.00 32.14 C ATOM 420 O LEU A 372 -6.044 16.677 15.264 1.00 11.45 O ATOM 421 CB LEU A 372 -4.923 19.698 15.182 1.00 52.53 C ATOM 422 CG LEU A 372 -4.327 19.607 16.588 1.00 61.32 C ATOM 423 CD1 LEU A 372 -5.275 18.873 17.538 1.00 23.43 C ATOM 424 CD2 LEU A 372 -2.939 18.965 16.554 1.00 64.42 C ATOM 0 H LEU A 372 -6.378 19.221 13.230 1.00 60.43 H new ATOM 0 HA LEU A 372 -3.701 18.499 13.957 1.00 54.13 H new ATOM 0 HB2 LEU A 372 -4.481 20.557 14.677 1.00 52.53 H new ATOM 0 HB3 LEU A 372 -5.991 19.897 15.274 1.00 52.53 H new ATOM 0 HG LEU A 372 -4.204 20.619 16.974 1.00 61.32 H new ATOM 0 HD11 LEU A 372 -4.828 18.822 18.531 1.00 23.43 H new ATOM 0 HD12 LEU A 372 -6.222 19.410 17.594 1.00 23.43 H new ATOM 0 HD13 LEU A 372 -5.452 17.863 17.167 1.00 23.43 H new ATOM 0 HD21 LEU A 372 -2.538 18.912 17.566 1.00 64.42 H new ATOM 0 HD22 LEU A 372 -3.013 17.959 16.140 1.00 64.42 H new ATOM 0 HD23 LEU A 372 -2.276 19.565 15.931 1.00 64.42 H new ATOM 436 N CYS A 373 -3.803 16.535 15.398 1.00 70.02 N ATOM 437 CA CYS A 373 -3.816 15.263 16.110 1.00 61.14 C ATOM 438 C CYS A 373 -4.286 15.449 17.549 1.00 10.04 C ATOM 439 O CYS A 373 -3.765 16.320 18.245 1.00 62.52 O ATOM 440 CB CYS A 373 -2.423 14.632 16.094 1.00 24.44 C ATOM 441 SG CYS A 373 -1.202 15.499 17.133 1.00 53.24 S ATOM 0 H CYS A 373 -2.871 16.905 15.214 1.00 70.02 H new ATOM 0 HA CYS A 373 -4.515 14.598 15.602 1.00 61.14 H new ATOM 0 HB2 CYS A 373 -2.500 13.598 16.429 1.00 24.44 H new ATOM 0 HB3 CYS A 373 -2.058 14.608 15.067 1.00 24.44 H new ATOM 446 N LYS A 374 -5.250 14.638 17.960 1.00 63.32 N ATOM 447 CA LYS A 374 -5.776 14.725 19.311 1.00 33.33 C ATOM 448 C LYS A 374 -4.985 13.786 20.224 1.00 64.01 C ATOM 449 O LYS A 374 -5.444 13.437 21.310 1.00 31.12 O ATOM 450 CB LYS A 374 -7.283 14.461 19.317 1.00 15.50 C ATOM 451 CG LYS A 374 -8.008 15.404 18.354 1.00 73.10 C ATOM 452 CD LYS A 374 -7.759 16.867 18.727 1.00 60.33 C ATOM 453 CE LYS A 374 -8.591 17.805 17.850 1.00 4.31 C ATOM 454 NZ LYS A 374 -9.918 18.044 18.460 1.00 61.40 N ATOM 0 H LYS A 374 -5.680 13.917 17.380 1.00 63.32 H new ATOM 0 HA LYS A 374 -5.650 15.734 19.704 1.00 33.33 H new ATOM 0 HB2 LYS A 374 -7.476 13.426 19.033 1.00 15.50 H new ATOM 0 HB3 LYS A 374 -7.675 14.593 20.325 1.00 15.50 H new ATOM 0 HG2 LYS A 374 -7.667 15.222 17.335 1.00 73.10 H new ATOM 0 HG3 LYS A 374 -9.078 15.197 18.373 1.00 73.10 H new ATOM 0 HD2 LYS A 374 -8.009 17.026 19.776 1.00 60.33 H new ATOM 0 HD3 LYS A 374 -6.700 17.100 18.613 1.00 60.33 H new ATOM 0 HE2 LYS A 374 -8.067 18.752 17.722 1.00 4.31 H new ATOM 0 HE3 LYS A 374 -8.713 17.371 16.857 1.00 4.31 H new ATOM 0 HZ1 LYS A 374 -10.287 18.962 18.140 1.00 61.40 H new ATOM 0 HZ2 LYS A 374 -10.573 17.289 18.173 1.00 61.40 H new ATOM 0 HZ3 LYS A 374 -9.828 18.049 19.496 1.00 61.40 H new ATOM 467 N ILE A 375 -3.808 13.404 19.749 1.00 32.11 N ATOM 468 CA ILE A 375 -2.948 12.512 20.509 1.00 52.43 C ATOM 469 C ILE A 375 -1.989 13.342 21.364 1.00 10.42 C ATOM 470 O ILE A 375 -1.997 13.239 22.590 1.00 51.11 O ATOM 471 CB ILE A 375 -2.243 11.525 19.577 1.00 73.14 C ATOM 472 CG1 ILE A 375 -3.178 10.378 19.185 1.00 44.44 C ATOM 473 CG2 ILE A 375 -0.942 11.016 20.200 1.00 42.22 C ATOM 474 CD1 ILE A 375 -2.455 9.360 18.301 1.00 22.30 C ATOM 0 H ILE A 375 -3.430 13.696 18.848 1.00 32.11 H new ATOM 0 HA ILE A 375 -3.540 11.903 21.192 1.00 52.43 H new ATOM 0 HB ILE A 375 -1.976 12.051 18.660 1.00 73.14 H new ATOM 0 HG12 ILE A 375 -3.551 9.885 20.083 1.00 44.44 H new ATOM 0 HG13 ILE A 375 -4.044 10.775 18.655 1.00 44.44 H new ATOM 0 HG21 ILE A 375 -0.461 10.316 19.517 1.00 42.22 H new ATOM 0 HG22 ILE A 375 -0.275 11.857 20.387 1.00 42.22 H new ATOM 0 HG23 ILE A 375 -1.162 10.511 21.141 1.00 42.22 H new ATOM 0 HD11 ILE A 375 -3.141 8.555 18.037 1.00 22.30 H new ATOM 0 HD12 ILE A 375 -2.104 9.851 17.393 1.00 22.30 H new ATOM 0 HD13 ILE A 375 -1.604 8.947 18.843 1.00 22.30 H new ATOM 486 N CYS A 376 -1.185 14.147 20.684 1.00 35.12 N ATOM 487 CA CYS A 376 -0.222 14.994 21.367 1.00 53.24 C ATOM 488 C CYS A 376 -0.711 16.441 21.283 1.00 52.54 C ATOM 489 O CYS A 376 -0.350 17.272 22.115 1.00 63.21 O ATOM 490 CB CYS A 376 1.184 14.832 20.787 1.00 43.44 C ATOM 491 SG CYS A 376 1.388 15.462 19.080 1.00 32.53 S ATOM 0 H CYS A 376 -1.181 14.230 19.667 1.00 35.12 H new ATOM 0 HA CYS A 376 -0.149 14.697 22.413 1.00 53.24 H new ATOM 0 HB2 CYS A 376 1.891 15.348 21.436 1.00 43.44 H new ATOM 0 HB3 CYS A 376 1.449 13.775 20.803 1.00 43.44 H new ATOM 496 N ALA A 377 -1.526 16.699 20.270 1.00 42.50 N ATOM 497 CA ALA A 377 -2.068 18.032 20.066 1.00 10.15 C ATOM 498 C ALA A 377 -0.919 19.016 19.838 1.00 41.14 C ATOM 499 O ALA A 377 -0.923 20.118 20.384 1.00 45.10 O ATOM 500 CB ALA A 377 -2.937 18.419 21.265 1.00 25.43 C ATOM 0 H ALA A 377 -1.824 16.008 19.582 1.00 42.50 H new ATOM 0 HA ALA A 377 -2.704 18.056 19.181 1.00 10.15 H new ATOM 0 HB1 ALA A 377 -3.344 19.419 21.112 1.00 25.43 H new ATOM 0 HB2 ALA A 377 -3.755 17.706 21.366 1.00 25.43 H new ATOM 0 HB3 ALA A 377 -2.332 18.408 22.172 1.00 25.43 H new ATOM 506 N GLU A 378 0.037 18.582 19.029 1.00 12.40 N ATOM 507 CA GLU A 378 1.190 19.411 18.721 1.00 11.42 C ATOM 508 C GLU A 378 1.379 19.516 17.207 1.00 63.25 C ATOM 509 O GLU A 378 1.642 20.598 16.683 1.00 32.43 O ATOM 510 CB GLU A 378 2.451 18.868 19.395 1.00 3.23 C ATOM 511 CG GLU A 378 3.602 19.871 19.294 1.00 64.03 C ATOM 512 CD GLU A 378 3.146 21.273 19.703 1.00 70.12 C ATOM 513 OE1 GLU A 378 3.221 21.628 20.889 1.00 73.24 O ATOM 514 OE2 GLU A 378 2.702 22.005 18.738 1.00 73.20 O ATOM 0 H GLU A 378 0.036 17.667 18.578 1.00 12.40 H new ATOM 0 HA GLU A 378 1.010 20.411 19.115 1.00 11.42 H new ATOM 0 HB2 GLU A 378 2.243 18.652 20.443 1.00 3.23 H new ATOM 0 HB3 GLU A 378 2.741 17.927 18.927 1.00 3.23 H new ATOM 0 HG2 