USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 472 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 Single : A 40 SER OG : rot -33:sc= 0.958 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.0203 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0366) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00818 USER MOD Single : A 48 THR OG1 : rot -95:sc= 0.923 USER MOD Single : A 50 MET CE :methyl 155:sc= -0.101 (180deg=-0.847) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.054 X(o=-0.054,f=-0.0031) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 1.2 (180deg=0.893) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 84 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 7.419 5.006 -15.900 1.00 1.00 N ATOM 2 CA GLY A 39 7.465 3.824 -15.060 1.00 1.00 C ATOM 3 C GLY A 39 6.806 2.624 -15.712 1.00 1.00 C ATOM 4 O GLY A 39 7.142 1.480 -15.405 1.00 1.00 O ATOM 0 HA2 GLY A 39 8.503 3.585 -14.831 1.00 1.00 H new ATOM 0 HA3 GLY A 39 6.970 4.036 -14.112 1.00 1.00 H new ATOM 8 N SER A 40 5.864 2.885 -16.612 1.00 1.00 N ATOM 9 CA SER A 40 5.153 1.817 -17.305 1.00 1.00 C ATOM 10 C SER A 40 4.571 0.817 -16.311 1.00 1.00 C ATOM 11 O SER A 40 4.468 -0.376 -16.601 1.00 1.00 O ATOM 12 CB SER A 40 6.089 1.099 -18.279 1.00 1.00 C ATOM 13 OG SER A 40 6.820 0.077 -17.624 1.00 1.00 O ATOM 0 H SER A 40 5.575 3.826 -16.878 1.00 1.00 H new ATOM 0 HA SER A 40 4.333 2.266 -17.865 1.00 1.00 H new ATOM 0 HB2 SER A 40 5.509 0.669 -19.096 1.00 1.00 H new ATOM 0 HB3 SER A 40 6.779 1.817 -18.722 1.00 1.00 H new ATOM 0 HG SER A 40 7.001 0.346 -16.699 1.00 1.00 H new ATOM 19 N CYS A 41 4.193 1.311 -15.137 1.00 1.00 N ATOM 20 CA CYS A 41 3.623 0.462 -14.098 1.00 1.00 C ATOM 21 C CYS A 41 2.104 0.594 -14.060 1.00 1.00 C ATOM 22 O CYS A 41 1.399 -0.330 -13.653 1.00 1.00 O ATOM 23 CB CYS A 41 4.213 0.824 -12.734 1.00 1.00 C ATOM 24 SG CYS A 41 3.807 2.494 -12.174 1.00 1.00 S ATOM 0 H CYS A 41 4.271 2.295 -14.881 1.00 1.00 H new ATOM 0 HA CYS A 41 3.874 -0.573 -14.331 1.00 1.00 H new ATOM 0 HB2 CYS A 41 3.856 0.107 -11.994 1.00 1.00 H new ATOM 0 HB3 CYS A 41 5.297 0.721 -12.780 1.00 1.00 H new ATOM 0 HG CYS A 41 4.349 2.705 -11.011 1.00 1.00 H new ATOM 30 N LYS A 42 1.605 1.750 -14.485 1.00 1.00 N ATOM 31 CA LYS A 42 0.170 2.005 -14.500 1.00 1.00 C ATOM 32 C LYS A 42 -0.291 2.439 -15.888 1.00 1.00 C ATOM 33 O LYS A 42 0.057 3.523 -16.357 1.00 1.00 O ATOM 34 CB LYS A 42 -0.188 3.082 -13.473 1.00 1.00 C ATOM 35 CG LYS A 42 0.661 4.336 -13.585 1.00 1.00 C ATOM 36 CD LYS A 42 0.435 5.270 -12.408 1.00 1.00 C ATOM 37 CE LYS A 42 -0.968 5.857 -12.423 1.00 1.00 C ATOM 38 NZ LYS A 42 -1.129 6.879 -13.494 1.00 1.00 N ATOM 0 H LYS A 42 2.174 2.526 -14.824 1.00 1.00 H new ATOM 0 HA LYS A 42 -0.341 1.078 -14.240 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -1.237 3.352 -13.593 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -0.078 2.667 -12.471 1.00 1.00 H new ATOM 0 HG2 LYS A 42 1.714 4.060 -13.634 1.00 1.00 H new ATOM 0 HG3 LYS A 42 0.424 4.855 -14.513 1.00 1.00 H new ATOM 0 HD2 LYS A 42 0.593 4.727 -11.476 1.00 1.00 H new ATOM 0 HD3 LYS A 42 1.168 6.076 -12.436 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -1.695 5.058 -12.571 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -1.183 6.308 -11.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -2.049 7.351 -13.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -0.367 7.583 -13.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -1.083 6.417 -14.425 1.00 1.00 H new ATOM 52 N ILE A 43 -1.076 1.587 -16.538 1.00 1.00 N ATOM 53 CA ILE A 43 -1.586 1.884 -17.871 1.00 1.00 C ATOM 54 C ILE A 43 -2.933 2.595 -17.798 1.00 1.00 C ATOM 55 O ILE A 43 -3.831 2.203 -17.053 1.00 1.00 O ATOM 56 CB ILE A 43 -1.739 0.604 -18.713 1.00 1.00 C ATOM 57 CG1 ILE A 43 -0.395 -0.117 -18.835 1.00 1.00 C ATOM 58 CG2 ILE A 43 -2.293 0.939 -20.090 1.00 1.00 C ATOM 59 CD1 ILE A 43 0.655 0.682 -19.574 1.00 1.00 C ATOM 0 H ILE A 43 -1.373 0.686 -16.164 1.00 1.00 H new ATOM 0 HA ILE A 43 -0.857 2.539 -18.349 1.00 1.00 H new ATOM 0 HB ILE A 43 -2.442 -0.061 -18.211 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -0.026 -0.351 -17.837 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -0.546 -1.066 -19.349 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -2.395 0.024 -20.673 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -3.269 1.413 -19.984 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -1.612 1.620 -20.600 1.00 1.00 H new ATOM 0 HD11 ILE A 43 1.581 0.109 -19.622 1.00 1.00 H new ATOM 0 HD12 ILE A 43 0.306 0.894 -20.585 1.00 1.00 H new ATOM 0 HD13 ILE A 43 0.835 1.620 -19.048 1.00 1.00 H new ATOM 71 N PRO A 44 -3.080 3.666 -18.592 1.00 1.00 N ATOM 72 CA PRO A 44 -4.316 4.454 -18.638 1.00 1.00 C ATOM 73 C PRO A 44 -5.465 3.691 -19.289 1.00 1.00 C ATOM 74 O PRO A 44 -5.388 2.478 -19.480 1.00 1.00 O ATOM 75 CB PRO A 44 -3.931 5.668 -19.488 1.00 1.00 C ATOM 76 CG PRO A 44 -2.804 5.193 -20.338 1.00 1.00 C ATOM 77 CD PRO A 44 -2.052 4.190 -19.507 1.00 1.00 C ATOM 0 HA PRO A 44 -4.674 4.711 -17.641 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -4.770 6.008 -20.096 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.629 6.509 -18.864 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -3.173 4.739 -21.258 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.158 6.022 -20.628 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.622 3.400 -20.123 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.229 4.655 -18.963 1.00 1.00 H new ATOM 85 N SER A 45 -6.531 4.411 -19.627 1.00 1.00 N ATOM 86 CA SER A 45 -7.699 3.801 -20.251 1.00 1.00 C ATOM 87 C SER A 45 -7.872 4.299 -21.683 1.00 1.00 C ATOM 88 O SER A 45 -8.305 3.555 -22.562 1.00 1.00 O ATOM 89 CB SER A 45 -8.957 4.107 -19.437 1.00 1.00 C ATOM 90 OG SER A 45 -9.518 5.353 -19.814 1.00 1.00 O ATOM 0 H SER A 45 -6.609 5.417 -19.479 1.00 1.00 H new ATOM 0 HA SER A 45 -7.545 2.722 -20.276 1.00 1.00 H new ATOM 0 HB2 SER A 45 -9.691 3.315 -19.584 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.712 4.121 -18.375 1.00 1.00 H new ATOM 0 HG SER A 45 -10.322 5.525 -19.280 1.00 1.00 H new ATOM 96 N ILE A 46 -7.530 5.563 -21.908 1.00 1.00 N ATOM 97 CA ILE A 46 -7.645 6.161 -23.232 1.00 1.00 C ATOM 98 C ILE A 46 -6.599 5.592 -24.185 1.00 1.00 C ATOM 99 O ILE A 46 -6.656 5.821 -25.393 1.00 1.00 O ATOM 100 CB ILE A 46 -7.491 7.693 -23.174 1.00 1.00 C ATOM 101 CG1 ILE A 46 -8.534 8.296 -22.230 1.00 1.00 C ATOM 102 CG2 ILE A 46 -7.620 8.291 -24.566 1.00 1.00 C ATOM 103 CD1 ILE A 46 -8.259 9.739 -21.869 1.00 1.00 C ATOM 0 H ILE A 46 -7.171 6.193 -21.190 