USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= -1.84 K(o=-1.8,f=-5!) USER MOD Set 1.2: A 59 SER OG : rot 76:sc= 0.0152 USER MOD Set 2.1: A 26 MET CE :methyl -136:sc= 0 (180deg=-0.142) USER MOD Set 2.2: A 45 CYS SG : rot -150:sc= -1.62! USER MOD Single : A 4 SER OG : rot -38:sc= 1.08 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= -0.508 (180deg=-1.91) USER MOD Single : A 15 GLN : amide:sc= -0.0487 X(o=-0.049,f=-0.052) USER MOD Single : A 35 THR OG1 : rot 50:sc= 0.0153 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.847 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -149:sc= -0.0979 (180deg=-0.91) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 86 CYS SG : rot 131:sc= -0.116 USER MOD Single : A 95 GLN : amide:sc= -0.0585 K(o=-0.058,f=-1.4!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 1.421 0.583 -5.626 1.00 74.24 N ATOM 38 CA PRO A 3 1.266 1.511 -6.751 1.00 4.05 C ATOM 39 C PRO A 3 0.334 0.967 -7.827 1.00 54.44 C ATOM 40 O PRO A 3 0.389 -0.213 -8.172 1.00 44.14 O ATOM 41 CB PRO A 3 2.690 1.648 -7.296 1.00 22.43 C ATOM 42 CG PRO A 3 3.372 0.385 -6.894 1.00 41.25 C ATOM 43 CD PRO A 3 2.767 -0.011 -5.576 1.00 70.43 C ATOM 0 HA PRO A 3 0.820 2.456 -6.441 1.00 4.05 H new ATOM 0 HB2 PRO A 3 2.689 1.770 -8.379 1.00 22.43 H new ATOM 0 HB3 PRO A 3 3.192 2.520 -6.877 1.00 22.43 H new ATOM 0 HG2 PRO A 3 3.223 -0.394 -7.642 1.00 41.25 H new ATOM 0 HG3 PRO A 3 4.448 0.535 -6.800 1.00 41.25 H new ATOM 0 HD2 PRO A 3 2.724 -1.094 -5.463 1.00 70.43 H new ATOM 0 HD3 PRO A 3 3.345 0.375 -4.736 1.00 70.43 H new ATOM 51 N SER A 4 -0.523 1.836 -8.355 1.00 71.12 N ATOM 52 CA SER A 4 -1.471 1.442 -9.391 1.00 63.40 C ATOM 53 C SER A 4 -2.307 0.249 -8.937 1.00 13.44 C ATOM 54 O SER A 4 -2.720 -0.579 -9.748 1.00 73.31 O ATOM 55 CB SER A 4 -0.730 1.096 -10.684 1.00 52.05 C ATOM 56 OG SER A 4 -0.304 -0.255 -10.683 1.00 22.45 O ATOM 0 H SER A 4 -0.580 2.817 -8.082 1.00 71.12 H new ATOM 0 HA SER A 4 -2.139 2.283 -9.576 1.00 63.40 H new ATOM 0 HB2 SER A 4 -1.382 1.274 -11.539 1.00 52.05 H new ATOM 0 HB3 SER A 4 0.133 1.752 -10.799 1.00 52.05 H new ATOM 0 HG SER A 4 -0.006 -0.503 -9.783 1.00 22.45 H new ATOM 62 N PHE A 5 -2.553 0.170 -7.633 1.00 74.11 N ATOM 63 CA PHE A 5 -3.340 -0.921 -7.069 1.00 2.23 C ATOM 64 C PHE A 5 -2.899 -2.263 -7.645 1.00 34.54 C ATOM 65 O PHE A 5 -3.495 -2.769 -8.595 1.00 53.55 O ATOM 66 CB PHE A 5 -4.829 -0.699 -7.343 1.00 23.32 C ATOM 67 CG PHE A 5 -5.567 -0.090 -6.185 1.00 51.25 C ATOM 68 CD1 PHE A 5 -5.625 1.286 -6.031 1.00 21.24 C ATOM 69 CD2 PHE A 5 -6.203 -0.893 -5.252 1.00 42.41 C ATOM 70 CE1 PHE A 5 -6.304 1.850 -4.967 1.00 2.01 C ATOM 71 CE2 PHE A 5 -6.884 -0.334 -4.187 1.00 25.22 C ATOM 72 CZ PHE A 5 -6.933 1.039 -4.043 1.00 71.33 C ATOM 0 H PHE A 5 -2.219 0.848 -6.948 1.00 74.11 H new ATOM 0 HA PHE A 5 -3.175 -0.936 -5.992 1.00 2.23 H new ATOM 0 HB2 PHE A 5 -4.938 -0.052 -8.214 1.00 23.32 H new ATOM 0 HB3 PHE A 5 -5.290 -1.654 -7.596 1.00 23.32 H new ATOM 0 HD1 PHE A 5 -5.134 1.925 -6.750 1.00 21.24 H new ATOM 0 HD2 PHE A 5 -6.166 -1.967 -5.358 1.00 42.41 H new ATOM 0 HE1 PHE A 5 -6.342 2.924 -4.859 1.00 2.01 H new ATOM 0 HE2 PHE A 5 -7.378 -0.971 -3.468 1.00 25.22 H new ATOM 0 HZ PHE A 5 -7.462 1.477 -3.210 1.00 71.33 H new ATOM 82 N ALA A 6 -1.851 -2.836 -7.061 1.00 52.52 N ATOM 83 CA ALA A 6 -1.331 -4.120 -7.514 1.00 52.44 C ATOM 84 C ALA A 6 -0.770 -4.016 -8.929 1.00 35.52 C ATOM 85 O ALA A 6 -1.449 -4.307 -9.914 1.00 50.02 O ATOM 86 CB ALA A 6 -2.419 -5.181 -7.452 1.00 72.31 C ATOM 0 H ALA A 6 -1.346 -2.431 -6.273 1.00 52.52 H new ATOM 0 HA ALA A 6 -0.518 -4.410 -6.849 1.00 52.44 H new ATOM 0 HB1 ALA A 6 -2.017 -6.135 -7.793 1.00 72.31 H new ATOM 0 HB2 ALA A 6 -2.771 -5.282 -6.425 1.00 72.31 H new ATOM 0 HB3 ALA A 6 -3.250 -4.888 -8.093 1.00 72.31 H new ATOM 92 N PRO A 7 0.498 -3.592 -9.034 1.00 33.40 N ATOM 93 CA PRO A 7 1.177 -3.441 -10.324 1.00 23.00 C ATOM 94 C PRO A 7 1.468 -4.783 -10.987 1.00 71.01 C ATOM 95 O PRO A 7 1.969 -5.707 -10.348 1.00 3.23 O ATOM 96 CB PRO A 7 2.483 -2.733 -9.956 1.00 3.42 C ATOM 97 CG PRO A 7 2.725 -3.099 -8.532 1.00 72.12 C ATOM 98 CD PRO A 7 1.366 -3.228 -7.902 1.00 31.54 C ATOM 0 HA PRO A 7 0.567 -2.895 -11.044 1.00 23.00 H new ATOM 0 HB2 PRO A 7 3.304 -3.060 -10.594 1.00 3.42 H new ATOM 0 HB3 PRO A 7 2.396 -1.653 -10.078 1.00 3.42 H new ATOM 0 HG2 PRO A 7 3.280 -4.034 -8.458 1.00 72.12 H new ATOM 0 HG3 PRO A 7 3.318 -2.336 -8.028 1.00 72.12 H new ATOM 0 HD2 PRO A 7 1.354 -3.992 -7.125 1.00 31.54 H new ATOM 0 HD3 PRO A 7 1.049 -2.295 -7.436 1.00 31.54 H new ATOM 106 N GLY A 8 1.150 -4.883 -12.274 1.00 73.43 N ATOM 107 CA GLY A 8 1.384 -6.117 -13.002 1.00 45.55 C ATOM 108 C GLY A 8 0.097 -6.773 -13.461 1.00 24.23 C ATOM 109 O GLY A 8 0.070 -7.970 -13.750 1.00 43.13 O ATOM 0 H GLY A 8 0.735 -4.132 -12.825 1.00 73.43 H new ATOM 0 HA2 GLY A 8 2.012 -5.910 -13.869 1.00 45.55 H new ATOM 0 HA3 GLY A 8 1.935 -6.811 -12.367 1.00 45.55 H new ATOM 113 N THR A 9 -0.975 -5.990 -13.526 1.00 4.44 N ATOM 114 CA THR A 9 -2.272 -6.502 -13.949 1.00 24.33 C ATOM 115 C THR A 9 -2.489 -6.284 -15.442 1.00 1.54 C ATOM 116 O THR A 9 -2.257 -5.190 -15.960 1.00 21.34 O ATOM 117 CB THR A 9 -3.421 -5.834 -13.171 1.00 1.01 C ATOM 118 OG1 THR A 9 -3.003 -5.544 -11.832 1.00 42.34 O ATOM 119 CG2 THR A 9 -4.648 -6.732 -13.141 1.00 31.33 C ATOM 0 H THR A 9 -0.970 -4.998 -13.291 1.00 4.44 H new ATOM 0 HA THR A 9 -2.274 -7.571 -13.737 1.00 24.33 H new ATOM 0 HB THR A 9 -3.682 -4.905 -13.679 1.00 1.01 H new ATOM 0 HG1 THR A 9 -3.739 -5.118 -11.345 1.00 42.34 H new ATOM 0 HG21 THR A 9 -5.446 -6.239 -12.586 1.00 31.33 H new ATOM 0 HG22 THR A 9 -4.981 -6.927 -14.160 1.00 31.33 H new ATOM 0 HG23 THR A 9 -4.397 -7.675 -12.655 1.00 31.33 H new ATOM 127 N LEU A 10 -2.936 -7.329 -16.129 1.00 2.30 N ATOM 128 CA LEU A 10 -3.186 -7.250 -17.564 1.00 64.51 C ATOM 129 C LEU A 10 -4.645 -6.906 -17.845 1.00 22.21 C ATOM 130 O LEU A 10 -5.550 -7.671 -17.511 1.00 24.32 O ATOM 131 CB LEU A 10 -2.824 -8.575 -18.238 1.00 24.33 C ATOM 132 CG LEU A 10 -2.481 -8.500 -19.726 1.00 74.01 C ATOM 133 CD1 LEU A 10 -1.950 -9.837 -20.220 1.00 13.20 C ATOM 134 CD2 LEU A 10 -3.700 -8.077 -20.533 1.00 35.41 C ATOM 0 H LEU A 10 -3.133 -8.241 -15.716 1.00 2.30 H new ATOM 0 HA LEU A 10 -2.560 -6.457 -17.974 1.00 64.51 H new ATOM 0 HB2 LEU A 10 -1.973 -9.007 -17.711 1.00 24.33 H new ATOM 0 HB3 LEU A 10 -3.660 -9.263 -18.113 1.00 24.33 H new ATOM 0 HG LEU A 10 -1.701 -7.751 -19.862 1.00 74.01 H new ATOM 0 HD11 LEU A 10 -1.711 -9.764 -21.281 1.00 13.20 H new ATOM 0 HD12 LEU A 10 -1.051 -10.100 -19.663 1.00 13.20 H new ATOM 0 HD13 LEU A 10 -2.707 -10.607 -20.070 1.00 13.20 H new ATOM 0 HD21 LEU A 10 -3.438 -8.029 -21.590 1.00 35.41 H new ATOM 0 HD22 LEU A 10 -4.501 -8.803 -20.390 1.00 35.41 H new ATOM 0 HD23 LEU A 10 -4.036 -7.096 -20.197 1.00 35.41 H new ATOM 146 N VAL A 11 -4.866 -5.750 -18.463 1.00 35.41 N ATOM 147 CA VAL A 11 -6.215 -5.306 -18.792 1.00 55.11 C ATOM 148 C VAL A 11 -6.360 -5.049 -20.288 1.00 21.40 C ATOM 149 O VAL A 11 -5.424 -5.266 -21.058 1.00 74.12 O ATOM 150 CB VAL A 11 -6.587 -4.023 -18.024 1.00 61.33 C ATOM 151 CG1 VAL A 11 -6.719 -4.311 -16.537 1.00 11.15 C ATOM 152 CG2 VAL A 11 -5.555 -2.935 -18.276 1.00 4.43 C ATOM 0 H VAL A 11 -4.129 -5.105 -18.746 1.00 35.41 H new ATOM 0 HA VAL A 11 -6.892 -6.107 -18.496 1.00 55.11 H new ATOM 0 HB VAL A 11 -7.551 -3.668 -18.387 1.00 61.33 H new ATOM 0 HG11 VAL A 11 -6.982 -3.393 -16.011 1.00 11.15 H new ATOM 0 HG12 VAL A 11 -7.498 -5.056 -16.379 1.00 11.15 H new ATOM 0 HG13 VAL A 11 -5.771 -4.690 -16.154 1.00 11.15 H new ATOM 0 HG21 VAL A 11 -5.833 -2.036 -17.726 1.00 4.43 H new ATOM 0 HG22 VAL A 11 -4.576 -3.277 -17.941 1.00 4.43 H new ATOM 0 HG23 VAL A 11 -5.515 -2.711 -19.342 1.00 4.43 H new ATOM 162 N TRP A 12 -7.537 -4.587 -20.692 1.00 12.50 N ATOM 163 CA TRP A 12 -7.804 -4.300 -22.097 1.00 12.41 C ATOM 164 C TRP A 12 -8.096 -2.817 -22.304 1.00 64.50 C ATOM 165 O TRP A 12 -8.875 -2.218 -21.562 1.00 75.33 O ATOM 166 CB TRP A 12 -8.983 -5.138 -22.595 1.00 25.21 C ATOM 167 CG TRP A 12 -8.569 -6.450 -23.189 1.00 65.33 C ATOM 168 CD1 TRP A 12 -7.377 -7.093 -23.007 1.00 74.13 C ATOM 169 CD2 TRP A 12 -9.344 -7.278 -24.063 1.00 40.01 C ATOM 170 NE1 TRP A 12 -7.366 -8.271 -23.715 1.00 43.34 N ATOM 171 CE2 TRP A 12 -8.561 -8.408 -24.371 1.00 3.32 C ATOM 172 CE3 TRP A 12 -10.624 -7.176 -24.614 1.00 32.02 C ATOM 173 CZ2 TRP A 12 -9.017 -9.425 -25.205 1.00 10.30 C ATOM 174 CZ3 TRP A 12 -11.076 -8.186 -25.442 1.00 24.12 C ATOM 175 CH2 TRP A 12 -10.274 -9.299 -25.730 1.00 53.24 C ATOM 0 H TRP A 12 -8.322 -4.403 -20.067 1.00 12.50 H new ATOM 0 HA TRP A 12 -6.914 -4.560 -22.670 1.00 12.41 H new ATOM 0 HB2 TRP A 12 -9.665 -5.322 -21.765 1.00 25.21 H new ATOM 0 HB3 TRP A 12 -9.536 -4.567 -23.341 1.00 25.21 H new ATOM 0 HD1 TRP A 12 -6.564 -6.729 -22.397 1.00 74.13 H new ATOM 0 HE1 TRP A 12 -6.593 -8.936 -23.747 1.00 43.34 H new ATOM 0 HE3 TRP A 12 -11.249 -6.323 -24.397 1.00 32.02 H new ATOM 0 HZ2 TRP A 12 -8.400 -10.283 -25.430 1.00 10.30 H new ATOM 0 HZ3 TRP A 12 -12.063 -8.117 -25.874 1.00 24.12 H new ATOM 0 HH2 TRP A 12 -10.656 -10.073 -26.379 1.00 53.24 H new ATOM 186 N LEU A 13 -7.466 -2.231 -23.316 1.00 5.13 N ATOM 187 CA LEU A 13 -7.658 -0.817 -23.621 1.00 20.35 C ATOM 188 C LEU A 13 -8.318 -0.639 -24.984 1.00 34.21 C ATOM 189 O LEU A 13 -7.749 -1.001 -26.014 1.00 1.21 O ATOM 190 CB LEU A 13 -6.317 -0.082 -23.591 1.00 10.23 C ATOM 191 CG LEU A 13 -6.331 1.314 -22.966 1.00 23.45 C ATOM 192 CD1 LEU A 13 -5.707 1.283 -21.579 1.00 10.32 C ATOM 193 CD2 LEU A 13 -5.600 2.306 -23.859 1.00 75.52 C ATOM 0 H LEU A 13 -6.818 -2.713 -23.939 1.00 5.13 H new ATOM 0 HA LEU A 13 -8.315 -0.393 -22.862 1.00 20.35 H new ATOM 0 HB2 LEU A 13 -5.601 -0.696 -23.045 1.00 10.23 H new ATOM 0 HB3 LEU A 13 -5.949 0.003 -24.613 1.00 10.23 H new ATOM 0 HG LEU A 13 -7.367 1.638 -22.870 1.00 23.45 H new ATOM 0 HD11 LEU A 13 -5.725 2.285 -21.149 1.00 10.32 H new ATOM 0 HD12 LEU A 13 -6.272 0.604 -20.941 1.00 10.32 H new ATOM 0 HD13 LEU A 13 -4.676 0.938 -21.652 1.00 10.32 H new ATOM 0 HD21 LEU A 13 -5.620 3.294 -23.398 1.00 75.52 H new ATOM 0 HD22 LEU A 13 -4.566 1.987 -23.987 1.00 75.52 H new ATOM 0 HD23 LEU A 13 -6.090 2.349 -24.832 1.00 75.52 H new ATOM 205 N LYS A 14 -9.523 -0.078 -24.983 1.00 44.33 N ATOM 206 CA LYS A 14 -10.260 0.153 -26.220 1.00 35.44 C ATOM 207 C LYS A 14 -10.260 1.633 -26.586 1.00 44.30 C ATOM 208 O LYS A 14 -10.920 2.443 -25.935 1.00 70.44 O ATOM 209 CB LYS A 14 -11.700 -0.348 -26.079 1.00 62.15 C ATOM 210 CG LYS A 14 -12.373 -0.644 -27.408 1.00 61.35 C ATOM 211 CD LYS A 14 -13.059 0.588 -27.973 1.00 13.21 C ATOM 212 CE LYS A 14 -14.542 0.343 -28.206 1.00 72.30 C ATOM 213 NZ LYS A 14 -15.232 -0.108 -26.965 1.00 65.14 N ATOM 0 H LYS A 14 -10.010 0.225 -24.139 1.00 44.33 H new ATOM 0 HA LYS A 14 -9.764 -0.400 -27.018 1.00 35.44 H new ATOM 0 HB2 LYS A 14 -11.703 -1.252 -25.470 1.00 62.15 H new ATOM 0 HB3 LYS A 14 -12.285 0.399 -25.543 1.00 62.15 H new ATOM 0 HG2 LYS A 14 -11.631 -1.007 -28.119 1.00 61.35 H new ATOM 0 HG3 LYS A 14 -13.105 -1.441 -27.277 1.00 61.35 H new ATOM 0 HD2 LYS A 14 -12.931 1.424 -27.286 1.00 13.21 H new ATOM 0 HD3 LYS A 14 -12.584 0.872 -28.912 1.00 13.21 H new ATOM 0 HE2 LYS A 14 -15.009 1.259 -28.569 1.00 72.30 H new ATOM 0 HE3 LYS A 14 -14.668 -0.409 -28.985 1.00 72.30 H new ATOM 0 HZ1 LYS A 14 -15.503 -1.107 -27.062 1.00 65.14 H new ATOM 0 HZ2 LYS A 14 -14.591 -0.001 -26.153 1.00 65.14 H new ATOM 0 HZ3 LYS A 14 -16.084 0.469 -26.812 1.00 65.14 H new ATOM 227 N GLN A 15 -9.516 1.979 -27.632 1.00 5.14 N ATOM 228 CA GLN A 15 -9.431 3.363 -28.084 1.00 25.31 C ATOM 229 C GLN A 15 -10.755 3.821 -28.685 1.00 41.14 C ATOM 230 O GLN A 15 -11.646 3.011 -28.940 1.00 62.52 O ATOM 231 CB GLN A 15 -8.309 3.517 -29.113 1.00 0.14 C ATOM 232 CG GLN A 15 -7.153 4.376 -28.628 1.00 4.35 C ATOM 233 CD GLN A 15 -7.524 5.841 -28.509 1.00 44.40 C ATOM 234 OE1 GLN A 15 -7.863 6.322 -27.427 1.00 50.35 O ATOM 235 NE2 GLN A 15 -7.461 6.560 -29.624 1.00 2.32 N ATOM 0 H GLN A 15 -8.964 1.321 -28.182 1.00 5.14 H new ATOM 0 HA GLN A 15 -9.210 3.989 -27.219 1.00 25.31 H new ATOM 0 HB2 GLN A 15 -7.931 2.529 -29.377 1.00 0.14 H new ATOM 0 HB3 GLN A 15 -8.719 3.955 -30.023 1.00 0.14 H new ATOM 0 HG2 GLN A 15 -6.816 4.011 -27.658 1.00 4.35 H new ATOM 0 HG3 GLN A 15 -6.314 4.272 -29.317 1.00 4.35 H new ATOM 0 HE21 GLN A 15 -7.175 6.120 -30.499 1.00 2.32 H new ATOM 0 HE22 GLN A 15 -7.699 7.552 -29.605 1.00 2.32 H new ATOM 244 N ASP A 16 -10.877 5.125 -28.909 1.00 74.35 N ATOM 245 CA ASP A 16 -12.093 5.691 -29.482 1.00 11.31 C ATOM 246 C ASP A 16 -12.317 5.176 -30.900 1.00 52.32 C ATOM 247 O ASP A 16 -13.375 4.630 -31.213 1.00 13.21 O ATOM 248 CB ASP A 16 -12.016 7.219 -29.487 1.00 32.21 C ATOM 249 CG ASP A 16 -13.384 7.868 -29.409 1.00 31.31 C ATOM 250 OD1 ASP A 16 -14.287 7.276 -28.780 1.00 41.05 O ATOM 251 OD2 ASP A 16 -13.552 8.968 -29.976 1.00 23.44 O ATOM 0 H ASP A 16 -10.149 5.809 -28.703 1.00 74.35 H new ATOM 0 HA ASP A 16 -12.935 5.379 -28.865 1.00 11.31 H new ATOM 0 HB2 ASP A 16 -11.410 7.552 -28.644 1.00 32.21 H new ATOM 0 HB3 ASP A 16 -11.511 7.551 -30.394 1.00 32.21 H new ATOM 256 N ARG A 17 -11.315 5.355 -31.754 1.00 61.04 N ATOM 257 CA ARG A 17 -11.404 4.910 -33.140 1.00 44.51 C ATOM 258 C ARG A 17 -10.695 3.572 -33.328 1.00 43.42 C ATOM 259 O ARG A 17 -11.044 2.792 -34.214 1.00 72.10 O ATOM 260 CB ARG A 17 -10.795 5.958 -34.074 1.00 23.00 C ATOM 261 CG ARG A 17 -11.702 7.151 -34.325 1.00 10.44 C ATOM 262 CD ARG A 17 -11.423 7.789 -35.676 1.00 43.44 C ATOM 263 NE ARG A 17 -12.448 8.762 -36.045 1.00 1.11 N ATOM 264 CZ ARG A 17 -12.481 9.386 -37.217 1.00 12.41 C ATOM 265 NH1 ARG A 17 -11.551 9.140 -38.129 1.00 54.45 N ATOM 266 NH2 ARG A 17 -13.447 10.258 -37.478 1.00 45.52 N ATOM 0 H ARG A 17 -10.432 5.805 -31.511 1.00 61.04 H new ATOM 0 HA ARG A 17 -12.458 4.781 -33.387 1.00 44.51 H new ATOM 0 HB2 ARG A 17 -9.856 6.310 -33.648 1.00 23.00 H new ATOM 0 HB3 ARG A 17 -10.556 5.487 -35.028 1.00 23.00 H new ATOM 0 HG2 ARG A 17 -12.744 6.833 -34.280 1.00 10.44 H new ATOM 0 HG3 ARG A 17 -11.560 7.890 -33.536 1.00 10.44 H new ATOM 0 HD2 ARG A 17 -10.450 8.280 -35.651 1.00 43.44 H new ATOM 0 HD3 ARG A 17 -11.369 7.013 -36.439 1.00 43.44 H new ATOM 0 HE ARG A 17 -13.178 8.974 -35.365 1.00 1.11 H new ATOM 0 HH11 ARG A 17 -10.808 8.470 -37.932 1.00 54.45 H new ATOM 0 HH12 ARG A 17 -11.579 9.621 -39.028 1.00 54.45 H new ATOM 0 HH21 ARG A 17 -14.164 10.449 -36.778 1.00 45.52 H new ATOM 0 HH22 ARG A 17 -13.472 10.737 -38.378 1.00 45.52 H new ATOM 280 N PHE A 18 -9.697 3.314 -32.489 1.00 41.14 N ATOM 281 CA PHE A 18 -8.938 2.071 -32.564 1.00 4.41 C ATOM 282 C PHE A 18 -9.623 0.966 -31.766 1.00 14.31 C ATOM 283 O PHE A 18 -10.409 1.221 -30.853 1.00 0.22 O ATOM 284 CB PHE A 18 -7.515 2.286 -32.042 1.00 35.33 C ATOM 285 CG PHE A 18 -6.470 2.257 -33.120 1.00 33.00 C ATOM 286 CD1 PHE A 18 -6.662 2.944 -34.308 1.00 12.03 C ATOM 287 CD2 PHE A 18 -5.296 1.542 -32.946 1.00 0.41 C ATOM 288 CE1 PHE A 18 -5.702 2.920 -35.302 1.00 12.01 C ATOM 289 CE2 PHE A 18 -4.332 1.515 -33.936 1.00 53.13 C ATOM 290 CZ PHE A 18 -4.536 2.204 -35.116 1.00 72.32 C ATOM 0 H PHE A 18 -9.395 3.949 -31.750 1.00 41.14 H new ATOM 0 HA PHE A 18 -8.892 1.765 -33.609 1.00 4.41 H new ATOM 0 HB2 PHE A 18 -7.467 3.245 -31.526 1.00 35.33 H new ATOM 0 HB3 PHE A 18 -7.287 1.516 -31.305 1.00 35.33 H new ATOM 0 HD1 PHE A 18 -7.573 3.505 -34.459 1.00 12.03 H new ATOM 0 HD2 PHE A 18 -5.132 1.000 -32.026 1.00 0.41 H new ATOM 0 HE1 PHE A 18 -5.864 3.461 -36.223 1.00 12.01 H new ATOM 0 HE2 PHE A 18 -3.420 0.956 -33.787 1.00 53.13 H new ATOM 0 HZ PHE A 18 -3.785 2.183 -35.892 1.00 72.32 H new ATOM 300 N PRO A 19 -9.321 -0.292 -32.118 1.00 23.00 N ATOM 301 CA PRO A 19 -9.897 -1.462 -31.448 1.00 4.20 C ATOM 302 C PRO A 19 -9.375 -1.630 -30.025 1.00 64.32 C ATOM 303 O PRO A 19 -8.698 -0.749 -29.494 1.00 33.50 O ATOM 304 CB PRO A 19 -9.444 -2.632 -32.326 1.00 13.45 C ATOM 305 CG PRO A 19 -8.203 -2.147 -32.992 1.00 71.40 C ATOM 306 CD PRO A 19 -8.393 -0.670 -33.197 1.00 5.21 C ATOM 0 HA PRO A 19 -10.979 -1.382 -31.346 1.00 4.20 H new ATOM 0 HB2 PRO A 19 -9.251 -3.523 -31.729 1.00 13.45 H new ATOM 0 HB3 PRO A 19 -10.208 -2.897 -33.057 1.00 13.45 H new ATOM 0 HG2 PRO A 19 -7.326 -2.346 -32.376 1.00 71.40 H new ATOM 0 HG3 PRO A 19 -8.046 -2.656 -33.943 1.00 71.40 H new ATOM 0 HD2 PRO A 19 -7.449 -0.129 -33.123 1.00 5.21 H new ATOM 0 HD3 PRO A 19 -8.810 -0.451 -34.180 1.00 5.21 H new ATOM 314 N TRP A 20 -9.692 -2.766 -29.414 1.00 53.23 N ATOM 315 CA TRP A 20 -9.254 -3.049 -28.052 1.00 72.32 C ATOM 316 C TRP A 20 -8.052 -3.987 -28.051 1.00 71.11 C ATOM 317 O TRP A 20 -8.118 -5.096 -28.582 1.00 41.55 O ATOM 318 CB TRP A 20 -10.398 -3.665 -27.244 1.00 41.05 C ATOM 319 CG TRP A 20 -11.066 -4.813 -27.940 1.00 5.42 C ATOM 320 CD1 TRP A 20 -10.721 -6.132 -27.860 1.00 42.33 C ATOM 321 CD2 TRP A 20 -12.191 -4.743 -28.822 1.00 12.43 C ATOM 322 NE1 TRP A 20 -11.564 -6.886 -28.640 1.00 15.13 N ATOM 323 CE2 TRP A 20 -12.476 -6.058 -29.239 1.00 42.52 C ATOM 324 CE3 TRP A 20 -12.988 -3.698 -29.298 1.00 3.33 C ATOM 325 CZ2 TRP A 20 -13.522 -6.352 -30.110 1.00 4.30 C ATOM 326 CZ3 TRP A 20 -14.025 -3.991 -30.162 1.00 70.31 C ATOM 327 CH2 TRP A 20 -14.285 -5.309 -30.560 1.00 72.35 C ATOM 0 H TRP A 20 -10.250 -3.506 -29.840 1.00 53.23 H new ATOM 0 HA TRP A 20 -8.957 -2.108 -27.589 1.00 72.32 H new ATOM 0 HB2 TRP A 20 -10.012 -4.007 -26.284 1.00 41.05 H new ATOM 0 HB3 TRP A 20 -11.140 -2.895 -27.034 1.00 41.05 H new ATOM 0 HD1 TRP A 20 -9.906 -6.525 -27.270 1.00 42.33 H new ATOM 0 HE1 TRP A 20 -11.518 -7.899 -28.754 1.00 15.13 H new ATOM 0 HE3 TRP A 20 -12.796 -2.679 -28.995 1.00 3.33 H new ATOM 0 HZ2 TRP A 20 -13.724 -7.367 -30.419 1.00 4.30 H new ATOM 0 HZ3 TRP A 20 -14.646 -3.191 -30.537 1.00 70.31 H new ATOM 0 HH2 TRP A 20 -15.104 -5.506 -31.236 1.00 72.35 H new ATOM 338 N TRP A 21 -6.956 -3.536 -27.452 1.00 33.25 N ATOM 339 CA TRP A 21 -5.739 -4.337 -27.382 1.00 10.32 C ATOM 340 C TRP A 21 -5.301 -4.537 -25.935 1.00 54.00 C ATOM 341 O TRP A 21 -5.604 -3.733 -25.053 1.00 34.30 O ATOM 342 CB TRP A 21 -4.618 -3.668 -28.179 1.00 1.02 C ATOM 343 CG TRP A 21 -4.776 -3.812 -29.662 1.00 54.33 C ATOM 344 CD1 TRP A 21 -5.372 -4.845 -30.326 1.00 75.45 C ATOM 345 CD2 TRP A 21 -4.330 -2.892 -30.665 1.00 15.02 C ATOM 346 NE1 TRP A 21 -5.324 -4.624 -31.682 1.00 1.23 N ATOM 347 CE2 TRP A 21 -4.691 -3.432 -31.915 1.00 44.21 C ATOM 348 CE3 TRP A 21 -3.664 -1.664 -30.628 1.00 71.32 C ATOM 349 CZ2 TRP A 21 -4.405 -2.786 -33.115 1.00 4.32 C ATOM 350 CZ3 TRP A 21 -3.381 -1.024 -31.820 1.00 23.43 C ATOM 351 CH2 TRP A 21 -3.751 -1.585 -33.049 1.00 71.13 C ATOM 0 H TRP A 21 -6.885 -2.621 -27.008 1.00 33.25 H new ATOM 0 HA TRP A 21 -5.951 -5.314 -27.816 1.00 10.32 H new ATOM 0 HB2 