GLU A 378 4.425 19.551 19.934 1.00 64.03 H new ATOM 0 HG3 GLU A 378 3.982 19.892 18.273 1.00 64.03 H new ATOM 522 N ASN A 379 1.239 18.377 16.545 1.00 72.42 N ATOM 523 CA ASN A 379 1.391 18.326 15.101 1.00 42.34 C ATOM 524 C ASN A 379 0.086 17.836 14.471 1.00 32.21 C ATOM 525 O ASN A 379 -0.867 17.516 15.180 1.00 74.13 O ATOM 526 CB ASN A 379 2.504 17.357 14.698 1.00 71.34 C ATOM 527 CG ASN A 379 3.800 17.667 15.449 1.00 20.42 C ATOM 528 OD1 ASN A 379 4.081 18.796 15.815 1.00 43.23 O ATOM 529 ND2 ASN A 379 4.571 16.604 15.659 1.00 62.42 N ATOM 0 H ASN A 379 1.022 17.482 16.983 1.00 72.42 H new ATOM 0 HA ASN A 379 1.642 19.328 14.753 1.00 42.34 H new ATOM 0 HB2 ASN A 379 2.194 16.334 14.908 1.00 71.34 H new ATOM 0 HB3 ASN A 379 2.677 17.423 13.624 1.00 71.34 H new ATOM 0 HD21 ASN A 379 5.457 16.706 16.153 1.00 62.42 H new ATOM 0 HD22 ASN A 379 4.276 15.686 15.326 1.00 62.42 H new ATOM 536 N ASP A 380 0.084 17.792 13.147 1.00 65.10 N ATOM 537 CA ASP A 380 -1.088 17.346 12.414 1.00 32.21 C ATOM 538 C ASP A 380 -1.028 15.827 12.240 1.00 33.24 C ATOM 539 O ASP A 380 -0.003 15.207 12.518 1.00 60.32 O ATOM 540 CB ASP A 380 -1.142 17.979 11.022 1.00 23.04 C ATOM 541 CG ASP A 380 -0.784 19.466 10.974 1.00 33.12 C ATOM 542 OD1 ASP A 380 -1.461 20.306 11.586 1.00 73.51 O ATOM 543 OD2 ASP A 380 0.252 19.755 10.262 1.00 32.31 O ATOM 0 H ASP A 380 0.876 18.058 12.562 1.00 65.10 H new ATOM 0 HA ASP A 380 -1.972 17.642 12.979 1.00 32.21 H new ATOM 0 HB2 ASP A 380 -0.462 17.436 10.366 1.00 23.04 H new ATOM 0 HB3 ASP A 380 -2.146 17.849 10.619 1.00 23.04 H new ATOM 549 N LYS A 381 -2.141 15.271 11.782 1.00 5.43 N ATOM 550 CA LYS A 381 -2.228 13.837 11.568 1.00 25.24 C ATOM 551 C LYS A 381 -1.361 13.451 10.368 1.00 5.02 C ATOM 552 O LYS A 381 -0.405 12.689 10.508 1.00 50.05 O ATOM 553 CB LYS A 381 -3.689 13.402 11.436 1.00 4.45 C ATOM 554 CG LYS A 381 -4.463 13.684 12.726 1.00 41.13 C ATOM 555 CD LYS A 381 -5.912 14.071 12.422 1.00 63.12 C ATOM 556 CE LYS A 381 -6.834 13.698 13.584 1.00 10.12 C ATOM 557 NZ LYS A 381 -8.239 14.031 13.258 1.00 21.23 N ATOM 0 H LYS A 381 -2.990 15.789 11.553 1.00 5.43 H new ATOM 0 HA LYS A 381 -1.836 13.299 12.431 1.00 25.24 H new ATOM 0 HB2 LYS A 381 -4.156 13.930 10.605 1.00 4.45 H new ATOM 0 HB3 LYS A 381 -3.736 12.338 11.204 1.00 4.45 H new ATOM 0 HG2 LYS A 381 -4.445 12.802 13.366 1.00 41.13 H new ATOM 0 HG3 LYS A 381 -3.976 14.488 13.278 1.00 41.13 H new ATOM 0 HD2 LYS A 381 -5.974 15.143 12.233 1.00 63.12 H new ATOM 0 HD3 LYS A 381 -6.244 13.568 11.514 1.00 63.12 H new ATOM 0 HE2 LYS A 381 -6.747 12.633 13.798 1.00 10.12 H new ATOM 0 HE3 LYS A 381 -6.527 14.230 14.485 1.00 10.12 H new ATOM 0 HZ1 LYS A 381 -8.539 14.855 13.817 1.00 21.23 H new ATOM 0 HZ2 LYS A 381 -8.317 14.253 12.245 1.00 21.23 H new ATOM 0 HZ3 LYS A 381 -8.849 13.219 13.482 1.00 21.23 H new ATOM 570 N ASP A 382 -1.725 13.995 9.216 1.00 21.14 N ATOM 571 CA ASP A 382 -0.992 13.717 7.993 1.00 52.24 C ATOM 572 C ASP A 382 -1.032 12.214 7.710 1.00 45.12 C ATOM 573 O ASP A 382 -0.149 11.682 7.039 1.00 63.23 O ATOM 574 CB ASP A 382 0.474 14.136 8.121 1.00 34.23 C ATOM 575 CG ASP A 382 0.740 15.628 7.916 1.00 3.41 C ATOM 576 OD1 ASP A 382 1.817 16.138 8.261 1.00 53.21 O ATOM 577 OD2 ASP A 382 -0.226 16.285 7.369 1.00 35.25 O ATOM 0 H ASP A 382 -2.518 14.627 9.104 1.00 21.14 H new ATOM 0 HA ASP A 382 -1.458 14.281 7.185 1.00 52.24 H new ATOM 0 HB2 ASP A 382 0.833 13.851 9.110 1.00 34.23 H new ATOM 0 HB3 ASP A 382 1.062 13.574 7.395 1.00 34.23 H new ATOM 583 N VAL A 383 -2.064 11.572 8.236 1.00 53.11 N ATOM 584 CA VAL A 383 -2.230 10.141 8.048 1.00 32.24 C ATOM 585 C VAL A 383 -3.686 9.760 8.326 1.00 22.20 C ATOM 586 O VAL A 383 -4.385 10.458 9.058 1.00 12.31 O ATOM 587 CB VAL A 383 -1.235 9.379 8.926 1.00 10.22 C ATOM 588 CG1 VAL A 383 -1.838 9.070 10.298 1.00 54.23 C ATOM 589 CG2 VAL A 383 -0.761 8.099 8.234 1.00 15.34 C ATOM 0 H VAL A 383 -2.794 12.017 8.793 1.00 53.11 H new ATOM 0 HA VAL A 383 -2.012 9.864 7.017 1.00 32.24 H new ATOM 0 HB VAL A 383 -0.366 10.019 9.079 1.00 10.22 H new ATOM 0 HG11 VAL A 383 -1.110 8.528 10.902 1.00 54.23 H new ATOM 0 HG12 VAL A 383 -2.102 10.002 10.798 1.00 54.23 H new ATOM 0 HG13 VAL A 383 -2.732 8.459 10.173 1.00 54.23 H new ATOM 0 HG21 VAL A 383 -0.055 7.577 8.879 1.00 15.34 H new ATOM 0 HG22 VAL A 383 -1.617 7.454 8.036 1.00 15.34 H new ATOM 0 HG23 VAL A 383 -0.273 8.353 7.293 1.00 15.34 H new ATOM 599 N LYS A 384 -4.099 8.653 7.726 1.00 20.05 N ATOM 600 CA LYS A 384 -5.459 8.171 7.900 1.00 24.30 C ATOM 601 C LYS A 384 -5.440 6.648 8.049 1.00 50.12 C ATOM 602 O LYS A 384 -4.723 5.959 7.325 1.00 20.21 O ATOM 603 CB LYS A 384 -6.352 8.667 6.761 1.00 34.54 C ATOM 604 CG LYS A 384 -7.648 7.857 6.689 1.00 35.43 C ATOM 605 CD LYS A 384 -8.698 8.576 5.839 1.00 21.14 C ATOM 606 CE LYS A 384 -9.749 9.252 6.722 1.00 5.32 C ATOM 607 NZ LYS A 384 -11.048 9.328 6.017 1.00 65.51 N ATOM 0 H LYS A 384 -3.516 8.076 7.119 1.00 20.05 H new ATOM 0 HA LYS A 384 -5.894 8.576 8.814 1.00 24.30 H new ATOM 0 HB2 LYS A 384 -6.585 9.721 6.910 1.00 34.54 H new ATOM 0 HB3 LYS A 384 -5.817 8.589 5.814 1.00 34.54 H new ATOM 0 HG2 LYS A 384 -7.443 6.874 6.265 1.00 35.43 H new ATOM 0 HG3 LYS A 384 -8.037 7.696 7.695 1.00 35.43 H new ATOM 0 HD2 LYS A 384 -8.213 9.322 5.209 1.00 21.14 H new ATOM 0 HD3 LYS A 384 -9.182 7.862 5.172 1.00 21.14 H new ATOM 0 HE2 LYS A 384 -9.865 8.694 7.651 1.00 5.32 H new ATOM 0 HE3 LYS A 384 -9.416 10.254 6.992 1.00 5.32 H new ATOM 0 HZ1 LYS A 384 -11.750 9.789 6.631 1.00 65.51 H new ATOM 0 HZ2 LYS A 384 -10.937 9.880 5.143 1.00 65.51 H new ATOM 0 HZ3 LYS A 384 -11.372 8.368 5.782 1.00 65.51 H new ATOM 620 N ILE A 385 -6.237 6.168 8.992 1.00 71.11 N ATOM 621 CA ILE A 385 -6.321 4.739 9.245 1.00 52.51 C ATOM 622 