1.00 1.00 H new ATOM 0 HA ILE A 46 -8.641 5.918 -23.602 1.00 1.00 H new ATOM 0 HB ILE A 46 -6.499 7.930 -22.789 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -9.517 8.227 -22.696 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -8.572 7.702 -21.317 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -7.509 9.374 -24.509 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -6.844 7.880 -25.212 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -8.600 8.048 -24.977 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -9.038 10.101 -21.198 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -7.291 9.812 -21.374 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -8.250 10.345 -22.775 1.00 1.00 H new ATOM 115 N ALA A 47 -5.646 4.849 -23.633 1.00 1.00 N ATOM 116 CA ALA A 47 -4.591 4.241 -24.434 1.00 1.00 C ATOM 117 C ALA A 47 -4.843 2.751 -24.634 1.00 1.00 C ATOM 118 O ALA A 47 -4.141 2.089 -25.400 1.00 1.00 O ATOM 119 CB ALA A 47 -3.235 4.467 -23.781 1.00 1.00 C ATOM 0 H ALA A 47 -5.583 4.653 -22.634 1.00 1.00 H new ATOM 0 HA ALA A 47 -4.593 4.717 -25.414 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -2.457 4.007 -24.390 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -3.046 5.537 -23.697 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -3.230 4.018 -22.788 1.00 1.00 H new ATOM 125 N THR A 48 -5.848 2.227 -23.940 1.00 1.00 N ATOM 126 CA THR A 48 -6.192 0.814 -24.041 1.00 1.00 C ATOM 127 C THR A 48 -6.639 0.456 -25.453 1.00 1.00 C ATOM 128 O THR A 48 -6.082 -0.443 -26.082 1.00 1.00 O ATOM 129 CB THR A 48 -7.308 0.435 -23.049 1.00 1.00 C ATOM 130 OG1 THR A 48 -8.491 1.191 -23.331 1.00 1.00 O ATOM 131 CG2 THR A 48 -6.867 0.689 -21.615 1.00 1.00 C ATOM 0 H THR A 48 -6.438 2.760 -23.302 1.00 1.00 H new ATOM 0 HA THR A 48 -5.291 0.251 -23.795 1.00 1.00 H new ATOM 0 HB THR A 48 -7.521 -0.628 -23.164 1.00 1.00 H new ATOM 0 HG1 THR A 48 -8.518 1.983 -22.755 1.00 1.00 H new ATOM 0 HG21 THR A 48 -7.671 0.414 -20.933 1.00 1.00 H new ATOM 0 HG22 THR A 48 -5.983 0.090 -21.395 1.00 1.00 H new ATOM 0 HG23 THR A 48 -6.630 1.745 -21.489 1.00 1.00 H new ATOM 139 N GLY A 49 -7.650 1.165 -25.947 1.00 1.00 N ATOM 140 CA GLY A 49 -8.155 0.906 -27.283 1.00 1.00 C ATOM 141 C GLY A 49 -7.050 0.846 -28.319 1.00 1.00 C ATOM 142 O GLY A 49 -7.056 -0.019 -29.193 1.00 1.00 O ATOM 0 H GLY A 49 -8.128 1.914 -25.446 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -8.702 -0.037 -27.285 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -8.864 1.687 -27.558 1.00 1.00 H new ATOM 146 N MET A 50 -6.099 1.770 -28.222 1.00 1.00 N ATOM 147 CA MET A 50 -4.983 1.818 -29.159 1.00 1.00 C ATOM 148 C MET A 50 -4.149 0.544 -29.078 1.00 1.00 C ATOM 149 O MET A 50 -3.808 -0.053 -30.099 1.00 1.00 O ATOM 150 CB MET A 50 -4.102 3.036 -28.874 1.00 1.00 C ATOM 151 CG MET A 50 -4.618 4.320 -29.504 1.00 1.00 C ATOM 152 SD MET A 50 -4.056 4.534 -31.204 1.00 1.00 S ATOM 153 CE MET A 50 -5.503 3.989 -32.109 1.00 1.00 C ATOM 0 H MET A 50 -6.079 2.495 -27.505 1.00 1.00 H new ATOM 0 HA MET A 50 -5.391 1.901 -30.166 1.00 1.00 H new ATOM 0 HB2 MET A 50 -4.026 3.175 -27.796 1.00 1.00 H new ATOM 0 HB3 MET A 50 -3.095 2.840 -29.242 1.00 1.00 H new ATOM 0 HG2 MET A 50 -5.708 4.318 -29.483 1.00 1.00 H new ATOM 0 HG3 MET A 50 -4.289 5.171 -28.907 1.00 1.00 H new ATOM 0 HE1 MET A 50 -5.510 4.451 -33.096 1.00 1.00 H new ATOM 0 HE2 MET A 50 -5.478 2.905 -32.217 1.00 1.00 H new ATOM 0 HE3 MET A 50 -6.402 4.279 -31.566 1.00 1.00 H new ATOM 163 N VAL A 51 -3.824 0.131 -27.857 1.00 1.00 N ATOM 164 CA VAL A 51 -3.033 -1.075 -27.642 1.00 1.00 C ATOM 165 C VAL A 51 -3.686 -2.285 -28.300 1.00 1.00 C ATOM 166 O VAL A 51 -3.085 -2.946 -29.146 1.00 1.00 O ATOM 167 CB VAL A 51 -2.841 -1.361 -26.141 1.00 1.00 C ATOM 168 CG1 VAL A 51 -1.899 -2.538 -25.938 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.323 -0.123 -25.425 1.00 1.00 C ATOM 0 H VAL A 51 -4.097 0.614 -27.001 1.00 1.00 H new ATOM 0 HA VAL A 51 -2.058 -0.899 -28.098 1.00 1.00 H new ATOM 0 HB VAL A 51 -3.808 -1.623 -25.712 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -1.775 -2.725 -24.871 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -2.316 -3.424 -26.416 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -0.930 -2.309 -26.381 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.193 -0.343 -24.365 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.365 0.172 -25.854 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -3.039 0.691 -25.541 1.00 1.00 H new ATOM 179 N GLY A 52 -4.924 -2.570 -27.905 1.00 1.00 N ATOM 180 CA GLY A 52 -5.639 -3.701 -28.466 1.00 1.00 C ATOM 181 C GLY A 52 -5.607 -3.714 -29.982 1.00 1.00 C ATOM 182 O GLY A 52 -5.395 -4.759 -30.596 1.00 1.00 O ATOM 0 H GLY A 52 -5.444 -2.038 -27.207 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.203 -4.626 -28.089 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.675 -3.676 -28.128 1.00 1.00 H new ATOM 186 N ALA A 53 -5.819 -2.549 -30.586 1.00 1.00 N ATOM 187 CA ALA A 53 -5.812 -2.430 -32.039 1.00 1.00 C ATOM 188 C ALA A 53 -4.399 -2.571 -32.594 1.00 1.00 C ATOM 189 O ALA A 53 -4.200 -3.115 -33.682 1.00 1.00 O ATOM 190 CB ALA A 53 -6.418 -1.100 -32.462 1.00 1.00 C ATOM 0 H ALA A 53 -5.998 -1.675 -30.092 1.00 1.00 H new ATOM 0 HA ALA A 53 -6.417 -3.239 -32.449 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -6.406 -1.024 -33.549 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -7.446 -1.039 -32.105 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -5.836 -0.283 -32.035 1.00 1.00 H new ATOM 196 N LEU A 54 -3.421 -2.078 -31.843 1.00 1.00 N ATOM 197 CA LEU A 54 -2.026 -2.148 -32.261 1.00 1.00 C ATOM 198 C LEU A 54 -1.593 -3.595 -32.476 1.00 1.00 C ATOM 199 O LEU A 54 -1.002 -3.932 -33.503 1.00 1.00 O ATOM 200 CB LEU A 54 -1.126 -1.485 -31.217 1.00 1.00 C ATOM 201 CG LEU A 54 -0.864 0.009 -31.409 1.00 1.00 C ATOM 202 CD1 LEU A 54 -0.436 0.649 -30.097 1.00 1.00 C ATOM 203 CD2 LEU A 54 0.192 0.232 -32.483 1.00 1.00 C ATOM 0 H LEU A 54 -3.569 -1.625 -30.941 1.00 1.00 H new ATOM 0 HA LEU A 54 -1.929 -1.615 -33.207 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -1.574 -1.632 -30.234 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -0.167 -2.004 -31.211 1.00 1.00 H new ATOM 0 HG LEU A 54 -1.790 0.482 -31.735 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -0.254 1.712 -30.253 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -1.225 0.521 -29.355 1.00 1.00 H new ATOM 0 HD13 LEU A 54 0.478 0.173 -29.741 1.00 1.00 H new ATOM 0 HD21 LEU A 54 0.366 1.301 -32.606 1.00 1.00 H new ATOM 0 HD22 LEU A 54 1.121 -0.255 -32.186 