TRP A 21 -4.584 -2.608 -27.926 1.00 1.02 H new ATOM 0 HB3 TRP A 21 -3.662 -4.098 -27.879 1.00 1.02 H new ATOM 0 HD1 TRP A 21 -5.816 -5.709 -29.855 1.00 75.45 H new ATOM 0 HE1 TRP A 21 -5.699 -5.246 -32.398 1.00 1.23 H new ATOM 0 HE3 TRP A 21 -3.376 -1.223 -29.685 1.00 71.32 H new ATOM 0 HZ2 TRP A 21 -4.689 -3.217 -34.064 1.00 4.32 H new ATOM 0 HZ3 TRP A 21 -2.866 -0.075 -31.803 1.00 23.43 H new ATOM 0 HH2 TRP A 21 -3.516 -1.060 -33.963 1.00 71.13 H new ATOM 362 N PRO A 22 -4.571 -5.634 -25.683 1.00 13.42 N ATOM 363 CA PRO A 22 -4.076 -5.964 -24.343 1.00 41.22 C ATOM 364 C PRO A 22 -2.982 -5.009 -23.878 1.00 62.01 C ATOM 365 O PRO A 22 -2.203 -4.503 -24.684 1.00 45.51 O ATOM 366 CB PRO A 22 -3.515 -7.378 -24.511 1.00 74.31 C ATOM 367 CG PRO A 22 -3.164 -7.478 -25.955 1.00 41.54 C ATOM 368 CD PRO A 22 -4.173 -6.635 -26.686 1.00 22.10 C ATOM 0 HA PRO A 22 -4.859 -5.888 -23.589 1.00 41.22 H new ATOM 0 HB2 PRO A 22 -2.640 -7.534 -23.879 1.00 74.31 H new ATOM 0 HB3 PRO A 22 -4.250 -8.132 -24.229 1.00 74.31 H new ATOM 0 HG2 PRO A 22 -2.151 -7.119 -26.136 1.00 41.54 H new ATOM 0 HG3 PRO A 22 -3.201 -8.513 -26.295 1.00 41.54 H new ATOM 0 HD2 PRO A 22 -3.741 -6.168 -27.571 1.00 22.10 H new ATOM 0 HD3 PRO A 22 -5.024 -7.228 -27.022 1.00 22.10 H new ATOM 376 N GLY A 23 -2.929 -4.768 -22.572 1.00 12.35 N ATOM 377 CA GLY A 23 -1.926 -3.874 -22.022 1.00 33.20 C ATOM 378 C GLY A 23 -1.692 -4.105 -20.542 1.00 73.33 C ATOM 379 O GLY A 23 -2.641 -4.232 -19.768 1.00 55.35 O ATOM 0 H GLY A 23 -3.563 -5.176 -21.884 1.00 12.35 H new ATOM 0 HA2 GLY A 23 -0.988 -4.010 -22.560 1.00 33.20 H new ATOM 0 HA3 GLY A 23 -2.238 -2.842 -22.181 1.00 33.20 H new ATOM 383 N PHE A 24 -0.425 -4.163 -20.147 1.00 43.52 N ATOM 384 CA PHE A 24 -0.069 -4.383 -18.750 1.00 45.04 C ATOM 385 C PHE A 24 -0.077 -3.070 -17.973 1.00 52.12 C ATOM 386 O PHE A 24 0.530 -2.084 -18.391 1.00 3.00 O ATOM 387 CB PHE A 24 1.310 -5.038 -18.651 1.00 65.40 C ATOM 388 CG PHE A 24 1.563 -6.068 -19.715 1.00 41.33 C ATOM 389 CD1 PHE A 24 2.531 -5.858 -20.685 1.00 33.24 C ATOM 390 CD2 PHE A 24 0.832 -7.245 -19.747 1.00 4.42 C ATOM 391 CE1 PHE A 24 2.766 -6.804 -21.665 1.00 50.52 C ATOM 392 CE2 PHE A 24 1.063 -8.194 -20.725 1.00 5.44 C ATOM 393 CZ PHE A 24 2.031 -7.972 -21.686 1.00 35.33 C ATOM 0 H PHE A 24 0.373 -4.061 -20.774 1.00 43.52 H new ATOM 0 HA PHE A 24 -0.813 -5.048 -18.312 1.00 45.04 H new ATOM 0 HB2 PHE A 24 2.076 -4.265 -18.716 1.00 65.40 H new ATOM 0 HB3 PHE A 24 1.411 -5.506 -17.672 1.00 65.40 H new ATOM 0 HD1 PHE A 24 3.108 -4.945 -20.675 1.00 33.24 H new ATOM 0 HD2 PHE A 24 0.073 -7.423 -18.999 1.00 4.42 H new ATOM 0 HE1 PHE A 24 3.524 -6.629 -22.414 1.00 50.52 H new ATOM 0 HE2 PHE A 24 0.488 -9.108 -20.738 1.00 5.44 H new ATOM 0 HZ PHE A 24 2.212 -8.711 -22.452 1.00 35.33 H new ATOM 403 N VAL A 25 -0.771 -3.065 -16.839 1.00 53.35 N ATOM 404 CA VAL A 25 -0.860 -1.874 -16.003 1.00 24.14 C ATOM 405 C VAL A 25 0.396 -1.704 -15.154 1.00 74.42 C ATOM 406 O VAL A 25 0.713 -2.552 -14.320 1.00 73.24 O ATOM 407 CB VAL A 25 -2.089 -1.929 -15.076 1.00 23.30 C ATOM 408 CG1 VAL A 25 -2.136 -0.703 -14.177 1.00 64.02 C ATOM 409 CG2 VAL A 25 -3.366 -2.051 -15.893 1.00 12.02 C ATOM 0 H VAL A 25 -1.280 -3.872 -16.479 1.00 53.35 H new ATOM 0 HA VAL A 25 -0.959 -1.022 -16.675 1.00 24.14 H new ATOM 0 HB VAL A 25 -2.005 -2.811 -14.441 1.00 23.30 H new ATOM 0 HG11 VAL A 25 -3.011 -0.760 -13.530 1.00 64.02 H new ATOM 0 HG12 VAL A 25 -1.234 -0.665 -13.566 1.00 64.02 H new ATOM 0 HG13 VAL A 25 -2.196 0.196 -14.790 1.00 64.02 H new ATOM 0 HG21 VAL A 25 -4.225 -2.089 -15.223 1.00 12.02 H new ATOM 0 HG22 VAL A 25 -3.459 -1.189 -16.554 1.00 12.02 H new ATOM 0 HG23 VAL A 25 -3.331 -2.963 -16.489 1.00 12.02 H new ATOM 419 N MET A 26 1.106 -0.603 -15.372 1.00 42.35 N ATOM 420 CA MET A 26 2.327 -0.321 -14.626 1.00 51.31 C ATOM 421 C MET A 26 2.358 1.133 -14.164 1.00 20.42 C ATOM 422 O MET A 26 1.938 2.034 -14.890 1.00 23.20 O ATOM 423 CB MET A 26 3.556 -0.621 -15.485 1.00 65.23 C ATOM 424 CG MET A 26 3.562 -2.025 -16.069 1.00 12.21 C ATOM 425 SD MET A 26 5.075 -2.929 -15.689 1.00 34.30 S ATOM 426 CE MET A 26 6.295 -1.907 -16.509 1.00 63.03 C ATOM 0 H MET A 26 0.857 0.109 -16.059 1.00 42.35 H new ATOM 0 HA MET A 26 2.342 -0.964 -13.746 1.00 51.31 H new ATOM 0 HB2 MET A 26 3.605 0.102 -16.299 1.00 65.23 H new ATOM 0 HB3 MET A 26 4.453 -0.484 -14.881 1.00 65.23 H new ATOM 0 HG2 MET A 26 2.706 -2.579 -15.683 1.00 12.21 H new ATOM 0 HG3 MET A 26 3.441 -1.965 -17.151 1.00 12.21 H new ATOM 0 HE1 MET A 26 6.998 -2.542 -17.048 1.00 63.03 H new ATOM 0 HE2 MET A 26 5.797 -1.239 -17.211 1.00 63.03 H new ATOM 0 HE3 MET A 26 6.834 -1.318 -15.767 1.00 63.03 H new ATOM 436 N ASP A 27 