C ILE A 385 -7.546 4.170 8.527 1.00 52.04 C ATOM 623 O ILE A 385 -8.606 4.794 8.509 1.00 1.32 O ATOM 624 CB ILE A 385 -6.305 4.460 10.749 1.00 31.10 C ATOM 625 CG1 ILE A 385 -5.072 5.080 11.409 1.00 64.12 C ATOM 626 CG2 ILE A 385 -6.412 2.959 11.029 1.00 44.51 C ATOM 627 CD1 ILE A 385 -3.802 4.317 11.025 1.00 74.25 C ATOM 0 H ILE A 385 -6.830 6.743 9.590 1.00 71.11 H new ATOM 0 HA ILE A 385 -5.448 4.228 8.840 1.00 52.51 H new ATOM 0 HB ILE A 385 -7.180 4.934 11.194 1.00 31.10 H new ATOM 0 HG12 ILE A 385 -4.979 6.123 11.107 1.00 64.12 H new ATOM 0 HG13 ILE A 385 -5.192 5.072 12.492 1.00 64.12 H new ATOM 0 HG21 ILE A 385 -6.398 2.788 12.105 1.00 44.51 H new ATOM 0 HG22 ILE A 385 -7.344 2.577 10.613 1.00 44.51 H new ATOM 0 HG23 ILE A 385 -5.570 2.442 10.569 1.00 44.51 H new ATOM 0 HD11 ILE A 385 -2.940 4.778 11.508 1.00 74.25 H new ATOM 0 HD12 ILE A 385 -3.888 3.280 11.350 1.00 74.25 H new ATOM 0 HD13 ILE A 385 -3.672 4.348 9.943 1.00 74.25 H new ATOM 639 N GLU A 386 -7.360 2.991 7.951 1.00 12.14 N ATOM 640 CA GLU A 386 -8.437 2.330 7.233 1.00 10.45 C ATOM 641 C GLU A 386 -8.451 0.835 7.557 1.00 72.04 C ATOM 642 O GLU A 386 -7.458 0.290 8.036 1.00 10.40 O ATOM 643 CB GLU A 386 -8.316 2.565 5.726 1.00 22.44 C ATOM 644 CG GLU A 386 -9.262 3.676 5.266 1.00 25.14 C ATOM 645 CD GLU A 386 -10.216 3.170 4.183 1.00 62.14 C ATOM 646 OE1 GLU A 386 -11.431 3.404 4.268 1.00 64.50 O ATOM 647 OE2 GLU A 386 -9.654 2.513 3.225 1.00 50.21 O ATOM 0 H GLU A 386 -6.479 2.476 7.967 1.00 12.14 H new ATOM 0 HA GLU A 386 -9.384 2.761 7.559 1.00 10.45 H new ATOM 0 HB2 GLU A 386 -7.289 2.831 5.477 1.00 22.44 H new ATOM 0 HB3 GLU A 386 -8.545 1.643 5.191 1.00 22.44 H new ATOM 0 HG2 GLU A 386 -9.835 4.046 6.116 1.00 25.14 H new ATOM 0 HG3 GLU A 386 -8.683 4.516 4.882 1.00 25.14 H new ATOM 655 N PRO A 387 -9.618 0.197 7.274 1.00 74.24 N ATOM 656 CA PRO A 387 -10.746 0.916 6.707 1.00 54.31 C ATOM 657 C PRO A 387 -11.435 1.779 7.766 1.00 2.14 C ATOM 658 O PRO A 387 -12.310 2.595 7.477 1.00 23.34 O ATOM 659 CB PRO A 387 -11.654 -0.161 6.137 1.00 71.42 C ATOM 660 CG PRO A 387 -11.236 -1.458 6.811 1.00 65.24 C ATOM 661 CD PRO A 387 -9.894 -1.221 7.485 1.00 71.21 C ATOM 0 HA PRO A 387 -10.448 1.619 5.929 1.00 54.31 H new ATOM 0 HB2 PRO A 387 -12.701 0.064 6.339 1.00 71.42 H new ATOM 0 HB3 PRO A 387 -11.546 -0.231 5.055 1.00 71.42 H new ATOM 0 HG2 PRO A 387 -11.982 -1.765 7.544 1.00 65.24 H new ATOM 0 HG3 PRO A 387 -11.159 -2.261 6.078 1.00 65.24 H new ATOM 0 HD2 PRO A 387 -9.936 -1.462 8.547 1.00 71.21 H new ATOM 0 HD3 PRO A 387 -9.115 -1.845 7.047 1.00 71.21 H new ATOM 669 N CYS A 388 -11.016 1.579 9.012 1.00 12.34 N ATOM 670 CA CYS A 388 -11.574 2.323 10.135 1.00 22.13 C ATOM 671 C CYS A 388 -11.884 3.762 9.735 1.00 11.41 C ATOM 672 O CYS A 388 -13.056 4.107 9.588 1.00 63.23 O ATOM 673 CB CYS A 388 -10.602 2.309 11.317 1.00 70.14 C ATOM 674 SG CYS A 388 -11.105 3.376 12.705 1.00 30.03 S ATOM 0 H CYS A 388 -10.292 0.908 9.269 1.00 12.34 H new ATOM 0 HA CYS A 388 -12.504 1.839 10.432 1.00 22.13 H new ATOM 0 HB2 CYS A 388 -10.500 1.286 11.678 1.00 70.14 H new ATOM 0 HB3 CYS A 388 -9.618 2.624 10.969 1.00 70.14 H new ATOM 679 N GLY A 389 -10.840 4.562 9.571 1.00 75.01 N ATOM 680 CA GLY A 389 -11.016 5.953 9.191 1.00 52.42 C ATOM 681 C GLY A 389 -10.530 6.890 10.299 1.00 54.01 C ATOM 682 O GLY A 389 -10.889 8.066 10.324 1.00 14.21 O ATOM 0 H GLY A 389 -9.870 4.273 9.694 1.00 75.01 H new ATOM 0 HA2 GLY A 389 -10.466 6.155 8.272 1.00 52.42 H new ATOM 0 HA3 GLY A 389 -12.068 6.146 8.982 1.00 52.42 H new ATOM 686 N HIS A 390 -9.721 6.333 11.188 1.00 53.10 N ATOM 687 CA HIS A 390 -9.183 7.104 12.296 1.00 65.13 C ATOM 688 C HIS A 390 -7.884 7.786 11.862 1.00 4.52 C ATOM 689 O HIS A 390 -6.988 7.139 11.323 1.00 24.23 O ATOM 690 CB HIS A 390 -9.005 6.224 13.534 1.00 30.34 C ATOM 691 CG HIS A 390 -10.302 5.846 14.210 1.00 4.25 C ATOM 692 ND1 HIS A 390 -10.388 4.841 15.158 1.00 51.20 N ATOM 693 CD2 HIS A 390 -11.561 6.350 14.067 1.00 30.21 C ATOM 694 CE1 HIS A 390 -11.648 4.752 15.559 1.00 24.12 C ATOM 695 NE2 HIS A 390 -12.373 5.687 14.882 1.00 51.44 N ATOM 0 H HIS A 390 -9.425 5.357 11.164 1.00 53.10 H new ATOM 0 HA HIS A 390 -9.888 7.886 12.576 1.00 65.13 H new ATOM 0 HB2 HIS A 390 -8.478 5.314 13.248 1.00 30.34 H new ATOM 0 HB3 HIS A 390 -8.372 6.747 14.251 1.00 30.34 H new ATOM 0 HD2 HIS A 390 -11.849 7.152 13.404 1.00 30.21 H new ATOM 0 HE1 HIS A 390 -12.033 4.060 16.293 1.00 24.12 H new ATOM 0 HE2 HIS A 390 -13.375 5.850 14.985 1.00 51.44 H new ATOM 703 N LEU A 391 -7.823 9.086 12.114 1.00 72.11 N ATOM 704 CA LEU A 391 -6.649 9.864 11.756 1.00 21.55 C ATOM 705 C LEU A 391 -5.732 9.984 12.975 1.00 21.13 C ATOM 706 O LEU A 391 -6.171 9.794 14.108 1.00 13.14 O ATOM 707 CB LEU A 391 -7.060 11.211 11.161 1.00 40.44 C ATOM 708 CG LEU A 391 -8.286 11.194 10.246 1.00 52.33 C ATOM 709 CD1 LEU A 391 -9.061 12.510 10.342 1.00 4.22 C ATOM 710 CD2 LEU A 391 -7.891 10.866 8.805 1.00 44.54 C ATOM 0 H LEU A 391 -8.568 9.620 12.562 1.00 72.11 H new ATOM 0 HA LEU A 391 -6.080 9.358 10.976 1.00 21.55 H new ATOM 0 HB2 LEU A 391 -7.252 11.904 11.980 1.00 40.44 H new ATOM 0 HB3 LEU A 391 -6.216 11.609 10.598 1.00 40.44 H new ATOM 0 HG LEU A 391 -8.953 10.402 10.585 1.00 52.33 H new ATOM 0 HD11 LEU A 391 -9.927 12.471 9.682 1.00 4.22 H new ATOM 0 HD12 LEU A 391 -9.394 12.662 11.369 1.00 4.22 H new ATOM 0 HD13 LEU A 391 -8.415 13.336 10.044 1.00 4.22 H new ATOM 0 HD21 LEU A 391 -8.781 10.860 8.176 1.00 44.54 H new ATOM 0 HD22 LEU A 391 -7.193 11.619 8.439 1.00 44.54 H new ATOM 0 HD23 LEU A 391 -7.417 9.885 8.772 1.00 44.54 H new ATOM 722 N MET A 392 -4.475 10.299 12.701 1.00 25.30 N ATOM 723 CA MET A 392 -3.492 10.447 13.761 1.00 22.31 C ATOM 724 C MET A 392 -2.187 11.036 13.221 1.00 13.30 