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -0.154 -0.190 -33.426 1.00 1.00 H new ATOM 215 N LEU A 55 -1.893 -4.448 -31.503 1.00 1.00 N ATOM 216 CA LEU A 55 -1.536 -5.860 -31.585 1.00 1.00 C ATOM 217 C LEU A 55 -2.340 -6.562 -32.674 1.00 1.00 C ATOM 218 O LEU A 55 -1.784 -7.279 -33.507 1.00 1.00 O ATOM 219 CB LEU A 55 -1.773 -6.545 -30.238 1.00 1.00 C ATOM 220 CG LEU A 55 -1.414 -5.728 -28.997 1.00 1.00 C ATOM 221 CD1 LEU A 55 -1.398 -6.613 -27.761 1.00 1.00 C ATOM 222 CD2 LEU A 55 -0.068 -5.041 -29.181 1.00 1.00 C ATOM 0 H LEU A 55 -2.383 -4.186 -30.647 1.00 1.00 H new ATOM 0 HA LEU A 55 -0.478 -5.928 -31.839 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -2.825 -6.822 -30.174 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -1.198 -7.471 -30.218 1.00 1.00 H new ATOM 0 HG LEU A 55 -2.175 -4.960 -28.859 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -1.140 -6.014 -26.888 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -2.383 -7.057 -27.619 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -0.659 -7.404 -27.889 1.00 1.00 H new ATOM 0 HD21 LEU A 55 0.171 -4.464 -28.288 1.00 1.00 H new ATOM 0 HD22 LEU A 55 0.704 -5.792 -29.345 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -0.115 -4.374 -30.042 1.00 1.00 H new ATOM 234 N LEU A 56 -3.651 -6.350 -32.664 1.00 1.00 N ATOM 235 CA LEU A 56 -4.533 -6.960 -33.653 1.00 1.00 C ATOM 236 C LEU A 56 -4.018 -6.714 -35.068 1.00 1.00 C ATOM 237 O LEU A 56 -3.745 -7.656 -35.813 1.00 1.00 O ATOM 238 CB LEU A 56 -5.952 -6.407 -33.511 1.00 1.00 C ATOM 239 CG LEU A 56 -7.085 -7.361 -33.891 1.00 1.00 C ATOM 240 CD1 LEU A 56 -7.316 -8.381 -32.787 1.00 1.00 C ATOM 241 CD2 LEU A 56 -8.362 -6.585 -34.177 1.00 1.00 C ATOM 0 H LEU A 56 -4.127 -5.760 -31.982 1.00 1.00 H new ATOM 0 HA LEU A 56 -4.549 -8.035 -33.474 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -6.097 -6.096 -32.477 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -6.035 -5.512 -34.128 1.00 1.00 H new ATOM 0 HG LEU A 56 -6.797 -7.894 -34.797 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -8.126 -9.052 -33.075 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -6.405 -8.959 -32.629 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -7.583 -7.865 -31.865 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -9.158 -7.280 -34.446 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -8.654 -6.025 -33.289 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -8.190 -5.893 -35.002 1.00 1.00 H new ATOM 253 N LEU A 57 -3.886 -5.443 -35.431 1.00 1.00 N ATOM 254 CA LEU A 57 -3.402 -5.072 -36.756 1.00 1.00 C ATOM 255 C LEU A 57 -2.051 -5.720 -37.043 1.00 1.00 C ATOM 256 O LEU A 57 -1.821 -6.244 -38.134 1.00 1.00 O ATOM 257 CB LEU A 57 -3.285 -3.551 -36.870 1.00 1.00 C ATOM 258 CG LEU A 57 -4.597 -2.770 -36.794 1.00 1.00 C ATOM 259 CD1 LEU A 57 -4.348 -1.285 -37.011 1.00 1.00 C ATOM 260 CD2 LEU A 57 -5.594 -3.300 -37.814 1.00 1.00 C ATOM 0 H LEU A 57 -4.107 -4.652 -34.826 1.00 1.00 H new ATOM 0 HA LEU A 57 -4.121 -5.431 -37.492 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.628 -3.197 -36.076 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.798 -3.314 -37.816 1.00 1.00 H new ATOM 0 HG LEU A 57 -5.020 -2.905 -35.799 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -5.293 -0.745 -36.953 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -3.671 -0.913 -36.242 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.901 -1.131 -37.993 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -6.522 -2.732 -37.745 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -5.179 -3.196 -38.816 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.797 -4.352 -37.612 1.00 1.00 H new ATOM 272 N LEU A 58 -1.162 -5.683 -36.057 1.00 1.00 N ATOM 273 CA LEU A 58 0.166 -6.271 -36.202 1.00 1.00 C ATOM 274 C LEU A 58 0.070 -7.734 -36.621 1.00 1.00 C ATOM 275 O LEU A 58 0.713 -8.159 -37.581 1.00 1.00 O ATOM 276 CB LEU A 58 0.943 -6.154 -34.890 1.00 1.00 C ATOM 277 CG LEU A 58 1.781 -4.887 -34.716 1.00 1.00 C ATOM 278 CD1 LEU A 58 2.355 -4.815 -33.310 1.00 1.00 C ATOM 279 CD2 LEU A 58 2.895 -4.839 -35.752 1.00 1.00 C ATOM 0 H LEU A 58 -1.336 -5.252 -35.149 1.00 1.00 H new ATOM 0 HA LEU A 58 0.696 -5.723 -36.981 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.234 -6.212 -34.065 1.00 1.00 H new ATOM 0 HB3 LEU A 58 1.603 -7.017 -34.804 1.00 1.00 H new ATOM 0 HG LEU A 58 1.134 -4.023 -34.866 1.00 1.00 H new ATOM 0 HD11 LEU A 58 2.948 -3.907 -33.205 1.00 1.00 H new ATOM 0 HD12 LEU A 58 1.541 -4.803 -32.585 1.00 1.00 H new ATOM 0 HD13 LEU A 58 2.988 -5.684 -33.130 1.00 1.00 H new ATOM 0 HD21 LEU A 58 3.482 -3.931 -35.614 1.00 1.00 H new ATOM 0 HD22 LEU A 58 3.540 -5.709 -35.633 1.00 1.00 H new ATOM 0 HD23 LEU A 58 2.462 -4.842 -36.752 1.00 1.00 H new ATOM 291 N VAL A 59 -0.737 -8.501 -35.895 1.00 1.00 N ATOM 292 CA VAL A 59 -0.920 -9.917 -36.193 1.00 1.00 C ATOM 293 C VAL A 59 -1.615 -10.110 -37.536 1.00 1.00 C ATOM 294 O VAL A 59 -1.175 -10.906 -38.366 1.00 1.00 O ATOM 295 CB VAL A 59 -1.740 -10.620 -35.096 1.00 1.00 C ATOM 296 CG1 VAL A 59 -1.742 -12.126 -35.313 1.00 1.00 C ATOM 297 CG2 VAL A 59 -1.196 -10.272 -33.719 1.00 1.00 C ATOM 0 H VAL A 59 -1.275 -8.166 -35.096 1.00 1.00 H new ATOM 0 HA VAL A 59 0.074 -10.363 -36.234 1.00 1.00 H new ATOM 0 HB VAL A 59 -2.770 -10.267 -35.154 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -2.326 -12.606 -34.528 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -2.183 -12.353 -36.284 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.718 -12.499 -35.283 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -1.788 -10.778 -32.956 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.157 -10.595 -33.646 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -1.253 -9.194 -33.567 1.00 1.00 H new ATOM 307 N VAL A 60 -2.705 -9.378 -37.743 1.00 1.00 N ATOM 308 CA VAL A 60 -3.461 -9.467 -38.986 1.00 1.00 C ATOM 309 C VAL A 60 -2.564 -9.221 -40.194 1.00 1.00 C ATOM 310 O VAL A 60 -2.464 -10.062 -41.087 1.00 1.00 O ATOM 311 CB VAL A 60 -4.624 -8.457 -39.010 1.00 1.00 C ATOM 312 CG1 VAL A 60 -5.380 -8.543 -40.327 1.00 1.00 C ATOM 313 CG2 VAL A 60 -5.558 -8.693 -37.833 1.00 1.00 C ATOM 0 H VAL A 60 -3.084 -8.717 -37.065 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.866 -10.478 -39.038 1.00 1.00 H new ATOM 0 HB VAL A 60 -4.211 -7.452 -38.921 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -6.198 -7.822 -40.325 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -4.702 -8.320 -41.151 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -5.783 -9.548 -40.450 