2.857 1.353 -12.953 1.00 31.25 N ATOM 437 CA ASP A 27 2.943 2.697 -12.394 1.00 3.10 C ATOM 438 C ASP A 27 4.225 3.391 -12.844 1.00 1.21 C ATOM 439 O ASP A 27 5.281 2.772 -12.980 1.00 14.14 O ATOM 440 CB ASP A 27 2.887 2.642 -10.866 1.00 44.45 C ATOM 441 CG ASP A 27 4.205 2.210 -10.254 1.00 41.10 C ATOM 442 OD1 ASP A 27 5.142 3.035 -10.219 1.00 3.14 O ATOM 443 OD2 ASP A 27 4.299 1.047 -9.809 1.00 50.23 O ATOM 0 H ASP A 27 3.208 0.618 -12.339 1.00 31.25 H new ATOM 0 HA ASP A 27 2.092 3.271 -12.760 1.00 3.10 H new ATOM 0 HB2 ASP A 27 2.615 3.624 -10.480 1.00 44.45 H new ATOM 0 HB3 ASP A 27 2.103 1.950 -10.559 1.00 44.45 H new ATOM 448 N PRO A 28 4.133 4.708 -13.082 1.00 61.01 N ATOM 449 CA PRO A 28 5.276 5.515 -13.521 1.00 34.30 C ATOM 450 C PRO A 28 6.320 5.687 -12.423 1.00 34.11 C ATOM 451 O PRO A 28 7.521 5.692 -12.691 1.00 2.01 O ATOM 452 CB PRO A 28 4.643 6.863 -13.874 1.00 1.34 C ATOM 453 CG PRO A 28 3.402 6.926 -13.052 1.00 2.14 C ATOM 454 CD PRO A 28 2.907 5.511 -12.941 1.00 33.31 C ATOM 0 HA PRO A 28 5.810 5.049 -14.349 1.00 34.30 H new ATOM 0 HB2 PRO A 28 5.315 7.689 -13.640 1.00 1.34 H new ATOM 0 HB3 PRO A 28 4.417 6.927 -14.938 1.00 1.34 H new ATOM 0 HG2 PRO A 28 3.607 7.346 -12.067 1.00 2.14 H new ATOM 0 HG3 PRO A 28 2.655 7.565 -13.522 1.00 2.14 H new ATOM 0 HD2 PRO A 28 2.417 5.331 -11.984 1.00 33.31 H new ATOM 0 HD3 PRO A 28 2.182 5.277 -13.720 1.00 33.31 H new ATOM 462 N ASP A 29 5.854 5.827 -11.187 1.00 15.21 N ATOM 463 CA ASP A 29 6.748 5.998 -10.047 1.00 55.15 C ATOM 464 C ASP A 29 5.957 6.106 -8.748 1.00 34.15 C ATOM 465 O ASP A 29 6.239 6.959 -7.907 1.00 45.13 O ATOM 466 CB ASP A 29 7.616 7.243 -10.235 1.00 53.24 C ATOM 467 CG ASP A 29 9.038 7.036 -9.752 1.00 74.11 C ATOM 468 OD1 ASP A 29 9.692 6.083 -10.224 1.00 61.43 O ATOM 469 OD2 ASP A 29 9.496 7.827 -8.902 1.00 43.43 O ATOM 0 H ASP A 29 4.862 5.825 -10.949 1.00 15.21 H new ATOM 0 HA ASP A 29 7.392 5.121 -9.987 1.00 55.15 H new ATOM 0 HB2 ASP A 29 7.630 7.517 -11.290 1.00 53.24 H new ATOM 0 HB3 ASP A 29 7.170 8.078 -9.695 1.00 53.24 H new ATOM 474 N GLU A 30 4.964 5.235 -8.591 1.00 0.53 N ATOM 475 CA GLU A 30 4.131 5.235 -7.394 1.00 3.14 C ATOM 476 C GLU A 30 3.331 6.530 -7.287 1.00 40.01 C ATOM 477 O GLU A 30 3.597 7.368 -6.426 1.00 0.43 O ATOM 478 CB GLU A 30 4.996 5.053 -6.144 1.00 74.42 C ATOM 479 CG GLU A 30 6.008 3.925 -6.263 1.00 54.55 C ATOM 480 CD GLU A 30 6.526 3.462 -4.916 1.00 33.40 C ATOM 481 OE1 GLU A 30 5.731 2.891 -4.140 1.00 72.41 O ATOM 482 OE2 GLU A 30 7.725 3.670 -4.637 1.00 71.42 O ATOM 0 H GLU A 30 4.717 4.522 -9.277 1.00 0.53 H new ATOM 0 HA GLU A 30 3.432 4.402 -7.469 1.00 3.14 H new ATOM 0 HB2 GLU A 30 5.525 5.984 -5.940 1.00 74.42 H new ATOM 0 HB3 GLU A 30 4.348 4.860 -5.289 1.00 74.42 H new ATOM 0 HG2 GLU A 30 5.549 3.083 -6.780 1.00 54.55 H new ATOM 0 HG3 GLU A 30 6.846 4.257 -6.876 1.00 54.55 H new ATOM 489 N VAL A 31 2.349 6.686 -8.170 1.00 4.53 N ATOM 490 CA VAL A 31 1.509 7.878 -8.176 1.00 4.23 C ATOM 491 C VAL A 31 0.246 7.664 -7.350 1.00 73.13 C ATOM 492 O VAL A 31 -0.584 8.564 -7.221 1.00 3.50 O ATOM 493 CB VAL A 31 1.112 8.277 -9.609 1.00 54.32 C ATOM 494 CG1 VAL A 31 2.321 8.789 -10.376 1.00 63.13 C ATOM 495 CG2 VAL A 31 0.471 7.101 -10.331 1.00 13.43 C ATOM 0 H VAL A 31 2.116 6.002 -8.890 1.00 4.53 H new ATOM 0 HA VAL A 31 2.097 8.682 -7.733 1.00 4.23 H new ATOM 0 HB VAL A 31 0.380 9.083 -9.553 1.00 54.32 H new ATOM 0 HG11 VAL A 31 2.020 9.066 -11.386 1.00 63.13 H new ATOM 0 HG12 VAL A 31 2.732 9.661 -9.868 1.00 63.13 H new ATOM 0 HG13 VAL A 31 3.079 8.007 -10.424 1.00 63.13 H new ATOM 0 HG21 VAL A 31 0.197 7.401 -11.342 1.00 13.43 H new ATOM 0 HG22 VAL A 31 1.178 6.273 -10.377 1.00 13.43 H new ATOM 0 HG23 VAL A 31 -0.422 6.786 -9.791 1.00 13.43 H new ATOM 505 N ARG A 32 0.106 6.465 -6.793 1.00 54.51 N ATOM 506 CA ARG A 32 -1.058 6.132 -5.980 1.00 42.12 C ATOM 507 C ARG A 32 -0.993 6.832 -4.626 1.00 20.44 C ATOM 508 O ARG A 32 -2.022 7.160 -4.035 1.00 73.04 O ATOM 509 CB ARG A 32 -1.150 4.618 -5.781 1.00 12.35 C ATOM 510 CG ARG A 32 -2.496 4.156 -5.245 1.00 65.54 C ATOM 511 CD ARG A 32 -2.365 3.553 -3.855 1.00 42.32 C ATOM 512 NE ARG A 32 -3.458 3.961 -2.977 1.00 72.10 N ATOM 513 CZ ARG A 32 -3.431 3.822 -1.656 1.00 61.13 C ATOM 514 NH1 ARG A 32 -2.371 3.289 -1.064 1.00 71.33 N ATOM 515 NH2 ARG A 32 -4.465 4.217 -0.925 1.00 10.12 N ATOM 0 H ARG A 32 0.784 5.709 -6.890 1.00 54.51 H new ATOM 0 HA ARG A 32 -1.949 6.477 -6.505 1.00 42.12 H new ATOM 0 HB2 ARG A 32 -0.958 4.122 -6.733 1.00 12.35 H new ATOM 0 HB3 ARG A 32 -0.366 4.302 -5.093 1.00 12.35 H new ATOM 0 HG2 ARG A 32 -3.185 5.000 -5.213 1.00 65.54 H new ATOM 0 HG3 ARG A 32 -2.926 3.419 -5.924 1.00 65.54 H new ATOM 0 HD2 