C ATOM 725 O MET A 392 -2.032 11.207 12.013 1.00 73.33 O ATOM 726 CB MET A 392 -3.212 9.081 14.393 1.00 53.55 C ATOM 727 CG MET A 392 -2.706 8.087 13.346 1.00 22.20 C ATOM 728 SD MET A 392 -2.720 6.433 14.018 1.00 11.32 S ATOM 729 CE MET A 392 -4.437 6.304 14.488 1.00 13.40 C ATOM 0 H MET A 392 -4.114 10.456 11.760 1.00 25.30 H new ATOM 0 HA MET A 392 -3.894 11.129 14.510 1.00 22.31 H new ATOM 0 HB2 MET A 392 -2.472 9.188 15.186 1.00 53.55 H new ATOM 0 HB3 MET A 392 -4.121 8.697 14.855 1.00 53.55 H new ATOM 0 HG2 MET A 392 -3.334 8.132 12.456 1.00 22.20 H new ATOM 0 HG3 MET A 392 -1.695 8.354 13.037 1.00 22.20 H new ATOM 0 HE1 MET A 392 -4.747 5.259 14.452 1.00 13.40 H new ATOM 0 HE2 MET A 392 -4.567 6.686 15.500 1.00 13.40 H new ATOM 0 HE3 MET A 392 -5.048 6.887 13.799 1.00 13.40 H new ATOM 739 N CYS A 393 -1.282 11.332 14.143 1.00 74.43 N ATOM 740 CA CYS A 393 0.004 11.898 13.774 1.00 12.52 C ATOM 741 C CYS A 393 1.039 10.772 13.760 1.00 71.01 C ATOM 742 O CYS A 393 1.337 10.185 14.799 1.00 74.52 O ATOM 743 CB CYS A 393 0.411 13.036 14.714 1.00 74.45 C ATOM 744 SG CYS A 393 0.205 12.670 16.495 1.00 42.22 S ATOM 0 H CYS A 393 -1.414 11.190 15.144 1.00 74.43 H new ATOM 0 HA CYS A 393 -0.062 12.341 12.780 1.00 12.52 H new ATOM 0 HB2 CYS A 393 1.455 13.287 14.527 1.00 74.45 H new ATOM 0 HB3 CYS A 393 -0.178 13.920 14.468 1.00 74.45 H new ATOM 749 N THR A 394 1.559 10.504 12.571 1.00 11.41 N ATOM 750 CA THR A 394 2.555 9.459 12.408 1.00 75.31 C ATOM 751 C THR A 394 3.569 9.505 13.552 1.00 43.31 C ATOM 752 O THR A 394 3.721 8.535 14.292 1.00 72.40 O ATOM 753 CB THR A 394 3.189 9.622 11.025 1.00 24.14 C ATOM 754 OG1 THR A 394 2.076 9.754 10.146 1.00 62.03 O ATOM 755 CG2 THR A 394 3.891 8.349 10.549 1.00 25.54 C ATOM 0 H THR A 394 1.309 10.993 11.711 1.00 11.41 H new ATOM 0 HA THR A 394 2.102 8.469 12.458 1.00 75.31 H new ATOM 0 HB THR A 394 3.905 10.444 11.049 1.00 24.14 H new ATOM 0 HG1 THR A 394 2.397 9.866 9.227 1.00 62.03 H new ATOM 0 HG21 THR A 394 4.323 8.519 9.563 1.00 25.54 H new ATOM 0 HG22 THR A 394 4.682 8.085 11.251 1.00 25.54 H new ATOM 0 HG23 THR A 394 3.169 7.535 10.493 1.00 25.54 H new ATOM 763 N SER A 395 4.238 10.644 13.661 1.00 61.21 N ATOM 764 CA SER A 395 5.234 10.830 14.702 1.00 23.22 C ATOM 765 C SER A 395 4.728 10.242 16.021 1.00 3.53 C ATOM 766 O SER A 395 5.504 9.682 16.794 1.00 63.35 O ATOM 767 CB SER A 395 5.578 12.310 14.878 1.00 51.34 C ATOM 768 OG SER A 395 6.733 12.498 15.690 1.00 23.44 O ATOM 0 H SER A 395 4.109 11.447 13.045 1.00 61.21 H new ATOM 0 HA SER A 395 6.143 10.307 14.403 1.00 23.22 H new ATOM 0 HB2 SER A 395 5.745 12.762 13.900 1.00 51.34 H new ATOM 0 HB3 SER A 395 4.731 12.828 15.328 1.00 51.34 H new ATOM 0 HG SER A 395 6.920 13.456 15.776 1.00 23.44 H new ATOM 774 N CYS A 396 3.430 10.391 16.239 1.00 51.41 N ATOM 775 CA CYS A 396 2.811 9.883 17.451 1.00 20.32 C ATOM 776 C CYS A 396 2.672 8.365 17.319 1.00 31.21 C ATOM 777 O CYS A 396 3.144 7.618 18.175 1.00 60.23 O ATOM 778 CB CYS A 396 1.466 10.557 17.725 1.00 15.54 C ATOM 779 SG CYS A 396 1.365 12.309 17.206 1.00 45.24 S ATOM 0 H CYS A 396 2.789 10.857 15.596 1.00 51.41 H new ATOM 0 HA CYS A 396 3.441 10.116 18.309 1.00 20.32 H new ATOM 0 HB2 CYS A 396 0.684 9.996 17.214 1.00 15.54 H new ATOM 0 HB3 CYS A 396 1.256 10.496 18.793 1.00 15.54 H new ATOM 784 N LEU A 397 2.022 7.954 16.240 1.00 33.13 N ATOM 785 CA LEU A 397 1.814 6.539 15.985 1.00 25.51 C ATOM 786 C LEU A 397 3.092 5.770 16.330 1.00 52.20 C ATOM 787 O LEU A 397 3.030 4.641 16.814 1.00 52.10 O ATOM 788 CB LEU A 397 1.333 6.318 14.550 1.00 75.21 C ATOM 789 CG LEU A 397 1.534 4.911 13.984 1.00 64.25 C ATOM 790 CD1 LEU A 397 3.016 4.630 13.728 1.00 25.14 C ATOM 791 CD2 LEU A 397 0.900 3.857 14.893 1.00 13.25 C ATOM 0 H LEU A 397 1.632 8.577 15.532 1.00 33.13 H new ATOM 0 HA LEU A 397 1.023 6.149 16.626 1.00 25.51 H new ATOM 0 HB2 LEU A 397 0.271 6.559 14.503 1.00 75.21 H new ATOM 0 HB3 LEU A 397 1.849 7.026 13.902 1.00 75.21 H new ATOM 0 HG LEU A 397 1.024 4.854 13.022 1.00 64.25 H new ATOM 0 HD11 LEU A 397 3.131 3.623 13.326 1.00 25.14 H new ATOM 0 HD12 LEU A 397 3.405 5.354 13.012 1.00 25.14 H new ATOM 0 HD13 LEU A 397 3.569 4.712 14.664 1.00 25.14 H new ATOM 0 HD21 LEU A 397 1.058 2.866 14.467 1.00 13.25 H new ATOM 0 HD22 LEU A 397 1.359 3.904 15.880 1.00 13.25 H new ATOM 0 HD23 LEU A 397 -0.170 4.048 14.981 1.00 13.25 H new ATOM 803 N THR A 398 4.220 6.413 16.067 1.00 1.13 N ATOM 804 CA THR A 398 5.510 5.804 16.344 1.00 42.42 C ATOM 805 C THR A 398 5.661 5.531 17.841 1.00 32.15 C ATOM 806 O THR A 398 6.020 4.425 18.241 1.00 24.41 O ATOM 807 CB THR A 398 6.597 6.723 15.782 1.00 53.24 C ATOM 808 OG1 THR A 398 6.269 6.844 14.400 1.00 13.02 O ATOM 809 CG2 THR A 398 7.978 6.064 15.780 1.00 13.54 C ATOM 0 H THR A 398 4.268 7.349 15.665 1.00 1.13 H new ATOM 0 HA THR A 398 5.601 4.833 15.858 1.00 42.42 H new ATOM 0 HB THR A 398 6.634 7.641 16.368 1.00 53.24 H new ATOM 0 HG1 THR A 398 6.923 7.425 13.958 1.00 13.02 H new ATOM 0 HG21 THR A 398 8.712 6.759 15.372 1.00 13.54 H new ATOM 0 HG22 THR A 398 8.257 5.800 16.800 1.00 13.54 H new ATOM 0 HG23 THR A 398 7.950 5.163 15.167 1.00 13.54 H new ATOM 817 N ALA A 399 5.378 6.558 18.629 1.00 31.13 N ATOM 818 CA ALA A 399 5.477 6.442 20.074 1.00 4.24 C ATOM 819 C ALA A 399 4.620 5.267 20.548 1.00 72.12 C ATOM 820 O ALA A 399 4.847 4.724 21.628 1.00 72.43 O ATOM 821 CB ALA A 399 5.063 7.765 20.722 1.00 33.22 C ATOM 0 H ALA A 399 5.080 7.474 18.294 1.00 31.13 H new ATOM 0 HA ALA A 399 6.506 6.240 20.373 1.00 4.24 H new ATOM 0 HB1 ALA A 399 5.137 7.678 21.806 1.00 33.22 H new ATOM 0 HB2 ALA A 399 5.722 8.561 20.376 1.00 33.22 H new ATOM 0 HB3 ALA A 399 4.035 7.999 20.446 1.00 33.22 H new ATOM 827 N TRP A 400 3.652 4.909 19.716 1.00 3.14 N