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.374 -7.971 -37.865 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.965 -9.703 -37.888 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -5.006 -8.575 -36.901 1.00 1.00 H new ATOM 323 N ALA A 61 -1.913 -8.062 -40.215 1.00 1.00 N ATOM 324 CA ALA A 61 -1.022 -7.706 -41.312 1.00 1.00 C ATOM 325 C ALA A 61 0.134 -8.695 -41.423 1.00 1.00 C ATOM 326 O ALA A 61 0.613 -8.984 -42.520 1.00 1.00 O ATOM 327 CB ALA A 61 -0.492 -6.292 -41.124 1.00 1.00 C ATOM 0 H ALA A 61 -1.986 -7.354 -39.484 1.00 1.00 H new ATOM 0 HA ALA A 61 -1.593 -7.748 -42.239 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.172 -6.039 -41.951 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.326 -5.591 -41.101 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.058 -6.232 -40.185 1.00 1.00 H new ATOM 333 N LEU A 62 0.577 -9.211 -40.282 1.00 1.00 N ATOM 334 CA LEU A 62 1.678 -10.167 -40.251 1.00 1.00 C ATOM 335 C LEU A 62 1.288 -11.469 -40.943 1.00 1.00 C ATOM 336 O LEU A 62 1.904 -11.869 -41.930 1.00 1.00 O ATOM 337 CB LEU A 62 2.095 -10.448 -38.807 1.00 1.00 C ATOM 338 CG LEU A 62 3.176 -9.534 -38.230 1.00 1.00 C ATOM 339 CD1 LEU A 62 3.292 -9.727 -36.726 1.00 1.00 C ATOM 340 CD2 LEU A 62 4.513 -9.794 -38.908 1.00 1.00 C ATOM 0 H LEU A 62 0.191 -8.983 -39.366 1.00 1.00 H new ATOM 0 HA LEU A 62 2.521 -9.731 -40.787 1.00 1.00 H new ATOM 0 HB2 LEU A 62 1.211 -10.376 -38.174 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.447 -11.478 -38.746 1.00 1.00 H new ATOM 0 HG LEU A 62 2.890 -8.500 -38.422 1.00 1.00 H new ATOM 0 HD11 LEU A 62 4.066 -9.068 -36.333 1.00 1.00 H new ATOM 0 HD12 LEU A 62 2.339 -9.488 -36.254 1.00 1.00 H new ATOM 0 HD13 LEU A 62 3.554 -10.763 -36.511 1.00 1.00 H new ATOM 0 HD21 LEU A 62 5.270 -9.134 -38.484 1.00 1.00 H new ATOM 0 HD22 LEU A 62 4.806 -10.832 -38.749 1.00 1.00 H new ATOM 0 HD23 LEU A 62 4.422 -9.602 -39.977 1.00 1.00 H new ATOM 352 N GLY A 63 0.258 -12.127 -40.418 1.00 1.00 N ATOM 353 CA GLY A 63 -0.199 -13.375 -41.000 1.00 1.00 C ATOM 354 C GLY A 63 -0.438 -13.266 -42.493 1.00 1.00 C ATOM 355 O GLY A 63 -0.003 -14.124 -43.262 1.00 1.00 O ATOM 0 H GLY A 63 -0.267 -11.818 -39.600 1.00 1.00 H new ATOM 0 HA2 GLY A 63 0.540 -14.153 -40.809 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -1.122 -13.685 -40.509 1.00 1.00 H new ATOM 359 N ILE A 64 -1.132 -12.210 -42.904 1.00 1.00 N ATOM 360 CA ILE A 64 -1.428 -11.994 -44.314 1.00 1.00 C ATOM 361 C ILE A 64 -0.160 -11.685 -45.102 1.00 1.00 C ATOM 362 O ILE A 64 0.069 -12.244 -46.174 1.00 1.00 O ATOM 363 CB ILE A 64 -2.432 -10.842 -44.508 1.00 1.00 C ATOM 364 CG1 ILE A 64 -3.720 -11.122 -43.731 1.00 1.00 C ATOM 365 CG2 ILE A 64 -2.732 -10.643 -45.986 1.00 1.00 C ATOM 366 CD1 ILE A 64 -4.673 -9.948 -43.696 1.00 1.00 C ATOM 0 H ILE A 64 -1.499 -11.491 -42.281 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.869 -12.918 -44.688 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.988 -9.925 -44.121 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.226 -11.977 -44.179 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.464 -11.402 -42.709 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -3.443 -9.826 -46.106 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.810 -10.403 -46.515 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -3.158 -11.558 -46.397 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.563 -10.219 -43.129 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.185 -9.097 -43.221 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.959 -9.681 -44.713 1.00 1.00 H new ATOM 378 N GLY A 65 0.664 -10.792 -44.561 1.00 1.00 N ATOM 379 CA GLY A 65 1.901 -10.427 -45.225 1.00 1.00 C ATOM 380 C GLY A 65 2.813 -11.617 -45.448 1.00 1.00 C ATOM 381 O GLY A 65 3.376 -11.783 -46.531 1.00 1.00 O ATOM 0 H GLY A 65 0.496 -10.315 -43.675 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.672 -9.964 -46.185 1.00 1.00 H new ATOM 0 HA3 GLY A 65 2.423 -9.680 -44.628 1.00 1.00 H new ATOM 385 N LEU A 66 2.962 -12.447 -44.421 1.00 1.00 N ATOM 386 CA LEU A 66 3.815 -13.627 -44.508 1.00 1.00 C ATOM 387 C LEU A 66 3.208 -14.669 -45.443 1.00 1.00 C ATOM 388 O LEU A 66 3.926 -15.440 -46.080 1.00 1.00 O ATOM 389 CB LEU A 66 4.025 -14.232 -43.119 1.00 1.00 C ATOM 390 CG LEU A 66 4.649 -13.309 -42.072 1.00 1.00 C ATOM 391 CD1 LEU A 66 4.470 -13.886 -40.677 1.00 1.00 C ATOM 392 CD2 LEU A 66 6.124 -13.082 -42.373 1.00 1.00 C ATOM 0 H LEU A 66 2.503 -12.324 -43.518 1.00 1.00 H new ATOM 0 HA LEU A 66 4.779 -13.320 -44.913 1.00 1.00 H new ATOM 0 HB2 LEU A 66 3.060 -14.574 -42.744 1.00 1.00 H new ATOM 0 HB3 LEU A 66 4.658 -15.113 -43.221 1.00 1.00 H new ATOM 0 HG LEU A 66 4.138 -12.347 -42.113 1.00 1.00 H new ATOM 0 HD11 LEU A 66 4.920 -13.215 -39.945 1.00 1.00 H new ATOM 0 HD12 LEU A 66 3.407 -13.996 -40.462 1.00 1.00 H new ATOM 0 HD13 LEU A 66 4.954 -14.861 -40.622 1.00 1.00 H new ATOM 0 HD21 LEU A 66 6.552 -12.423 -41.618 1.00 1.00 H new ATOM 0 HD22 LEU A 66 6.649 -14.037 -42.361 1.00 1.00 H new ATOM 0 HD23 LEU A 66 6.228 -12.623 -43.356 1.00 1.00 H new ATOM 404 N PHE A 67 1.882 -14.684 -45.522 1.00 1.00 N ATOM 405 CA PHE A 67 1.178 -15.631 -46.380 1.00 1.00 C ATOM 406 C PHE A 67 1.287 -15.221 -47.846 1.00 1.00 C ATOM 407 O PHE A 67 1.484 -16.061 -48.723 1.00 1.00 O ATOM 408 CB PHE A 67 -0.294 -15.724 -45.973 1.00 1.00 C ATOM 409 CG PHE A 67 -0.968 -16.981 -46.443 1.00 1.00 C ATOM 410 CD1 PHE A 67 -0.700 -18.196 -45.833 1.00 1.00 C ATOM 411 CD2 PHE A 67 -1.869 -16.949 -47.495 1.00 1.00 C ATOM 412 CE1 PHE A 67 -1.318 -19.355 -46.264 1.00 1.00 C ATOM 413 CE2 PHE A 67 -2.490 -18.104 -47.931 1.00 1.00 C ATOM 414 CZ PHE A 67 -2.215 -19.308 -47.313 1.00 1.00 C ATOM 0 H PHE A 67 1.273 -14.052 -45.003 1.00 1.00 H new ATOM 0 HA PHE A 67 1.644 -16.609 -46.258 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -0.367 -15.667 -44.887 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -0.829 -14.863 -46.374 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.000 -18.238 -45.011 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -2.089 -16.010 -47.980 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.100 -20.296 -45.781 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -3.189 -18.065 -48.753 1.00 1.00 H new ATOM 0 HZ PHE A 67 -2.701 -20.212 -47.650 1.00 1.00 H new ATOM 424 N MET A 68 1.156 -13.923 -48.102 1.00 1.00 N ATOM 425 CA MET A 68 1.239 -13.401 -49.461 1.00 1.00 C ATOM 426 C MET A 68 2.663 -13.505 -49.997 1.00 1.00 C ATOM 427 O MET A 68 2.907 -13.285 -51.184 1.00 1.00 O ATOM 428 CB MET A 68 0.772 -11.945 -49.501 1.00 1.00 C ATOM 429 CG MET