ARG A 32 -2.348 2.466 -3.932 1.00 42.32 H new ATOM 0 HD3 ARG A 32 -1.415 3.857 -3.416 1.00 42.32 H new ATOM 0 HE ARG A 32 -4.288 4.376 -3.401 1.00 72.10 H new ATOM 0 HH11 ARG A 32 -1.574 2.985 -1.623 1.00 71.33 H new ATOM 0 HH12 ARG A 32 -2.353 3.183 -0.050 1.00 71.33 H new ATOM 0 HH21 ARG A 32 -5.282 4.628 -1.377 1.00 10.12 H new ATOM 0 HH22 ARG A 32 -4.443 4.110 0.089 1.00 10.12 H new ATOM 529 N ASP A 33 0.223 7.056 -4.139 1.00 34.40 N ATOM 530 CA ASP A 33 0.422 7.716 -2.854 1.00 42.44 C ATOM 531 C ASP A 33 0.871 9.161 -3.050 1.00 41.14 C ATOM 532 O ASP A 33 0.516 10.043 -2.268 1.00 1.11 O ATOM 533 CB ASP A 33 1.456 6.957 -2.021 1.00 74.21 C ATOM 534 CG ASP A 33 0.875 6.421 -0.727 1.00 2.21 C ATOM 535 OD1 ASP A 33 -0.051 5.586 -0.793 1.00 13.15 O ATOM 536 OD2 ASP A 33 1.348 6.837 0.351 1.00 30.45 O ATOM 0 H ASP A 33 1.085 6.790 -4.615 1.00 34.40 H new ATOM 0 HA ASP A 33 -0.530 7.718 -2.323 1.00 42.44 H new ATOM 0 HB2 ASP A 33 1.854 6.129 -2.608 1.00 74.21 H new ATOM 0 HB3 ASP A 33 2.292 7.618 -1.794 1.00 74.21 H new ATOM 541 N ILE A 34 1.654 9.395 -4.098 1.00 52.13 N ATOM 542 CA ILE A 34 2.151 10.732 -4.396 1.00 51.54 C ATOM 543 C ILE A 34 1.572 11.255 -5.707 1.00 30.41 C ATOM 544 O ILE A 34 1.911 10.769 -6.786 1.00 63.35 O ATOM 545 CB ILE A 34 3.688 10.755 -4.482 1.00 44.42 C ATOM 546 CG1 ILE A 34 4.301 10.183 -3.202 1.00 50.02 C ATOM 547 CG2 ILE A 34 4.184 12.173 -4.725 1.00 42.12 C ATOM 548 CD1 ILE A 34 4.980 8.846 -3.403 1.00 11.23 C ATOM 0 H ILE A 34 1.958 8.676 -4.755 1.00 52.13 H new ATOM 0 HA ILE A 34 1.831 11.377 -3.577 1.00 51.54 H new ATOM 0 HB ILE A 34 3.999 10.133 -5.321 1.00 44.42 H new ATOM 0 HG12 ILE A 34 5.026 10.894 -2.807 1.00 50.02 H new ATOM 0 HG13 ILE A 34 3.519 10.075 -2.451 1.00 50.02 H new ATOM 0 HG21 ILE A 34 5.272 12.173 -4.783 1.00 42.12 H new ATOM 0 HG22 ILE A 34 3.770 12.548 -5.661 1.00 42.12 H new ATOM 0 HG23 ILE A 34 3.865 12.816 -3.905 1.00 42.12 H new ATOM 0 HD11 ILE A 34 5.392 8.501 -2.455 1.00 11.23 H new ATOM 0 HD12 ILE A 34 4.254 8.120 -3.769 1.00 11.23 H new ATOM 0 HD13 ILE A 34 5.785 8.952 -4.130 1.00 11.23 H new ATOM 560 N THR A 35 0.696 12.250 -5.606 1.00 23.11 N ATOM 561 CA THR A 35 0.070 12.839 -6.783 1.00 2.54 C ATOM 562 C THR A 35 0.753 14.145 -7.173 1.00 1.34 C ATOM 563 O THR A 35 0.550 15.179 -6.534 1.00 70.01 O ATOM 564 CB THR A 35 -1.428 13.107 -6.547 1.00 12.42 C ATOM 565 OG1 THR A 35 -1.638 13.574 -5.209 1.00 70.23 O ATOM 566 CG2 THR A 35 -2.247 11.848 -6.784 1.00 71.53 C ATOM 0 H THR A 35 0.404 12.665 -4.721 1.00 23.11 H new ATOM 0 HA THR A 35 0.179 12.119 -7.594 1.00 2.54 H new ATOM 0 HB THR A 35 -1.753 13.871 -7.253 1.00 12.42 H new ATOM 0 HG1 THR A 35 -1.022 14.312 -5.020 1.00 70.23 H new ATOM 0 HG21 THR A 35 -3.302 12.062 -6.611 1.00 71.53 H new ATOM 0 HG22 THR A 35 -2.109 11.512 -7.812 1.00 71.53 H new ATOM 0 HG23 THR A 35 -1.919 11.066 -6.099 1.00 71.53 H new ATOM 574 N LEU A 36 1.563 14.093 -8.224 1.00 73.25 N ATOM 575 CA LEU A 36 2.276 15.273 -8.701 1.00 12.02 C ATOM 576 C LEU A 36 1.817 15.657 -10.104 1.00 64.41 C ATOM 577 O LEU A 36 1.356 14.822 -10.883 1.00 0.11 O ATOM 578 CB LEU A 36 3.784 15.018 -8.696 1.00 41.24 C ATOM 579 CG LEU A 36 4.575 15.688 -7.572 1.00 53.31 C ATOM 580 CD1 LEU A 36 4.041 15.259 -6.215 1.00 33.35 C ATOM 581 CD2 LEU A 36 6.056 15.360 -7.693 1.00 12.22 C ATOM 0 H LEU A 36 1.743 13.246 -8.763 1.00 73.25 H new ATOM 0 HA LEU A 36 2.052 16.100 -8.027 1.00 12.02 H new ATOM 0 HB2 LEU A 36 3.950 13.942 -8.638 1.00 41.24 H new ATOM 0 HB3 LEU A 36 4.192 15.353 -9.650 1.00 41.24 H new ATOM 0 HG LEU A 36 4.454 16.768 -7.662 1.00 53.31 H new ATOM 0 HD11 LEU A 36 4.616 15.746 -5.427 1.00 33.35 H new ATOM 0 HD12 LEU A 36 2.993 15.546 -6.129 1.00 33.35 H new ATOM 0 HD13 LEU A 36 4.131 14.177 -6.114 1.00 33.35 H new ATOM 0 HD21 LEU A 36 6.603 15.845 -6.885 1.00 12.22 H new ATOM 0 HD22 LEU A 36 6.196 14.281 -7.629 1.00 12.22 H new ATOM 0 HD23 LEU A 36 6.431 15.719 -8.652 1.00 12.22 H new ATOM 593 N PRO A 37 1.949 16.949 -10.437 1.00 54.31 N ATOM 594 CA PRO A 37 1.556 17.473 -11.749 1.00 22.41 C ATOM 595 C PRO A 37 2.477 16.991 -12.865 1.00 21.44 C ATOM 596 O PRO A 37 3.700 17.059 -12.745 1.00 12.31 O ATOM 597 CB PRO A 37 1.674 18.989 -11.576 1.00 23.12 C ATOM 598 CG PRO A 37 2.674 19.169 -10.486 1.00 31.00 C ATOM 599 CD PRO A 37 2.491 17.999 -9.559 1.00 12.53 C ATOM 0 HA PRO A 37 0.559 17.140 -12.039 1.00 22.41 H new ATOM 0 HB2 PRO A 37 2.003 19.468 -12.498 1.00 23.12 H new ATOM 0 HB3 PRO A 37 0.715 19.433 -11.310 1.00 23.12 H new ATOM 0 HG2 PRO A 37 3.687 19.195 -10.886 1.00 31.00 H new ATOM 0 HG3 PRO A 37 2.514 20.111 -9.962 1.00 31.00 H new ATOM 0 HD2 PRO A 37 3.434 17.695 -9.104 1.00 12.53 H new ATOM 0 HD3 