ATOM 828 CA TRP A 400 2.760 3.808 20.036 1.00 14.14 C ATOM 829 C TRP A 400 3.439 2.507 19.604 1.00 4.32 C ATOM 830 O TRP A 400 3.771 1.669 20.441 1.00 64.45 O ATOM 831 CB TRP A 400 1.388 4.009 19.390 1.00 53.01 C ATOM 832 CG TRP A 400 0.582 2.719 19.225 1.00 24.41 C ATOM 833 CD1 TRP A 400 0.388 2.004 18.108 1.00 11.41 C ATOM 834 CD2 TRP A 400 -0.133 2.013 20.261 1.00 13.53 C ATOM 835 NE1 TRP A 400 -0.398 0.895 18.347 1.00 4.13 N ATOM 836 CE2 TRP A 400 -0.724 0.901 19.698 1.00 35.13 C ATOM 837 CE3 TRP A 400 -0.276 2.306 21.629 1.00 12.10 C ATOM 838 CZ2 TRP A 400 -1.499 -0.008 20.429 1.00 20.10 C ATOM 839 CZ3 TRP A 400 -1.053 1.388 22.345 1.00 33.04 C ATOM 840 CH2 TRP A 400 -1.655 0.263 21.794 1.00 52.25 C ATOM 0 H TRP A 400 3.466 5.362 18.821 1.00 3.14 H new ATOM 0 HA TRP A 400 2.573 3.763 21.109 1.00 14.14 H new ATOM 0 HB2 TRP A 400 0.812 4.710 19.995 1.00 53.01 H new ATOM 0 HB3 TRP A 400 1.523 4.469 18.411 1.00 53.01 H new ATOM 0 HD1 TRP A 400 0.796 2.263 17.142 1.00 11.41 H new ATOM 0 HE1 TRP A 400 -0.686 0.199 17.659 1.00 4.13 H new ATOM 0 HE3 TRP A 400 0.178 3.171 22.090 1.00 12.10 H new ATOM 0 HZ2 TRP A 400 -1.952 -0.872 19.965 1.00 20.10 H new ATOM 0 HZ3 TRP A 400 -1.195 1.567 23.401 1.00 33.04 H new ATOM 0 HH2 TRP A 400 -2.240 -0.399 22.415 1.00 52.25 H new ATOM 851 N GLN A 401 3.626 2.380 18.299 1.00 43.12 N ATOM 852 CA GLN A 401 4.260 1.196 17.745 1.00 25.44 C ATOM 853 C GLN A 401 5.555 0.885 18.499 1.00 2.53 C ATOM 854 O GLN A 401 6.042 -0.243 18.465 1.00 25.40 O ATOM 855 CB GLN A 401 4.525 1.364 16.248 1.00 51.20 C ATOM 856 CG GLN A 401 3.213 1.485 15.470 1.00 42.53 C ATOM 857 CD GLN A 401 2.692 0.108 15.055 1.00 22.24 C ATOM 858 OE1 GLN A 401 3.431 -0.857 14.946 1.00 1.15 O ATOM 859 NE2 GLN A 401 1.382 0.070 14.831 1.00 12.02 N ATOM 0 H GLN A 401 3.349 3.078 17.609 1.00 43.12 H new ATOM 0 HA GLN A 401 3.579 0.354 17.867 1.00 25.44 H new ATOM 0 HB2 GLN A 401 5.135 2.252 16.080 1.00 51.20 H new ATOM 0 HB3 GLN A 401 5.094 0.511 15.878 1.00 51.20 H new ATOM 0 HG2 GLN A 401 2.467 1.990 16.084 1.00 42.53 H new ATOM 0 HG3 GLN A 401 3.367 2.101 14.584 1.00 42.53 H new ATOM 0 HE21 GLN A 401 0.821 0.915 14.941 1.00 12.02 H new ATOM 0 HE22 GLN A 401 0.938 -0.804 14.550 1.00 12.02 H new ATOM 868 N GLU A 402 6.076 1.908 19.163 1.00 75.44 N ATOM 869 CA GLU A 402 7.304 1.758 19.924 1.00 43.33 C ATOM 870 C GLU A 402 7.346 0.387 20.601 1.00 60.13 C ATOM 871 O GLU A 402 8.213 -0.432 20.300 1.00 41.15 O ATOM 872 CB GLU A 402 7.453 2.882 20.951 1.00 34.25 C ATOM 873 CG GLU A 402 8.341 4.005 20.412 1.00 21.41 C ATOM 874 CD GLU A 402 8.640 5.038 21.500 1.00 24.44 C ATOM 875 OE1 GLU A 402 9.735 5.620 21.518 1.00 22.33 O ATOM 876 OE2 GLU A 402 7.687 5.228 22.348 1.00 51.50 O ATOM 0 H GLU A 402 5.669 2.843 19.189 1.00 75.44 H new ATOM 0 HA GLU A 402 8.146 1.826 19.235 1.00 43.33 H new ATOM 0 HB2 GLU A 402 6.470 3.280 21.204 1.00 34.25 H new ATOM 0 HB3 GLU A 402 7.882 2.484 21.871 1.00 34.25 H new ATOM 0 HG2 GLU A 402 9.275 3.587 20.036 1.00 21.41 H new ATOM 0 HG3 GLU A 402 7.848 4.491 19.570 1.00 21.41 H new ATOM 884 N SER A 403 6.398 0.179 21.503 1.00 62.43 N ATOM 885 CA SER A 403 6.316 -1.080 22.225 1.00 52.41 C ATOM 886 C SER A 403 4.945 -1.722 22.002 1.00 22.01 C ATOM 887 O SER A 403 4.798 -2.937 22.125 1.00 13.01 O ATOM 888 CB SER A 403 6.569 -0.874 23.720 1.00 71.13 C ATOM 889 OG SER A 403 7.959 -0.891 24.033 1.00 40.30 O ATOM 0 H SER A 403 5.680 0.860 21.750 1.00 62.43 H new ATOM 0 HA SER A 403 7.089 -1.746 21.841 1.00 52.41 H new ATOM 0 HB2 SER A 403 6.138 0.077 24.033 1.00 71.13 H new ATOM 0 HB3 SER A 403 6.060 -1.655 24.285 1.00 71.13 H new ATOM 0 HG SER A 403 8.079 -0.755 24.996 1.00 40.30 H new ATOM 895 N ASP A 404 3.977 -0.878 21.678 1.00 1.41 N ATOM 896 CA ASP A 404 2.623 -1.348 21.437 1.00 45.31 C ATOM 897 C ASP A 404 2.510 -1.842 19.994 1.00 74.44 C ATOM 898 O ASP A 404 2.836 -2.992 19.700 1.00 15.40 O ATOM 899 CB ASP A 404 1.606 -0.222 21.632 1.00 3.33 C ATOM 900 CG ASP A 404 1.248 0.080 23.089 1.00 51.42 C ATOM 901 OD1 ASP A 404 1.465 1.197 23.582 1.00 45.35 O ATOM 902 OD2 ASP A 404 0.716 -0.902 23.734 1.00 5.24 O ATOM 0 H ASP A 404 4.103 0.129 21.577 1.00 1.41 H new ATOM 0 HA ASP A 404 2.413 -2.150 22.145 1.00 45.31 H new ATOM 0 HB2 ASP A 404 1.999 0.686 21.174 1.00 3.33 H new ATOM 0 HB3 ASP A 404 0.693 -0.480 21.095 1.00 3.33 H new ATOM 908 N GLY A 405 2.046 -0.950 19.131 1.00 61.22 N ATOM 909 CA GLY A 405 1.885 -1.282 17.725 1.00 3.32 C ATOM 910 C GLY A 405 0.773 -2.314 17.529 1.00 24.32 C ATOM 911 O GLY A 405 0.756 -3.030 16.529 1.00 34.42 O ATOM 0 H GLY A 405 1.776 0.002 19.378 1.00 61.22 H new ATOM 0 HA2 GLY A 405 1.653 -0.380 17.159 1.00 3.32 H new ATOM 0 HA3 GLY A 405 2.823 -1.673 17.330 1.00 3.32 H new ATOM 915 N GLN A 406 -0.127 -2.358 18.500 1.00 75.23 N ATOM 916 CA GLN A 406 -1.240 -3.291 18.446 1.00 31.24 C ATOM 917 C GLN A 406 -2.357 -2.735 17.561 1.00 34.04 C ATOM 918 O GLN A 406 -3.488 -2.567 18.015 1.00 32.32 O ATOM 919 CB GLN A 406 -1.759 -3.607 19.851 1.00 42.23 C ATOM 920 CG GLN A 406 -1.157 -4.911 20.378 1.00 44.15 C ATOM 921 CD GLN A 406 0.217 -4.666 21.005 1.00 21.14 C ATOM 922 OE1 GLN A 406 0.611 -3.545 21.282 1.00 12.04 O ATOM 923 NE2 GLN A 406 0.922 -5.774 21.214 1.00 71.51 N ATOM 0 H GLN A 406 -0.108 -1.763 19.328 1.00 75.23 H new ATOM 0 HA GLN A 406 -0.886 -4.224 18.007 1.00 31.24 H new ATOM 0 HB2 GLN A 406 -1.511 -2.789 20.527 1.00 42.23 H new ATOM 0 HB3 GLN A 406 -2.846 -3.686 19.832 1.00 42.23 H new ATOM 0 HG2 GLN A 406 -1.825 -5.351 21.118 1.00 44.15 H new ATOM 0 HG3 GLN A 406 -1.066 -5.629 19.563 1.00 44.15 H new ATOM 0 HE21 GLN A 406 0.533 -6.682 20.959 1.00 71.51 H new ATOM 0 HE22 GLN A 406 1.852 -5.716 21.629 1.00 71.51 H new ATOM 932 N GLY A 407 -2.001 -2.464 16.314 1.00 35.32 N ATOM 