A 68 -0.645 -11.747 -48.986 1.00 1.00 C ATOM 430 SD MET A 68 -1.887 -11.947 -50.278 1.00 1.00 S ATOM 431 CE MET A 68 -3.058 -13.026 -49.458 1.00 1.00 C ATOM 0 H MET A 68 0.992 -13.214 -47.387 1.00 1.00 H new ATOM 0 HA MET A 68 0.586 -14.002 -50.094 1.00 1.00 H new ATOM 0 HB2 MET A 68 1.454 -11.337 -48.907 1.00 1.00 H new ATOM 0 HB3 MET A 68 0.831 -11.581 -50.527 1.00 1.00 H new ATOM 0 HG2 MET A 68 -0.840 -12.461 -48.186 1.00 1.00 H new ATOM 0 HG3 MET A 68 -0.734 -10.751 -48.553 1.00 1.00 H new ATOM 0 HE1 MET A 68 -3.887 -13.242 -50.132 1.00 1.00 H new ATOM 0 HE2 MET A 68 -2.563 -13.957 -49.182 1.00 1.00 H new ATOM 0 HE3 MET A 68 -3.437 -12.537 -48.561 1.00 1.00 H new ATOM 441 N ARG A 69 3.600 -13.839 -49.116 1.00 1.00 N ATOM 442 CA ARG A 69 5.000 -13.968 -49.500 1.00 1.00 C ATOM 443 C ARG A 69 5.148 -14.869 -50.723 1.00 1.00 C ATOM 444 O ARG A 69 6.081 -14.715 -51.511 1.00 1.00 O ATOM 445 CB ARG A 69 5.821 -14.529 -48.338 1.00 1.00 C ATOM 446 CG ARG A 69 6.100 -13.512 -47.243 1.00 1.00 C ATOM 447 CD ARG A 69 6.921 -14.118 -46.116 1.00 1.00 C ATOM 448 NE ARG A 69 7.696 -13.109 -45.399 1.00 1.00 N ATOM 449 CZ ARG A 69 8.761 -13.390 -44.656 1.00 1.00 C ATOM 450 NH1 ARG A 69 9.175 -14.644 -44.533 1.00 1.00 N ATOM 451 NH2 ARG A 69 9.414 -12.416 -44.035 1.00 1.00 N ATOM 0 H ARG A 69 3.415 -14.025 -48.130 1.00 1.00 H new ATOM 0 HA ARG A 69 5.373 -12.976 -49.754 1.00 1.00 H new ATOM 0 HB2 ARG A 69 5.291 -15.379 -47.907 1.00 1.00 H new ATOM 0 HB3 ARG A 69 6.769 -14.906 -48.722 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.632 -12.659 -47.664 1.00 1.00 H new ATOM 0 HG3 ARG A 69 5.157 -13.135 -46.846 1.00 1.00 H new ATOM 0 HD2 ARG A 69 6.257 -14.629 -45.418 1.00 1.00 H new ATOM 0 HD3 ARG A 69 7.596 -14.871 -46.523 1.00 1.00 H new ATOM 0 HE ARG A 69 7.403 -12.135 -45.473 1.00 1.00 H new ATOM 0 HH11 ARG A 69 8.676 -15.395 -45.009 1.00 1.00 H new ATOM 0 HH12 ARG A 69 9.993 -14.857 -43.962 1.00 1.00 H new ATOM 0 HH21 ARG A 69 9.098 -11.450 -44.128 1.00 1.00 H new ATOM 0 HH22 ARG A 69 10.231 -12.633 -43.465 1.00 1.00 H new ATOM 465 N ARG A 70 4.221 -15.810 -50.873 1.00 1.00 N ATOM 466 CA ARG A 70 4.250 -16.738 -51.998 1.00 1.00 C ATOM 467 C ARG A 70 4.046 -15.998 -53.317 1.00 1.00 C ATOM 468 O ARG A 70 4.678 -16.319 -54.323 1.00 1.00 O ATOM 469 CB ARG A 70 3.171 -17.809 -51.829 1.00 1.00 C ATOM 470 CG ARG A 70 3.166 -18.458 -50.455 1.00 1.00 C ATOM 471 CD ARG A 70 2.398 -19.770 -50.461 1.00 1.00 C ATOM 472 NE ARG A 70 0.982 -19.575 -50.759 1.00 1.00 N ATOM 473 CZ ARG A 70 0.085 -20.555 -50.743 1.00 1.00 C ATOM 474 NH1 ARG A 70 0.456 -21.792 -50.446 1.00 1.00 N ATOM 475 NH2 ARG A 70 -1.185 -20.297 -51.026 1.00 1.00 N ATOM 0 H ARG A 70 3.441 -15.950 -50.230 1.00 1.00 H new ATOM 0 HA ARG A 70 5.229 -17.218 -52.018 1.00 1.00 H new ATOM 0 HB2 ARG A 70 2.195 -17.361 -52.013 1.00 1.00 H new ATOM 0 HB3 ARG A 70 3.315 -18.581 -52.585 1.00 1.00 H new ATOM 0 HG2 ARG A 70 4.192 -18.637 -50.132 1.00 1.00 H new ATOM 0 HG3 ARG A 70 2.719 -17.777 -49.731 1.00 1.00 H new ATOM 0 HD2 ARG A 70 2.835 -20.442 -51.200 1.00 1.00 H new ATOM 0 HD3 ARG A 70 2.501 -20.254 -49.490 1.00 1.00 H new ATOM 0 HE ARG A 70 0.664 -18.634 -50.992 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.432 -21.993 -50.229 1.00 1.00 H new ATOM 0 HH12 ARG A 70 -0.235 -22.543 -50.434 1.00 1.00 H new ATOM 0 HH21 ARG A 70 -1.473 -19.346 -51.256 1.00 1.00 H new ATOM 0 HH22 ARG A 70 -1.873 -21.050 -51.014 1.00 1.00 H new ATOM 489 N ARG A 71 3.159 -15.009 -53.304 1.00 1.00 N ATOM 490 CA ARG A 71 2.870 -14.225 -54.499 1.00 1.00 C ATOM 491 C ARG A 71 3.804 -13.022 -54.599 1.00 1.00 C ATOM 492 O ARG A 71 4.120 -12.558 -55.695 1.00 1.00 O ATOM 493 CB ARG A 71 1.414 -13.756 -54.488 1.00 1.00 C ATOM 494 CG ARG A 71 0.455 -14.729 -55.154 1.00 1.00 C ATOM 495 CD ARG A 71 -0.993 -14.383 -54.844 1.00 1.00 C ATOM 496 NE ARG A 71 -1.501 -13.325 -55.712 1.00 1.00 N ATOM 497 CZ ARG A 71 -2.794 -13.084 -55.898 1.00 1.00 C ATOM 498 NH1 ARG A 71 -3.705 -13.822 -55.278 1.00 1.00 N ATOM 499 NH2 ARG A 71 -3.178 -12.102 -56.704 1.00 1.00 N ATOM 0 H ARG A 71 2.628 -14.731 -52.479 1.00 1.00 H new ATOM 0 HA ARG A 71 3.032 -14.862 -55.369 1.00 1.00 H new ATOM 0 HB2 ARG A 71 1.100 -13.598 -53.456 1.00 1.00 H new ATOM 0 HB3 ARG A 71 1.348 -12.792 -54.992 1.00 1.00 H new ATOM 0 HG2 ARG A 71 0.611 -14.715 -56.233 1.00 1.00 H new ATOM 0 HG3 ARG A 71 0.669 -15.742 -54.815 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -1.611 -15.274 -54.958 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -1.076 -14.069 -53.803 1.00 1.00 H new ATOM 0 HE ARG A 71 -0.826 -12.739 -56.203 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.413 -14.577 -54.657 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -4.697 -13.635 -55.422 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -2.480 -11.532 -57.181 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -4.171 -11.918 -56.846 1.00 1.00 H new ATOM 513 N HIS A 72 4.240 -12.521 -53.447 1.00 1.00 N ATOM 514 CA HIS A 72 5.137 -11.372 -53.405 1.00 1.00 C ATOM 515 C HIS A 72 6.487 -11.712 -54.029 1.00 1.00 C ATOM 516 O HIS A 72 7.286 -10.824 -54.325 1.00 1.00 O ATOM 517 CB HIS A 72 5.332 -10.904 -51.963 1.00 1.00 C ATOM 518 CG HIS A 72 4.346 -9.863 -51.531 1.00 1.00 C ATOM 519 ND1 HIS A 72 3.599 -9.966 -50.377 1.00 1.00 N ATOM 520 CD2 HIS A 72 3.987 -8.691 -52.107 1.00 1.00 C ATOM 521 CE1 HIS A 72 2.821 -8.904 -50.262 1.00 1.00 C ATOM 522 NE2 HIS A 72 3.038 -8.115 -51.298 1.00 1.00 N ATOM 0 H HIS A 72 3.987 -12.892 -52.531 1.00 1.00 H new ATOM 0 HA HIS A 72 4.683 -10.567 -53.983 1.00 1.00 H new ATOM 0 HB2 HIS A 72 5.255 -11.764 -51.297 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.340 -10.505 -51.853 1.00 1.00 H new ATOM 0 HD2 HIS A 72 4.374 -8.285 -53.030 1.00 1.00 H new ATOM 0 HE1 HIS A 72 2.126 -8.714 -49.457 1.00 1.00 H new ATOM 0 HE2 HIS A 72 2.576 -7.222 -51.470 1.00 1.00 H new ATOM 530 N ILE A 73 6.733 -13.003 -54.227 1.00 1.00 N ATOM 531 CA ILE A 73 7.986 -13.460 -54.815 1.00 1.00 C ATOM 532 C ILE A 73 8.306 -12.691 -56.093 1.00 1.00 C ATOM 533 O ILE A 73 9.471 -12.504 -56.442 1.00 1.00 O ATOM 534 CB ILE A 73 7.943 -14.966 -55.132 1.00 1.00 C ATOM 535 CG1 ILE A 73 7.657 -15.769 -53.862 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.253 -15.412 -55.763 1.00 1.00 C ATOM 537 CD1 ILE A 73 8.613 -15.469 -52.729 1.00 1.00 C ATOM 0 H ILE A 73 6.081 -13.751 -53.989 1.00 1.00 H new ATOM 0 HA ILE A 73 8.767 -13.275 -54.077 1.00 1.00 H new ATOM 0 HB ILE A 73 7.138 -15.149 -55.844 1.00 1.00 H new ATOM 0 HG12 ILE A 73 6.639 -15.561 -53.532 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.706 -16.833 -54.096 1.00 1.00 H new ATOM 0 HG21 ILE A 73 9.207 -16.479 -55.981 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.418 -14.859 -56.688 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.074 -15.218 -55.073 1.00 1.00 H new ATOM 0 HD11 ILE A 73 8.350 -16.074 -51.861 1.00 1.00 H new ATOM 0 HD12 ILE A 73 9.631 -15.704 -53.040 1.00 1.00 H new ATOM 0 HD13 ILE A 73 8.548 -14.413 -52.468 1.00 1.00 H new ATOM 549 N VAL A 74 7.262 -12.247 -56.786 1.00 1.00 N ATOM 550 CA VAL A 74 7.431 -11.494 -58.024 1.00 1.00 C ATOM 551 C VAL A 74 8.147 -10.172 -57.769 1.00 1.00 C ATOM 552 O VAL A 74 8.136 -9.654 -56.653 1.00 1.00 O ATOM 553 CB VAL A 74 6.076 -11.210 -58.697 1.00 1.00 C ATOM 554 CG1 VAL A 74 6.281 -10.690 -60.112 1.00 1.00 C ATOM 555 CG2 VAL A 74 5.210 -12.461 -58.700 1.00 1.00 C ATOM 0 H VAL A 74 6.291 -12.395 -56.512 1.00 1.00 H new ATOM 0 HA VAL A 74 8.036 -12.109 -58.689 1.00 1.00 H new ATOM 0 HB VAL A 74 5.560 -10.440 -58.124 1.00 1.00 H new ATOM 0 HG11 VAL A 74 5.312 -10.495 -60.572 1.00 1.00 H new ATOM 0 HG12 VAL A 74 6.860 -9.767 -60.080 1.00 1.00 H new ATOM 0 HG13 VAL A 74 6.818 -11.435 -60.699 1.00 1.00 H new ATOM 0 HG21 VAL A 74 4.256 -12.242 -59.180 1.00 1.00 H new ATOM 0 HG22 VAL A 74 5.718 -13.254 -59.249 1.00 1.00 H new ATOM 0 HG23 VAL A 74 5.035 -12.785 -57.674 1.00 1.00 H new ATOM 565 N ARG A 75 8.768 -9.632 -58.813 1.00 1.00 N ATOM 566 CA ARG A 75 9.489 -8.370 -58.703 1.00 1.00 C ATOM 567 C ARG A 75 8.636 -7.315 -58.005 1.00 1.00 C ATOM 568 O ARG A 75 7.708 -6.761 -58.596 1.00 1.00 O ATOM 569 CB ARG A 75 9.903 -7.872 -60.089 1.00 1.00 C ATOM 570 CG ARG A 75 10.827 -8.826 -60.828 1.00 1.00 C ATOM 571 CD ARG A 75 10.820 -8.560 -62.325 1.00 1.00 C ATOM 572 NE ARG A 75 11.423 -7.272 -62.655 1.00 1.00 N ATOM 573 CZ ARG A 75 11.477 -6.780 -63.888 1.00 1.00 C ATOM 574 NH1 ARG A 75 10.966 -7.465 -64.902 1.00 1.00 N ATOM 575 NH2 ARG A 75 12.043 -5.600 -64.109 1.00 1.00 N ATOM 0 H ARG A 75 8.786 -10.049 -59.744 1.00 1.00 H new ATOM 0 HA ARG A 75 10.383 -8.543 -58.105 1.00 1.00 H new ATOM 0 HB2 ARG A 75 9.008 -7.708 -60.689 1.00 1.00 H new ATOM 0 HB3 ARG A 75 10.398 -6.907 -59.986 1.00 1.00 H new ATOM 0 HG2 ARG A 75 11.842 -8.722 -60.444 1.00 1.00 H new ATOM 0 HG3 ARG A 75 10.518 -9.854 -60.638 1.00 1.00 H new ATOM 0 HD2 ARG A 75 11.361 -9.355 -62.837 1.00 1.00 H new ATOM 0 HD3 ARG A 75 9.794 -8.585 -62.693 1.00 1.00 H new ATOM 0 HE ARG A 75 11.825 -6.720 -61.898 1.00 1.00 H new ATOM 0 HH11 ARG A 75 10.530 -8.372 -64.736 1.00 1.00 H new ATOM 0 HH12 ARG A 75 11.009 -7.085 -65.847 1.00 1.00 H new ATOM 0 HH21 ARG A 75 12.437 -5.070 -63.332 1.00 1.00 H new ATOM 0 HH22 ARG A 75 12.084 -5.223 -65.056 1.00 1.00 H new ATOM 589 N LYS A 76 8.954 -7.042 -56.745 1.00 1.00 N ATOM 590 CA LYS A 76 8.218 -6.054 -55.965 1.00 1.00 C ATOM 591 C LYS A 76 8.338 -4.668 -56.591 1.00 1.00 C ATOM 592 O LYS A 76 7.528 -3.781 -56.318 1.00 1.00 O ATOM 593 CB LYS A 76 8.735 -6.021 -54.525 1.00 1.00 C ATOM 594 CG LYS A 76 8.466 -7.301 -53.753 1.00 1.00 C ATOM 595 CD LYS A 76 9.751 -7.913 -53.223 1.00 1.00 C ATOM 596 CE LYS A 76 9.681 -9.432 -53.208 1.00 1.00 C ATOM 597 NZ LYS A 76 9.949 -10.013 -54.553 1.00 1.00 N ATOM 0 H LYS A 76 9.718 -7.492 -56.241 1.00 1.00 H new ATOM 0 HA LYS A 76 7.167 -6.342 -55.960 1.00 1.00 H new ATOM 0 HB2 LYS A 76 9.809 -5.833 -54.537 1.00 1.00 H new ATOM 0 HB3 LYS A 76 8.271 -5.186 -54.000 1.00 1.00 H new ATOM 0 HG2 LYS A 76 7.792 -7.091 -52.922 1.00 1.00 H new ATOM 0 HG3 LYS A 76 7.960 -8.018 -54.400 1.00 1.00 H new ATOM 0 HD2 LYS A 76 10.590 -7.593 -53.841 1.00 1.00 H new ATOM 0 HD3 LYS A 76 9.940 -7.547 -52.214 1.00 1.00 H new ATOM 0 HE2 LYS A 76 10.406 -9.822 -52.493 1.00 1.00 H new ATOM 0 HE3 LYS A 76 8.695 -9.747 -52.866 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 10.371 -10.957 -54.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 9.057 -10.091 -55.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 10.607 -9.397 -55.072 1.00 1.00 H new ATOM 611 N ARG A 77 9.351 -4.489 -57.433 1.00 1.00 N ATOM 612 CA ARG A 77 9.576 -3.211 -58.097 1.00 1.00 C ATOM 613 C ARG A 77 8.339 -2.779 -58.878 1.00 1.00 C ATOM 614 O ARG A 77 8.043 -1.589 -58.987 1.00 1.00 O ATOM 615 CB ARG A 77 10.779 -3.306 -59.037 1.00 1.00 C ATOM 616 CG ARG A 77 12.097 -2.933 -58.379 1.00 1.00 C ATOM 617 CD ARG A 77 13.279 -3.239 -59.287 1.00 1.00 C ATOM 618 NE ARG A 77 13.638 -2.095 -60.121 1.00 1.00 N ATOM 619 CZ ARG A 77 14.352 -1.063 -59.686 1.00 1.00 C ATOM 620 NH1 ARG A 77 14.781 -1.031 -58.432 1.00 1.00 N ATOM 621 NH2 ARG A 77 14.638 -0.060 -60.506 1.00 1.00 N ATOM 0 H ARG A 77 10.029 -5.213 -57.671 1.00 1.00 H new ATOM 0 HA ARG A 77 9.780 -2.463 -57.331 1.00 1.00 H new ATOM 0 HB2 ARG A 77 10.850 -4.324 -59.421 1.00 1.00 H new ATOM 0 HB3 ARG A 77 10.613 -2.653 -59.894 1.00 1.00 H new ATOM 0 HG2 ARG A 77 12.093 -1.872 -58.130 1.00 1.00 H new ATOM 0 HG3 ARG A 77 12.205 -3.480 -57.442 1.00 1.00 H new ATOM 0 HD2 ARG A 77 14.137 -3.529 -58.680 1.00 1.00 H new ATOM 0 HD3 ARG A 77 13.037 -4.090 -59.924 1.00 1.00 H new ATOM 0 HE ARG A 77 13.323 -2.088 -61.091 1.00 1.00 H new ATOM 0 HH11 ARG A 77 14.563 -1.800 -57.799 1.00 1.00 H new ATOM 0 HH12 ARG A 77 15.329 -0.237 -58.101 1.00 1.00 H new ATOM 0 HH21 ARG A 77 14.309 -0.081 -61.471 1.00 1.00 H new ATOM 0 HH22 ARG A 77 15.186 0.732 -60.171 1.00 1.00 H new ATOM 635 N THR A 78 7.618 -3.755 -59.423 1.00 1.00 N ATOM 636 CA THR A 78 6.415 -3.477 -60.197 1.00 1.00 C ATOM 637 C THR A 78 5.456 -2.582 -59.420 1.00 1.00 C ATOM 638 O THR A 78 4.729 -1.778 -60.005 1.00 1.00 O ATOM 639 CB THR A 78 5.686 -4.776 -60.588 1.00 1.00 C ATOM 640 OG1 THR A 78 4.574 -4.476 -61.439 1.00 1.00 O ATOM 641 CG2 THR A 78 5.199 -5.516 -59.351 1.00 1.00 C ATOM 0 H THR A 78 7.847 -4.746 -59.342 1.00 1.00 H new ATOM 0 HA THR A 78 6.734 -2.962 -61.103 1.00 1.00 H new ATOM 0 HB THR A 78 6.389 -5.415 -61.121 1.00 1.00 H new ATOM 0 HG1 THR A 78 4.116 -5.307 -61.685 1.00 1.00 H new ATOM 0 HG21 THR A 78 4.687 -6.430 -59.652 1.00 1.00 H new ATOM 0 HG22 THR A 78 6.051 -5.768 -58.719 1.00 1.00 H new ATOM 0 HG23 THR A 78 4.510 -4.881 -58.795 1.00 1.00 H new ATOM 649 N LEU A 79 5.459 -2.727 -58.099 1.00 1.00 N ATOM 650 CA LEU A 79 4.588 -1.930 -57.241 1.00 1.00 C ATOM 651 C LEU A 79 5.077 -0.488 -57.157 1.00 1.00 C ATOM 652 O LEU A 79 4.290 0.452 -57.265 1.00 1.00 O ATOM 653 CB LEU A 79 4.524 -2.541 -55.840 1.00 1.00 C ATOM 654 CG LEU A 79 3.479 -3.639 -55.634 1.00 1.00 C ATOM 655 CD1 LEU A 79 2.075 -3.073 -55.776 1.00 1.00 C ATOM 656 CD2 LEU A 79 3.699 -4.777 -56.620 1.00 1.00 C ATOM 0 H LEU A 79 6.054 -3.388 -57.599 1.00 1.00 H new ATOM 0 HA LEU A 79 3.589 -1.930 -57.678 1.00 1.00 H new ATOM 0 HB2 LEU A 79 5.505 -2.951 -55.599 1.00 1.00 H new ATOM 0 HB3 LEU A 79 4.328 -1.742 -55.125 1.00 1.00 H new ATOM 0 HG LEU A 79 3.589 -4.034 -54.624 1.00 1.00 H new ATOM 0 HD11 LEU A 79 1.345 -3.869 -55.626 1.00 1.00 H new ATOM 0 HD12 LEU A 79 1.920 -2.293 -55.030 1.00 1.00 H new ATOM 0 HD13 LEU A 79 1.952 -2.651 -56.773 1.00 1.00 H new ATOM 0 HD21 LEU A 79 2.946 -5.549 -56.459 1.00 1.00 H new ATOM 0 HD22 LEU A 79 3.617 -4.397 -57.638 1.00 1.00 H new ATOM 0 HD23 LEU A 79 4.692 -5.201 -56.470 1.00 1.00 H new ATOM 668 N ARG A 80 6.382 -0.321 -56.967 1.00 1.00 N ATOM 669 CA ARG A 80 6.976 1.007 -56.869 1.00 1.00 C ATOM 670 C ARG A 80 6.822 1.769 -58.182 1.00 1.00 C ATOM 671 O ARG A 80 6.592 2.979 -58.185 1.00 1.00 O ATOM 672 CB ARG A 80 8.457 0.900 -56.500 1.00 1.00 C ATOM 673 CG ARG A 80 8.697 0.391 -55.088 1.00 1.00 C ATOM 674 CD ARG A 80 8.629 1.519 -54.070 1.00 1.00 C ATOM 675 NE ARG A 80 9.885 2.260 -53.989 1.00 1.00 N ATOM 676 CZ ARG A 80 10.030 3.388 -53.303 1.00 1.00 C ATOM 677 NH1 ARG A 80 9.002 3.902 -52.642 1.00 1.00 N ATOM 678 NH2 ARG A 80 11.205 4.004 -53.278 1.00 1.00 N ATOM 0 H ARG A 80 7.048 -1.089 -56.878 1.00 1.00 H new ATOM 0 HA ARG A 80 6.452 1.556 -56.086 1.00 1.00 H new ATOM 0 HB2 ARG A 80 8.952 0.233 -57.207 1.00 1.00 H new ATOM 0 HB3 ARG A 80 8.921 1.880 -56.608 1.00 1.00 H new ATOM 0 HG2 ARG A 80 7.954 -0.368 -54.842 1.00 1.00 H new ATOM 0 HG3 ARG A 80 9.673 -0.090 -55.035 1.00 1.00 H new ATOM 0 HD2 ARG A 80 7.822 2.201 -54.338 1.00 1.00 H new ATOM 0 HD3 ARG A 80 8.386 1.108 -53.090 1.00 1.00 H new ATOM 0 HE ARG A 80 10.695 1.891 -54.487 1.00 1.00 H new ATOM 0 HH11 ARG A 80 8.097 3.431 -52.660 1.00 1.00 H new ATOM 0 HH12 ARG A 80 9.116 4.768 -52.116 1.00 1.00 H new ATOM 0 HH21 ARG A 80 11.998 3.611 -53.786 1.00 1.00 H new ATOM 0 HH22 ARG A 80 11.316 4.870 -52.751 1.00 1.00 H new ATOM 692 N ARG A 81 6.950 1.054 -59.295 1.00 1.00 N ATOM 693 CA ARG A 81 6.826 1.663 -60.613 1.00 1.00 C ATOM 694 C ARG A 81 5.367 1.976 -60.933 1.00 1.00 C ATOM 695 O ARG A 81 5.027 3.103 -61.295 1.00 1.00 O ATOM 696 CB ARG A 81 7.406 0.737 -61.683 1.00 1.00 C ATOM 697 CG ARG A 81 8.921 0.804 -61.790 1.00 1.00 C ATOM 698 CD ARG A 81 9.384 2.158 -62.303 1.00 1.00 C ATOM 699 NE ARG A 81 10.769 2.124 -62.767 1.00 1.00 N ATOM 700 CZ ARG A 81 11.155 1.513 -63.881 1.00 1.00 C ATOM 701 NH1 ARG A 81 10.266 0.889 -64.642 1.00 1.00 N ATOM 702 NH2 ARG A 81 12.433 1.526 -64.237 1.00 1.00 N ATOM 0 H ARG A 81 7.140 0.052 -59.310 1.00 1.00 H new ATOM 0 HA ARG A 81 7.387 2.597 -60.607 1.00 1.00 H new ATOM 0 HB2 ARG A 81 7.111 -0.289 -61.463 1.00 1.00 H new ATOM 0 HB3 ARG A 81 6.970 0.994 -62.649 1.00 1.00 H new ATOM 0 HG2 ARG A 81 9.365 0.613 -60.813 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.275 0.020 -62.459 1.00 1.00 H new ATOM 0 HD2 ARG A 81 8.736 2.477 -63.119 1.00 1.00 H new ATOM 0 HD3 ARG A 81 9.286 2.899 -61.510 1.00 1.00 H new ATOM 0 HE ARG A 81 11.478 2.595 -62.205 1.00 1.00 H new ATOM 0 HH11 ARG A 81 9.282 0.877 -64.372 1.00 1.00 H new ATOM 0 HH12 ARG A 81 10.566 0.421 -65.497 1.00 1.00 H new ATOM 0 HH21 ARG A 81 13.120 2.006 -63.655 1.00 1.00 H new ATOM 0 HH22 ARG A 81 12.729 1.056 -65.093 1.00 1.00 H new ATOM 716 N LEU A 82 4.509 0.971 -60.798 1.00 1.00 N ATOM 717 CA LEU A 82 3.086 1.138 -61.073 1.00 1.00 C ATOM 718 C LEU A 82 2.477 2.203 -60.167 1.00 1.00 C ATOM 719 O LEU A 82 1.482 2.838 -60.519 1.00 1.00 O ATOM 720 CB LEU A 82 2.351 -0.190 -60.884 1.00 1.00 C ATOM 721 CG LEU A 82 2.499 -1.207 -62.017 1.00 1.00 C ATOM 722 CD1 LEU A 82 2.263 -2.618 -61.502 1.00 1.00 C ATOM 723 CD2 LEU A 82 1.538 -0.884 -63.152 1.00 1.00 C ATOM 0 H LEU A 82 4.774 0.032 -60.500 1.00 1.00 H new ATOM 0 HA LEU A 82 2.977 1.463 -62.108 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.705 -0.650 -59.961 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.290 0.021 -60.748 1.00 1.00 H new ATOM 0 HG LEU A 82 3.517 -1.148 -62.402 1.00 1.00 H new ATOM 0 HD11 LEU A 82 2.372 -3.328 -62.322 1.00 1.00 H new ATOM 0 HD12 LEU A 82 2.991 -2.848 -60.724 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.256 -2.692 -61.091 1.00 1.00 H new ATOM 0 HD21 LEU A 82 1.657 -1.618 -63.949 1.00 1.00 H new ATOM 0 HD22 LEU A 82 0.514 -0.914 -62.781 1.00 1.00 H new ATOM 0 HD23 LEU A 82 1.754 0.112 -63.540 1.00 1.00 H new ATOM 735 N LEU A 83 3.082 2.395 -59.000 1.00 1.00 N ATOM 736 CA LEU A 83 2.600 3.385 -58.042 1.00 1.00 C ATOM 737 C LEU A 83 2.814 4.800 -58.568 1.00 1.00 C ATOM 738 O LEU A 83 1.890 5.613 -58.582 1.00 1.00 O ATOM 739 CB LEU A 83 3.312 3.213 -56.700 1.00 1.00 C ATOM 740 CG LEU A 83 2.646 2.265 -55.702 1.00 1.00 C ATOM 741 CD1 LEU A 83 3.569 1.994 -54.525 1.00 1.00 C ATOM 742 CD2 LEU A 83 1.321 2.840 -55.223 1.00 1.00 C ATOM 0 H LEU A 83 3.907 1.879 -58.694 1.00 1.00 H new ATOM 0 HA LEU A 83 1.531 3.228 -57.901 1.00 1.00 H new ATOM 0 HB2 LEU A 83 4.323 2.854 -56.892 1.00 1.00 H new ATOM 0 HB3 LEU A 83 3.405 4.193 -56.233 1.00 1.00 H new ATOM 0 HG LEU A 83 2.447 1.319 -56.206 1.00 1.00 H new ATOM 0 HD11 LEU A 83 3.078 1.318 -53.826 1.00 1.00 H new ATOM 0 HD12 LEU A 83 4.492 1.538 -54.884 1.00 1.00 H new ATOM 0 HD13 LEU A 83 3.800 2.932 -54.021 1.00 1.00 H new ATOM 0 HD21 LEU A 83 0.861 2.152 -54.514 1.00 1.00 H new ATOM 0 HD22 LEU A 83 1.495 3.800 -54.737 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.656 2.981 -56.075 1.00 1.00 H new ATOM 754 N GLN A 84 4.038 5.086 -59.001 1.00 1.00 N ATOM 755 CA GLN A 84 4.372 6.404 -59.529 1.00 1.00 C ATOM 756 C GLN A 84 3.446 6.780 -60.681 1.00 1.00 C ATOM 757 O GLN A 84 3.208 7.960 -60.937 1.00 1.00 O ATOM 758 CB GLN A 84 5.828 6.434 -59.998 1.00 1.00 C ATOM 759 CG GLN A 84 6.809 6.845 -58.913 1.00 1.00 C ATOM 760 CD GLN A 84 7.079 5.732 -57.919 1.00 1.00 C ATOM 761 OE1 GLN A 84 6.227 5.400 -57.095 1.00 1.00 O ATOM 762 NE2 GLN A 84 8.271 5.150 -57.991 1.00 1.00 N ATOM 0 H GLN A 84 4.814 4.424 -58.997 1.00 1.00 H new ATOM 0 HA GLN A 84 4.240 7.133 -58.729 1.00 1.00 H new ATOM 0 HB2 GLN A 84 6.102 5.446 -60.368 1.00 1.00 H new ATOM 0 HB3 GLN A 84 5.917 7.125 -60.837 1.00 1.00 H new ATOM 0 HG2 GLN A 84 7.748 7.151 -59.374 1.00 1.00 H new ATOM 0 HG3 GLN A 84 6.416 7.713 -58.383 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.947 5.457 -58.690 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.510 4.396 -57.347 1.00 1.00 H new ATOM 771 N GLU A 85 2.928 5.769 -61.371 1.00 1.00 N ATOM 772 CA GLU A 85 2.028 5.995 -62.496 1.00 1.00 C ATOM 773 C GLU A 85 0.623 6.337 -62.009 1.00 1.00 C ATOM 774 O GLU A 85 -0.018 7.253 -62.525 1.00 1.00 O ATOM 775 CB GLU A 85 1.981 4.759 -63.397 1.00 1.00 C ATOM 776 CG GLU A 85 3.013 4.778 -64.512 1.00 1.00 C ATOM 777 CD GLU A 85 2.944 3.545 -65.392 1.00 1.00 C ATOM 778 OE1 GLU A 85 3.573 2.527 -65.037 1.00 1.00 O ATOM 779 OE2 GLU A 85 2.260 3.599 -66.435 1.00 1.00 O ATOM 0 H GLU A 85 3.116 4.787 -61.171 1.00 1.00 H new ATOM 0 HA GLU A 85 2.410 6.839 -63.070 1.00 1.00 H new ATOM 0 HB2 GLU A 85 2.134 3.869 -62.787 1.00 1.00 H new ATOM 0 HB3 GLU A 85 0.986 4.677 -63.835 1.00 1.00 H new ATOM 0 HG2 GLU A 85 2.863 5.666 -65.125 1.00 1.00 H new ATOM 0 HG3 GLU A 85 4.010 4.855 -64.078 1.00 1.00 H new ATOM 786 N ARG A 86 0.152 5.595 -61.013 1.00 1.00 N ATOM 787 CA ARG A 86 -1.177 5.819 -60.456 1.00 1.00 C ATOM 788 C ARG A 86 -1.277 7.206 -59.828 1.00 1.00 C ATOM 789 O ARG A 86 -2.217 7.953 -60.097 1.00 1.00 O ATOM 790 CB ARG A 86 -1.502 4.749 -59.411 1.00 1.00 C ATOM 791 CG ARG A 86 -2.099 3.482 -60.002 1.00 1.00 C ATOM 792 CD ARG A 86 -3.000 2.773 -59.004 1.00 1.00 C ATOM 793 NE ARG A 86 -3.499 1.503 -59.523 1.00 1.00 N ATOM 794 CZ ARG A 86 -4.467 0.801 -58.944 1.00 1.00 C ATOM 795 NH1 ARG A 86 -5.037 1.245 -57.832 1.00 1.00 N ATOM 796 NH2 ARG A 86 -4.867 -0.346 -59.477 1.00 1.00 N ATOM 0 H ARG A 86 0.670 4.834 -60.575 1.00 1.00 H new ATOM 0 HA ARG A 86 -1.900 5.755 -61.269 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -0.591 4.493 -58.870 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -2.199 5.164 -58.683 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -2.670 3.730 -60.897 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.298 2.811 -60.311 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -2.449 2.596 -58.080 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.842 3.418 -58.754 1.00 1.00 H new ATOM 0 HE ARG A 86 -3.081 1.134 -60.377 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -4.732 2.127 -57.420 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -5.780 0.705 -57.389 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -4.431 -0.690 -60.333 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -5.610 -0.884 -59.031 1.00 1.00 H new ATOM 810 N GLU A 87 -0.302 7.542 -58.989 1.00 1.00 N ATOM 811 CA GLU A 87 -0.282 8.838 -58.322 1.00 1.00 C ATOM 812 C GLU A 87 -0.079 9.966 -59.330 1.00 1.00 C ATOM 813 O GLU A 87 0.724 9.848 -60.257 1.00 1.00 O ATOM 814 CB GLU A 87 0.826 8.877 -57.267 1.00 1.00 C ATOM 815 CG GLU A 87 0.502 8.081 -56.014 1.00 1.00 C ATOM 816 CD GLU A 87 1.713 7.875 -55.125 1.00 1.00 C ATOM 817 OE1 GLU A 87 2.254 8.878 -54.616 1.00 1.00 O ATOM 818 OE2 GLU A 87 2.119 6.708 -54.938 1.00 1.00 O ATOM 0 H GLU A 87 0.484 6.935 -58.755 1.00 1.00 H new ATOM 0 HA GLU A 87 -1.245 8.980 -57.832 1.00 1.00 H new ATOM 0 HB2 GLU A 87 1.747 8.491 -57.705 1.00 1.00 H new ATOM 0 HB3 GLU A 87 1.016 9.914 -56.990 1.00 1.00 H new ATOM 0 HG2 GLU A 87 -0.274 8.598 -55.450 1.00 1.00 H new ATOM 0 HG3 GLU A 87 0.096 7.111 -56.299 1.00 1.00 H new ATOM 825 N LEU A 88 -0.813 11.057 -59.144 1.00 1.00 N ATOM 826 CA LEU A 88 -0.715 12.207 -60.036 1.00 1.00 C ATOM 827 C LEU A 88 0.205 13.273 -59.449 1.00 1.00 C ATOM 828 O LEU A 88 1.069 13.812 -60.142 1.00 1.00 O ATOM 829 CB LEU A 88 -2.102 12.799 -60.292 1.00 1.00 C ATOM 830 CG LEU A 88 -2.182 13.873 -61.377 1.00 1.00 C ATOM 831 CD1 LEU A 88 -2.134 13.241 -62.759 1.00 1.00 C ATOM 832 CD2 LEU A 88 -3.448 14.703 -61.213 1.00 1.00 C ATOM 0 H LEU A 88 -1.483 11.170 -58.383 1.00 1.00 H new ATOM 0 HA LEU A 88 -0.292 11.868 -60.982 1.00 1.00 H new ATOM 0 HB2 LEU A 88 -2.778 11.987 -60.562 1.00 1.00 H new ATOM 0 HB3 LEU A 88 -2.471 13.225 -59.359 1.00 1.00 H new ATOM 0 HG LEU A 88 -1.321 14.533 -61.272 1.00 1.00 H new ATOM 0 HD11 LEU A 88 -2.192 14.021 -63.518 1.00 1.00 H new ATOM 0 HD12 LEU A 88 -1.200 12.691 -62.875 1.00 1.00 H new ATOM 0 HD13 LEU A 88 -2.975 12.558 -62.876 1.00 1.00 H new ATOM 0 HD21 LEU A 88 -3.489 15.463 -61.994 1.00 1.00 H new ATOM 0 HD22 LEU A 88 -4.321 14.055 -61.292 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -3.442 15.187 -60.236 1.00 1.00 H new ATOM 844 N VAL A 89 0.015 13.572 -58.168 1.00 1.00 N ATOM 845 CA VAL A 89 0.829 14.572 -57.487 1.00 1.00 C ATOM 846 C VAL A 89 1.189 14.120 -56.076 1.00 1.00 C ATOM 847 O VAL A 89 0.341 14.107 -55.184 1.00 1.00 O ATOM 848 CB VAL A 89 0.105 15.929 -57.411 1.00 1.00 C ATOM 849 CG1 VAL A 89 0.968 16.956 -56.694 1.00 1.00 C ATOM 850 CG2 VAL A 89 -0.268 16.413 -58.804 1.00 1.00 C ATOM 0 H VAL A 89 -0.696 13.136 -57.581 1.00 1.00 H new ATOM 0 HA VAL A 89 1.741 14.688 -58.072 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.813 15.799 -56.839 1.00 1.00 H new ATOM 0 HG11 VAL A 89 0.440 17.908 -56.650 1.00 1.00 H new ATOM 0 HG12 VAL A 89 1.179 16.611 -55.682 1.00 1.00 H new ATOM 0 HG13 VAL A 89 1.905 17.086 -57.236 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.779 17.373 -58.731 1.00 1.00 H new ATOM 0 HG22 VAL A 89 0.635 16.527 -59.404 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -0.928 15.686 -59.277 1.00 1.00 H new ATOM 860 N GLU A 90 2.451 13.750 -55.883 1.00 1.00 N ATOM 861 CA GLU A 90 2.922 13.297 -54.579 1.00 1.00 C ATOM 862 C GLU A 90 2.694 14.368 -53.516 1.00 1.00 C ATOM 863 O GLU A 90 2.677 15.561 -53.815 1.00 1.00 O ATOM 864 CB GLU A 90 4.407 12.936 -54.646 1.00 1.00 C ATOM 865 CG GLU A 90 4.668 11.518 -55.124 1.00 1.00 C ATOM 866 CD GLU A 90 6.056 11.346 -55.710 1.00 1.00 C ATOM 867 OE1 GLU A 90 6.923 12.203 -55.441 1.00 1.00 O ATOM 868 OE2 GLU A 90 6.275 10.355 -56.438 1.00 1.00 O ATOM 0 H GLU A 90 3.165 13.755 -56.612 1.00 1.00 H new ATOM 0 HA GLU A 90 2.352 12.410 -54.303 1.00 1.00 H new ATOM 0 HB2 GLU A 90 4.912 13.634 -55.314 1.00 1.00 H new ATOM 0 HB3 GLU A 90 4.848 13.064 -53.658 1.00 1.00 H new ATOM 0 HG2 GLU A 90 4.542 10.828 -54.289 1.00 1.00 H new ATOM 0 HG3 GLU A 90 3.925 11.249 -55.875 1.00 1.00 H new ATOM 875 N GLY A 91 2.519 13.931 -52.272 1.00 1.00 N ATOM 876 CA GLY A 91 2.293 14.864 -51.184 1.00 1.00 C ATOM 877 C GLY A 91 1.498 14.248 -50.049 1.00 1.00 C ATOM 878 O GLY A 91 1.230 13.048 -50.050 1.00 1.00 O ATOM 0 H GLY A 91 2.530 12.948 -51.999 1.00 1.00 H new ATOM 0 HA2 GLY A 91 3.253 15.214 -50.804 1.00 1.00 H new ATOM 0 HA3 GLY A 91 1.763 15.738 -51.563 1.00 1.00 H new ATOM 882 N GLY A 92 1.122 15.073 -49.076 1.00 1.00 N ATOM 883 CA GLY A 92 0.360 14.584 -47.942 1.00 1.00 C ATOM 884 C GLY A 92 -0.446 15.678 -47.270 1.00 1.00 C ATOM 885 O GLY A 92 -0.816 15.557 -46.103 1.00 1.00 O ATOM 0 H GLY A 92 1.332 16.071 -49.053 1.00 1.00 H new ATOM 0 HA2 GLY A 92 -0.313 13.793 -48.274 1.00 1.00 H new ATOM 0 HA3 GLY A 92 1.040 14.140 -47.215 1.00 1.00 H new TER 889 GLY A 92