933 CA GLY A 407 -2.960 -1.930 15.362 1.00 70.45 C ATOM 934 C GLY A 407 -3.338 -0.490 15.713 1.00 41.14 C ATOM 935 O GLY A 407 -2.617 0.183 16.447 1.00 1.25 O ATOM 0 H GLY A 407 -1.062 -2.604 15.941 1.00 35.32 H new ATOM 0 HA2 GLY A 407 -2.538 -1.964 14.358 1.00 70.45 H new ATOM 0 HA3 GLY A 407 -3.855 -2.553 15.354 1.00 70.45 H new ATOM 939 N CYS A 408 -4.468 -0.059 15.171 1.00 64.54 N ATOM 940 CA CYS A 408 -4.950 1.289 15.417 1.00 21.24 C ATOM 941 C CYS A 408 -5.081 1.483 16.929 1.00 4.13 C ATOM 942 O CYS A 408 -5.825 0.760 17.590 1.00 61.04 O ATOM 943 CB CYS A 408 -6.269 1.559 14.691 1.00 11.40 C ATOM 944 SG CYS A 408 -6.623 3.327 14.377 1.00 54.03 S ATOM 0 H CYS A 408 -5.064 -0.620 14.562 1.00 64.54 H new ATOM 0 HA CYS A 408 -4.237 2.011 15.019 1.00 21.24 H new ATOM 0 HB2 CYS A 408 -6.258 1.030 13.738 1.00 11.40 H new ATOM 0 HB3 CYS A 408 -7.084 1.138 15.280 1.00 11.40 H new ATOM 949 N PRO A 409 -4.326 2.489 17.447 1.00 51.21 N ATOM 950 CA PRO A 409 -4.350 2.788 18.869 1.00 74.33 C ATOM 951 C PRO A 409 -5.642 3.511 19.255 1.00 12.00 C ATOM 952 O PRO A 409 -5.841 3.854 20.419 1.00 12.14 O ATOM 953 CB PRO A 409 -3.105 3.623 19.117 1.00 61.23 C ATOM 954 CG PRO A 409 -2.679 4.151 17.756 1.00 15.04 C ATOM 955 CD PRO A 409 -3.433 3.366 16.695 1.00 10.11 C ATOM 0 HA PRO A 409 -4.341 1.891 19.488 1.00 74.33 H new ATOM 0 HB2 PRO A 409 -3.315 4.442 19.805 1.00 61.23 H new ATOM 0 HB3 PRO A 409 -2.315 3.022 19.568 1.00 61.23 H new ATOM 0 HG2 PRO A 409 -2.900 5.215 17.673 1.00 15.04 H new ATOM 0 HG3 PRO A 409 -1.603 4.038 17.622 1.00 15.04 H new ATOM 0 HD2 PRO A 409 -3.992 4.029 16.035 1.00 10.11 H new ATOM 0 HD3 PRO A 409 -2.751 2.793 16.067 1.00 10.11 H new ATOM 963 N PHE A 410 -6.487 3.721 18.256 1.00 45.21 N ATOM 964 CA PHE A 410 -7.754 4.397 18.477 1.00 44.34 C ATOM 965 C PHE A 410 -8.876 3.389 18.732 1.00 2.25 C ATOM 966 O PHE A 410 -9.762 3.635 19.550 1.00 44.13 O ATOM 967 CB PHE A 410 -8.070 5.182 17.202 1.00 61.23 C ATOM 968 CG PHE A 410 -7.381 6.546 17.124 1.00 74.03 C ATOM 969 CD1 PHE A 410 -6.159 6.724 17.693 1.00 51.42 C ATOM 970 CD2 PHE A 410 -7.992 7.580 16.485 1.00 2.23 C ATOM 971 CE1 PHE A 410 -5.520 7.990 17.620 1.00 12.44 C ATOM 972 CE2 PHE A 410 -7.353 8.846 16.413 1.00 41.30 C ATOM 973 CZ PHE A 410 -6.131 9.025 16.982 1.00 24.41 C ATOM 0 H PHE A 410 -6.319 3.435 17.292 1.00 45.21 H new ATOM 0 HA PHE A 410 -7.682 5.048 19.348 1.00 44.34 H new ATOM 0 HB2 PHE A 410 -7.774 4.587 16.338 1.00 61.23 H new ATOM 0 HB3 PHE A 410 -9.148 5.327 17.135 1.00 61.23 H new ATOM 0 HD1 PHE A 410 -5.675 5.903 18.200 1.00 51.42 H new ATOM 0 HD2 PHE A 410 -8.962 7.438 16.033 1.00 2.23 H new ATOM 0 HE1 PHE A 410 -4.549 8.131 18.071 1.00 12.44 H new ATOM 0 HE2 PHE A 410 -7.838 9.667 15.906 1.00 41.30 H new ATOM 0 HZ PHE A 410 -5.646 9.988 16.928 1.00 24.41 H new ATOM 983 N CYS A 411 -8.802 2.276 18.019 1.00 64.45 N ATOM 984 CA CYS A 411 -9.800 1.229 18.158 1.00 11.20 C ATOM 985 C CYS A 411 -9.085 -0.070 18.533 1.00 20.32 C ATOM 986 O CYS A 411 -9.674 -1.148 18.467 1.00 24.31 O ATOM 987 CB CYS A 411 -10.638 1.073 16.887 1.00 5.41 C ATOM 988 SG CYS A 411 -9.781 1.547 15.341 1.00 50.31 S ATOM 0 H CYS A 411 -8.066 2.076 17.342 1.00 64.45 H new ATOM 0 HA CYS A 411 -10.503 1.496 18.947 1.00 11.20 H new ATOM 0 HB2 CYS A 411 -10.958 0.034 16.805 1.00 5.41 H new ATOM 0 HB3 CYS A 411 -11.540 1.678 16.986 1.00 5.41 H new ATOM 993 N ARG A 412 -7.826 0.075 18.919 1.00 62.21 N ATOM 994 CA ARG A 412 -7.024 -1.074 19.305 1.00 72.14 C ATOM 995 C ARG A 412 -7.335 -2.267 18.398 1.00 45.44 C ATOM 996 O ARG A 412 -7.421 -3.401 18.865 1.00 5.04 O ATOM 997 CB ARG A 412 -7.288 -1.466 20.760 1.00 74.54 C ATOM 998 CG ARG A 412 -6.747 -0.406 21.720 1.00 11.15 C ATOM 999 CD ARG A 412 -5.245 -0.197 21.517 1.00 31.20 C ATOM 1000 NE ARG A 412 -4.622 0.261 22.779 1.00 54.42 N ATOM 1001 CZ ARG A 412 -4.298 -0.556 23.803 1.00 2.43 C ATOM 1002 NH1 ARG A 412 -4.535 -1.882 23.723 1.00 22.23 N ATOM 1003 NH2 ARG A 412 -3.745 -0.038 24.885 1.00 53.24 N ATOM 0 H ARG A 412 -7.341 0.971 18.973 1.00 62.21 H new ATOM 0 HA ARG A 412 -5.975 -0.797 19.200 1.00 72.14 H new ATOM 0 HB2 ARG A 412 -8.359 -1.592 20.918 1.00 74.54 H new ATOM 0 HB3 ARG A 412 -6.819 -2.427 20.972 1.00 74.54 H new ATOM 0 HG2 ARG A 412 -7.273 0.535 21.562 1.00 11.15 H new ATOM 0 HG3 ARG A 412 -6.940 -0.710 22.749 1.00 11.15 H new ATOM 0 HD2 ARG A 412 -4.781 -1.127 21.190 1.00 31.20 H new ATOM 0 HD3 ARG A 412 -5.075 0.538 20.730 1.00 31.20 H new ATOM 0 HE ARG A 412 -4.425 1.257 22.881 1.00 54.42 H new ATOM 0 HH11 ARG A 412 -4.962 -2.274 22.884 1.00 22.23 H new ATOM 0 HH12 ARG A 412 -4.287 -2.492 24.502 1.00 22.23 H new ATOM 0 HH21 ARG A 412 -3.569 0.965 24.937 1.00 53.24 H new ATOM 0 HH22 ARG A 412 -3.494 -0.641 25.668 1.00 53.24 H new ATOM 1016 N CYS A 413 -7.494 -1.969 17.116 1.00 32.05 N ATOM 1017 CA CYS A 413 -7.793 -3.002 16.140 1.00 71.52 C ATOM 1018 C CYS A 413 -6.766 -2.907 15.010 1.00 52.03 C ATOM 1019 O CYS A 413 -6.397 -1.810 14.592 1.00 34.25 O ATOM 1020 CB CYS A 413 -9.227 -2.890 15.619 1.00 73.43 C ATOM 1021 SG CYS A 413 -9.680 -4.408 14.702 1.00 53.14 S ATOM 0 H CYS A 413 -7.421 -1.027 16.732 1.00 32.05 H new ATOM 0 HA CYS A 413 -7.723 -3.982 16.611 1.00 71.52 H new ATOM 0 HB2 CYS A 413 -9.914 -2.739 16.451 1.00 73.43 H new ATOM 0 HB3 CYS A 413 -9.319 -2.021 14.968 1.00 73.43 H new ATOM 0 HG CYS A 413 -10.900 -4.304 14.266 1.00 53.14 H new ATOM 1027 N GLU A 414 -6.334 -4.070 14.546 1.00 25.44 N ATOM 1028 CA GLU A 414 -5.356 -4.132 13.473 1.00 54.33 C ATOM 1029 C GLU A 414 -5.730 -3.152 12.359 1.00 43.43 C ATOM 1030 O GLU A 414 -6.900 -2.812 12.193 1.00 50.35 O ATOM 1031 CB GLU A 414 -5.227 -5.556 12.929 1.00 35.14 C ATOM 1032 CG GLU A 414 -4.504 -5.565 11.581 1.00 21.33 C ATOM 1033 CD GLU A 414 -4.223 -6.997 11.120 1.00 41.23 C ATOM 1034 OE1 GLU A 414 -4.710 -7.955 11.739 1.00 40.45 O ATOM 1035 OE2 GLU A 414 -3.470 -7.095 10.077 1.00 24.52 O ATOM 0 H GLU A 414 -6.643 -4.978 14.894 1.00 25.44 H new ATOM 0 HA GLU A 414 -4.385 -3.843 13.875 1.00 54.33 H new ATOM 0 HB2 GLU A 414 -4.681 -6.173 13.642 1.00 35.14 H new ATOM 0 HB3 GLU A 414 -6.217 -5.997 12.817 1.00 35.14 H new ATOM 0 HG2 GLU A 414 -5.111 -5.051 10.835 1.00 21.33 H new ATOM 0 HG3 GLU A 414 -3.567 -5.015 11.663 1.00 21.33 H new ATOM 1043 N ILE A 415 -4.713 -2.725 11.624 1.00 2.03 N ATOM 1044 CA ILE A 415 -4.919 -1.791 10.531 1.00 55.33 C ATOM 1045 C ILE A 415 -4.692 -2.511 9.200 1.00 34.33 C ATOM 1046 O ILE A 415 -4.005 -3.530 9.151 1.00 21.14 O ATOM 1047 CB ILE A 415 -4.045 -0.549 10.715 1.00 40.24 C ATOM 1048 CG1 ILE A 415 -3.871 -0.215 12.198 1.00 61.43 C ATOM 1049 CG2 ILE A 415 -4.602 0.636 9.922 1.00 24.22 C ATOM 1050 CD1 ILE A 415 -2.908 0.959 12.386 1.00 32.34 C ATOM 0 H ILE A 415 -3.744 -3.009 11.765 1.00 2.03 H new ATOM 0 HA ILE A 415 -5.948 -1.431 10.527 1.00 55.33 H new ATOM 0 HB ILE A 415 -3.054 -0.767 10.316 1.00 40.24 H new ATOM 0 HG12 ILE A 415 -4.839 0.030 12.635 1.00 61.43 H new ATOM 0 HG13 ILE A 415 -3.493 -1.089 12.729 1.00 61.43 H new ATOM 0 HG21 ILE A 415 -3.962 1.506 10.070 1.00 24.22 H new ATOM 0 HG22 ILE A 415 -4.631 0.383 8.862 1.00 24.22 H new ATOM 0 HG23 ILE A 415 -5.610 0.864 10.268 1.00 24.22 H new ATOM 0 HD11 ILE A 415 -2.802 1.176 13.449 1.00 32.34 H new ATOM 0 HD12 ILE A 415 -1.934 0.701 11.969 1.00 32.34 H new ATOM 0 HD13 ILE A 415 -3.301 1.837 11.874 1.00 32.34 H new ATOM 1062 N LYS A 416 -5.283 -1.954 8.154 1.00 54.14 N ATOM 1063 CA LYS A 416 -5.154 -2.531 6.826 1.00 12.42 C ATOM 1064 C LYS A 416 -4.739 -1.438 5.839 1.00 71.35 C ATOM 1065 O LYS A 416 -3.830 -1.637 5.034 1.00 3.43 O ATOM 1066 CB LYS A 416 -6.440 -3.260 6.432 1.00 62.24 C ATOM 1067 CG LYS A 416 -7.059 -3.970 7.637 1.00 35.11 C ATOM 1068 CD LYS A 416 -8.382 -4.639 7.259 1.00 73.52 C ATOM 1069 CE LYS A 416 -8.698 -5.802 8.202 1.00 63.20 C ATOM 1070 NZ LYS A 416 -9.668 -6.728 7.577 1.00 73.14 N ATOM 0 H LYS A 416 -5.853 -1.109 8.198 1.00 54.14 H new ATOM 0 HA LYS A 416 -4.370 -3.288 6.813 1.00 12.42 H new ATOM 0 HB2 LYS A 416 -7.154 -2.548 6.019 1.00 62.24 H new ATOM 0 HB3 LYS A 416 -6.225 -3.986 5.648 1.00 62.24 H new ATOM 0 HG2 LYS A 416 -6.365 -4.719 8.019 1.00 35.11 H new ATOM 0 HG3 LYS A 416 -7.227 -3.252 8.440 1.00 35.11 H new ATOM 0 HD2 LYS A 416 -9.188 -3.906 7.297 1.00 73.52 H new ATOM 0 HD3 LYS A 416 -8.330 -5.002 6.233 1.00 73.52 H new ATOM 0 HE2 LYS A 416 -7.781 -6.338 8.448 1.00 63.20 H new ATOM 0 HE3 LYS A 416 -9.104 -5.419 9.138 1.00 63.20 H new ATOM 0 HZ1 LYS A 416 -9.871 -7.511 8.231 1.00 73.14 H new ATOM 0 HZ2 LYS A 416 -10.549 -6.217 7.365 1.00 73.14 H new ATOM 0 HZ3 LYS A 416 -9.267 -7.108 6.696 1.00 73.14 H new ATOM 1083 N GLY A 417 -5.426 -0.309 5.932 1.00 45.14 N ATOM 1084 CA GLY A 417 -5.140 0.815 5.056 1.00 5.13 C ATOM 1085 C GLY A 417 -4.434 1.938 5.819 1.00 41.31 C ATOM 1086 O GLY A 417 -4.917 2.387 6.857 1.00 22.04 O ATOM 0 H GLY A 417 -6.180 -0.148 6.600 1.00 45.14 H new ATOM 0 HA2 GLY A 417 -4.515 0.485 4.227 1.00 5.13 H new ATOM 0 HA3 GLY A 417 -6.068 1.191 4.625 1.00 5.13 H new ATOM 1090 N THR A 418 -3.302 2.360 5.274 1.00 54.21 N ATOM 1091 CA THR A 418 -2.525 3.422 5.890 1.00 55.41 C ATOM 1092 C THR A 418 -1.625 4.095 4.852 1.00 23.10 C ATOM 1093 O THR A 418 -0.888 3.421 4.134 1.00 24.45 O ATOM 1094 CB THR A 418 -1.754 2.822 7.067 1.00 44.14 C ATOM 1095 OG1 THR A 418 -1.178 1.633 6.534 1.00 71.54 O ATOM 1096 CG2 THR A 418 -2.677 2.323 8.179 1.00 35.14 C ATOM 0 H THR A 418 -2.905 1.985 4.413 1.00 54.21 H new ATOM 0 HA THR A 418 -3.170 4.212 6.275 1.00 55.41 H new ATOM 0 HB THR A 418 -1.071 3.569 7.471 1.00 44.14 H new ATOM 0 HG1 THR A 418 -0.797 1.822 5.651 1.00 71.54 H new ATOM 0 HG21 THR A 418 -2.078 1.907 8.989 1.00 35.14 H new ATOM 0 HG22 THR A 418 -3.273 3.154 8.557 1.00 35.14 H new ATOM 0 HG23 THR A 418 -3.339 1.552 7.784 1.00 35.14 H new ATOM 1104 N GLU A 419 -1.714 5.416 4.805 1.00 21.04 N ATOM 1105 CA GLU A 419 -0.916 6.187 3.867 1.00 11.33 C ATOM 1106 C GLU A 419 -0.818 7.644 4.326 1.00 21.40 C ATOM 1107 O GLU A 419 -1.562 8.072 5.206 1.00 12.43 O ATOM 1108 CB GLU A 419 -1.492 6.096 2.453 1.00 71.41 C ATOM 1109 CG GLU A 419 -2.968 5.695 2.487 1.00 73.11 C ATOM 1110 CD GLU A 419 -3.826 6.812 3.085 1.00 51.14 C ATOM 1111 OE1 GLU A 419 -4.240 6.720 4.250 1.00 44.20 O ATOM 1112 OE2 GLU A 419 -4.059 7.804 2.293 1.00 70.52 O ATOM 0 H GLU A 419 -2.327 5.972 5.401 1.00 21.04 H new ATOM 0 HA GLU A 419 0.089 5.765 3.843 1.00 11.33 H new ATOM 0 HB2 GLU A 419 -1.384 7.057 1.950 1.00 71.41 H new ATOM 0 HB3 GLU A 419 -0.927 5.367 1.872 1.00 71.41 H new ATOM 0 HG2 GLU A 419 -3.311 5.469 1.477 1.00 73.11 H new ATOM 0 HG3 GLU A 419 -3.088 4.785 3.075 1.00 73.11 H new ATOM 1120 N PRO A 420 0.131 8.383 3.692 1.00 4.02 N ATOM 1121 CA PRO A 420 0.337 9.782 4.026 1.00 14.21 C ATOM 1122 C PRO A 420 -0.779 10.654 3.446 1.00 71.30 C ATOM 1123 O PRO A 420 -0.777 10.959 2.254 1.00 33.14 O ATOM 1124 CB PRO A 420 1.708 10.123 3.467 1.00 63.01 C ATOM 1125 CG PRO A 420 2.020 9.045 2.442 1.00 62.31 C ATOM 1126 CD PRO A 420 1.031 7.909 2.645 1.00 61.41 C ATOM 0 HA PRO A 420 0.303 9.967 5.100 1.00 14.21 H new ATOM 0 HB2 PRO A 420 1.707 11.111 3.007 1.00 63.01 H new ATOM 0 HB3 PRO A 420 2.459 10.140 4.257 1.00 63.01 H new ATOM 0 HG2 PRO A 420 1.940 9.445 1.431 1.00 62.31 H new ATOM 0 HG3 PRO A 420 3.042 8.687 2.563 1.00 62.31 H new ATOM 0 HD2 PRO A 420 0.488 7.688 1.726 1.00 61.41 H new ATOM 0 HD3 PRO A 420 1.538 6.992 2.944 1.00 61.41 H new ATOM 1134 N ILE A 421 -1.705 11.030 4.316 1.00 51.04 N ATOM 1135 CA ILE A 421 -2.824 11.861 3.905 1.00 73.44 C ATOM 1136 C ILE A 421 -2.591 13.295 4.382 1.00 53.41 C ATOM 1137 O ILE A 421 -1.674 13.554 5.159 1.00 25.51 O ATOM 1138 CB ILE A 421 -4.145 11.258 4.389 1.00 42.21 C ATOM 1139 CG1 ILE A 421 -4.525 11.806 5.766 1.00 24.53 C ATOM 1140 CG2 ILE A 421 -4.088 9.729 4.375 1.00 5.34 C ATOM 1141 CD1 ILE A 421 -5.304 13.116 5.640 1.00 45.33 C ATOM 0 H ILE A 421 -1.703 10.775 5.303 1.00 51.04 H new ATOM 0 HA ILE A 421 -2.895 11.894 2.818 1.00 73.44 H new ATOM 0 HB ILE A 421 -4.931 11.556 3.696 1.00 42.21 H new ATOM 0 HG12 ILE A 421 -5.127 11.071 6.300 1.00 24.53 H new ATOM 0 HG13 ILE A 421 -3.624 11.970 6.357 1.00 24.53 H new ATOM 0 HG21 ILE A 421 -5.039 9.326 4.723 1.00 5.34 H new ATOM 0 HG22 ILE A 421 -3.897 9.381 3.360 1.00 5.34 H new ATOM 0 HG23 ILE A 421 -3.288 9.389 5.032 1.00 5.34 H new ATOM 0 HD11 ILE A 421 -5.561 13.483 6.633 1.00 45.33 H new ATOM 0 HD12 ILE A 421 -4.690 13.856 5.127 1.00 45.33 H new ATOM 0 HD13 ILE A 421 -6.217 12.943 5.069 1.00 45.33 H new ATOM 1153 N ILE A 422 -3.438 14.191 3.897 1.00 50.44 N ATOM 1154 CA ILE A 422 -3.336 15.594 4.264 1.00 62.42 C ATOM 1155 C ILE A 422 -4.736 16.151 4.524 1.00 15.53 C ATOM 1156 O ILE A 422 -5.512 16.353 3.591 1.00 61.41 O ATOM 1157 CB ILE A 422 -2.552 16.370 3.203 1.00 32.53 C ATOM 1158 CG1 ILE A 422 -1.131 15.821 3.061 1.00 71.32 C ATOM 1159 CG2 ILE A 422 -2.560 17.870 3.504 1.00 21.41 C ATOM 1160 CD1 ILE A 422 -0.219 16.835 2.368 1.00 63.33 C ATOM 0 H ILE A 422 -4.198 13.973 3.253 1.00 50.44 H new ATOM 0 HA ILE A 422 -2.771 15.706 5.189 1.00 62.42 H new ATOM 0 HB ILE A 422 -3.048 16.232 2.242 1.00 32.53 H new ATOM 0 HG12 ILE A 422 -0.730 15.579 4.046 1.00 71.32 H new ATOM 0 HG13 ILE A 422 -1.151 14.894 2.489 1.00 71.32 H new ATOM 0 HG21 ILE A 422 -1.996 18.398 2.735 1.00 21.41 H new ATOM 0 HG22 ILE A 422 -3.588 18.233 3.515 1.00 21.41 H new ATOM 0 HG23 ILE A 422 -2.102 18.048 4.477 1.00 21.41 H new ATOM 0 HD11 ILE A 422 0.785 16.420 2.279 1.00 63.33 H new ATOM 0 HD12 ILE A 422 -0.609 17.056 1.375 1.00 63.33 H new ATOM 0 HD13 ILE A 422 -0.182 17.752 2.956 1.00 63.33 H new ATOM 1172 N VAL A 423 -5.018 16.386 5.798 1.00 70.34 N ATOM 1173 CA VAL A 423 -6.312 16.916 6.193 1.00 43.44 C ATOM 1174 C VAL A 423 -6.348 18.420 5.914 1.00 41.34 C ATOM 1175 O VAL A 423 -5.326 19.098 6.010 1.00 62.14 O ATOM 1176 CB VAL A 423 -6.593 16.573 7.657 1.00 52.12 C ATOM 1177 CG1 VAL A 423 -8.011 16.987 8.054 1.00 14.32 C ATOM 1178 CG2 VAL A 423 -6.361 15.085 7.925 1.00 20.14 C ATOM 0 H VAL A 423 -4.372 16.219 6.570 1.00 70.34 H new ATOM 0 HA VAL A 423 -7.108 16.457 5.607 1.00 43.44 H new ATOM 0 HB VAL A 423 -5.894 17.138 8.274 1.00 52.12 H new ATOM 0 HG11 VAL A 423 -8.185 16.732 9.099 1.00 14.32 H new ATOM 0 HG12 VAL A 423 -8.128 18.062 7.918 1.00 14.32 H new ATOM 0 HG13 VAL A 423 -8.732 16.462 7.427 1.00 14.32 H new ATOM 0 HG21 VAL A 423 -6.568 14.867 8.973 1.00 20.14 H new ATOM 0 HG22 VAL A 423 -7.025 14.494 7.294 1.00 20.14 H new ATOM 0 HG23 VAL A 423 -5.325 14.832 7.699 1.00 20.14 H new ATOM 1188 N ASP A 424 -7.536 18.898 5.574 1.00 41.32 N ATOM 1189 CA ASP A 424 -7.719 20.310 5.280 1.00 22.42 C ATOM 1190 C ASP A 424 -8.906 20.844 6.084 1.00 30.30 C ATOM 1191 O ASP A 424 -9.895 20.139 6.280 1.00 23.13 O ATOM 1192 CB ASP A 424 -8.016 20.529 3.796 1.00 42.34 C ATOM 1193 CG ASP A 424 -7.013 19.889 2.834 1.00 61.02 C ATOM 1194 OD1 ASP A 424 -7.141 18.711 2.469 1.00 61.12 O ATOM 1195 OD2 ASP A 424 -6.054 20.663 2.451 1.00 33.30 O ATOM 0 H ASP A 424 -8.382 18.333 5.495 1.00 41.32 H new ATOM 0 HA ASP A 424 -6.799 20.832 5.544 1.00 22.42 H new ATOM 0 HB2 ASP A 424 -9.008 20.135 3.578 1.00 42.34 H new ATOM 0 HB3 ASP A 424 -8.049 21.601 3.602 1.00 42.34 H new ATOM 1201 N PRO A 425 -8.766 22.118 6.539 1.00 24.51 N ATOM 1202 CA PRO A 425 -9.815 22.754 7.317 1.00 4.31 C ATOM 1203 C PRO A 425 -10.987 23.166 6.424 1.00 23.20 C ATOM 1204 O PRO A 425 -10.908 23.057 5.201 1.00 34.43 O ATOM 1205 CB PRO A 425 -9.140 23.936 7.994 1.00 10.21 C ATOM 1206 CG PRO A 425 -7.862 24.192 7.211 1.00 74.40 C ATOM 1207 CD PRO A 425 -7.609 22.982 6.326 1.00 43.31 C ATOM 0 HA PRO A 425 -10.254 22.085 8.057 1.00 4.31 H new ATOM 0 HB2 PRO A 425 -9.787 24.813 7.983 1.00 10.21 H new ATOM 0 HB3 PRO A 425 -8.920 23.714 9.038 1.00 10.21 H new ATOM 0 HG2 PRO A 425 -7.959 25.094 6.607 1.00 74.40 H new ATOM 0 HG3 PRO A 425 -7.024 24.351 7.889 1.00 74.40 H new ATOM 0 HD2 PRO A 425 -7.517 23.270 5.279 1.00 43.31 H new ATOM 0 HD3 PRO A 425 -6.682 22.478 6.600 1.00 43.31 H new ATOM 1215 N PHE A 426 -12.046 23.630 7.070 1.00 53.44 N ATOM 1216 CA PHE A 426 -13.233 24.059 6.349 1.00 32.01 C ATOM 1217 C PHE A 426 -12.995 25.397 5.647 1.00 42.24 C ATOM 1218 O PHE A 426 -13.601 25.676 4.613 1.00 2.43 O ATOM 1219 CB PHE A 426 -14.347 24.231 7.384 1.00 42.00 C ATOM 1220 CG PHE A 426 -15.580 24.965 6.854 1.00 13.44 C ATOM 1221 CD1 PHE A 426 -16.202 24.525 5.728 1.00 51.32 C ATOM 1222 CD2 PHE A 426 -16.055 26.058 7.510 1.00 3.23 C ATOM 1223 CE1 PHE A 426 -17.347 25.207 5.236 1.00 23.13 C ATOM 1224 CE2 PHE A 426 -17.199 26.740 7.019 1.00 74.22 C ATOM 1225 CZ PHE A 426 -17.821 26.300 5.892 1.00 33.32 C ATOM 0 H PHE A 426 -12.107 23.718 8.084 1.00 53.44 H new ATOM 0 HA PHE A 426 -13.493 23.322 5.589 1.00 32.01 H new ATOM 0 HB2 PHE A 426 -14.649 23.248 7.744 1.00 42.00 H new ATOM 0 HB3 PHE A 426 -13.952 24.777 8.241 1.00 42.00 H new ATOM 0 HD1 PHE A 426 -15.826 23.657 5.207 1.00 51.32 H new ATOM 0 HD2 PHE A 426 -15.561 26.407 8.405 1.00 3.23 H new ATOM 0 HE1 PHE A 426 -17.841 24.858 4.341 1.00 23.13 H new ATOM 0 HE2 PHE A 426 -17.575 27.608 7.540 1.00 74.22 H new ATOM 0 HZ PHE A 426 -18.691 26.819 5.518 1.00 33.32 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 0.043 13.595 18.646 1.00 41.03 ZN HETATM 1237 ZN ZN A1388 -8.963 3.536 14.394 1.00 1.21 ZN