PRO A 37 1.806 18.235 -8.745 1.00 12.53 H new ATOM 607 N GLU A 38 1.881 16.503 -13.949 1.00 4.44 N ATOM 608 CA GLU A 38 2.650 16.010 -15.085 1.00 61.21 C ATOM 609 C GLU A 38 1.743 15.755 -16.286 1.00 3.31 C ATOM 610 O GLU A 38 1.815 16.459 -17.292 1.00 44.13 O ATOM 611 CB GLU A 38 3.390 14.724 -14.709 1.00 52.22 C ATOM 612 CG GLU A 38 4.128 14.084 -15.873 1.00 3.52 C ATOM 613 CD GLU A 38 5.193 13.104 -15.420 1.00 1.41 C ATOM 614 OE1 GLU A 38 5.887 12.539 -16.291 1.00 1.01 O ATOM 615 OE2 GLU A 38 5.332 12.902 -14.196 1.00 3.44 O ATOM 0 H GLU A 38 0.870 16.439 -14.064 1.00 4.44 H new ATOM 0 HA GLU A 38 3.379 16.774 -15.357 1.00 61.21 H new ATOM 0 HB2 GLU A 38 4.103 14.944 -13.915 1.00 52.22 H new ATOM 0 HB3 GLU A 38 2.674 14.008 -14.305 1.00 52.22 H new ATOM 0 HG2 GLU A 38 3.412 13.567 -16.512 1.00 3.52 H new ATOM 0 HG3 GLU A 38 4.591 14.864 -16.478 1.00 3.52 H new ATOM 622 N GLY A 39 0.890 14.742 -16.171 1.00 53.24 N ATOM 623 CA GLY A 39 -0.018 14.411 -17.254 1.00 14.41 C ATOM 624 C GLY A 39 -0.130 12.917 -17.481 1.00 64.12 C ATOM 625 O GLY A 39 -0.960 12.462 -18.268 1.00 64.12 O ATOM 0 H GLY A 39 0.811 14.145 -15.348 1.00 53.24 H new ATOM 0 HA2 GLY A 39 -1.005 14.817 -17.033 1.00 14.41 H new ATOM 0 HA3 GLY A 39 0.325 14.890 -18.171 1.00 14.41 H new ATOM 629 N SER A 40 0.710 12.151 -16.792 1.00 31.12 N ATOM 630 CA SER A 40 0.706 10.699 -16.926 1.00 60.15 C ATOM 631 C SER A 40 0.803 10.026 -15.560 1.00 53.45 C ATOM 632 O SER A 40 1.851 10.054 -14.915 1.00 70.15 O ATOM 633 CB SER A 40 1.866 10.245 -17.814 1.00 63.14 C ATOM 634 OG SER A 40 3.014 11.049 -17.604 1.00 23.41 O ATOM 0 H SER A 40 1.402 12.512 -16.135 1.00 31.12 H new ATOM 0 HA SER A 40 -0.235 10.405 -17.390 1.00 60.15 H new ATOM 0 HB2 SER A 40 2.104 9.203 -17.602 1.00 63.14 H new ATOM 0 HB3 SER A 40 1.568 10.297 -18.861 1.00 63.14 H new ATOM 0 HG SER A 40 3.742 10.738 -18.182 1.00 23.41 H new ATOM 640 N ASP A 41 -0.298 9.423 -15.126 1.00 52.01 N ATOM 641 CA ASP A 41 -0.339 8.742 -13.837 1.00 70.24 C ATOM 642 C ASP A 41 -0.303 7.228 -14.022 1.00 34.14 C ATOM 643 O ASP A 41 0.193 6.499 -13.163 1.00 21.03 O ATOM 644 CB ASP A 41 -1.595 9.144 -13.063 1.00 52.42 C ATOM 645 CG ASP A 41 -1.282 9.614 -11.656 1.00 53.42 C ATOM 646 OD1 ASP A 41 -0.279 10.337 -11.481 1.00 3.00 O ATOM 647 OD2 ASP A 41 -2.041 9.260 -10.730 1.00 55.33 O ATOM 0 H ASP A 41 -1.174 9.392 -15.648 1.00 52.01 H new ATOM 0 HA ASP A 41 0.540 9.042 -13.267 1.00 70.24 H new ATOM 0 HB2 ASP A 41 -2.112 9.938 -13.602 1.00 52.42 H new ATOM 0 HB3 ASP A 41 -2.277 8.295 -13.016 1.00 52.42 H new ATOM 652 N VAL A 42 -0.834 6.761 -15.147 1.00 54.13 N ATOM 653 CA VAL A 42 -0.863 5.334 -15.445 1.00 15.04 C ATOM 654 C VAL A 42 -0.102 5.024 -16.728 1.00 42.54 C ATOM 655 O VAL A 42 -0.207 5.752 -17.715 1.00 54.44 O ATOM 656 CB VAL A 42 -2.308 4.818 -15.581 1.00 15.51 C ATOM 657 CG1 VAL A 42 -2.317 3.329 -15.888 1.00 33.34 C ATOM 658 CG2 VAL A 42 -3.101 5.116 -14.317 1.00 72.31 C ATOM 0 H VAL A 42 -1.250 7.351 -15.868 1.00 54.13 H new ATOM 0 HA VAL A 42 -0.381 4.827 -14.609 1.00 15.04 H new ATOM 0 HB VAL A 42 -2.784 5.338 -16.412 1.00 15.51 H new ATOM 0 HG11 VAL A 42 -3.346 2.983 -15.980 1.00 33.34 H new ATOM 0 HG12 VAL A 42 -1.788 3.147 -16.823 1.00 33.34 H new ATOM 0 HG13 VAL A 42 -1.823 2.788 -15.081 1.00 33.34 H new ATOM 0 HG21 VAL A 42 -4.120 4.745 -14.430 1.00 72.31 H new ATOM 0 HG22 VAL A 42 -2.628 4.625 -13.467 1.00 72.31 H new ATOM 0 HG23 VAL A 42 -3.124 6.192 -14.147 1.00 72.31 H new ATOM 668 N TRP A 43 0.665 3.940 -16.708 1.00 12.33 N ATOM 669 CA TRP A 43 1.445 3.534 -17.871 1.00 73.43 C ATOM 670 C TRP A 43 0.983 2.175 -18.388 1.00 45.41 C ATOM 671 O TRP A 43 1.156 1.155 -17.721 1.00 11.21 O ATOM 672 CB TRP A 43 2.933 3.481 -17.521 1.00 14.33 C ATOM 673 CG TRP A 43 3.816 4.037 -18.596 1.00 62.44 C ATOM 674 CD1 TRP A 43 3.543 4.093 -19.933 1.00 64.34 C ATOM 675 CD2 TRP A 43 5.116 4.612 -18.426 1.00 0.03 C ATOM 676 NE1 TRP A 43 4.595 4.668 -20.604 1.00 44.41 N ATOM 677 CE2 TRP A 43 5.572 4.997 -19.702 1.00 22.33 C ATOM 678 CE3 TRP A 43 5.938 4.842 -17.319 1.00 70.22 C ATOM 679 CZ2 TRP A 43 6.813 5.596 -19.899 1.00 3.23 C ATOM 680 CZ3 TRP A 43 7.170 5.437 -17.516 1.00 74.34 C ATOM 681 CH2 TRP A 43 7.598 5.809 -18.798 1.00 15.14 C ATOM 0 H TRP A 43 0.763 3.326 -15.899 1.00 12.33 H new ATOM 0 HA TRP A 43 1.291 4.273 -18.657 1.00 73.43 H new ATOM 0 HB2 TRP A 43 3.102 4.037 -16.599 1.00 14.33 H new ATOM 0 HB3 TRP A 43 3.217 2.447 -17.327 1.00 14.33 H new ATOM 0 HD1 TRP A 43 2.634 3.738 -20.395 1.00 64.34 H new ATOM 0 HE1 TRP A 43 4.641 4.825 -21.611 1.00 44.41 H new ATOM 0 HE3 TRP A 43 5.616 4.560 -16.327 1.00 70.22 H new ATOM 0 HZ2 TRP A 43 7.145 5.883 -20.886 1.00 3.23 H new ATOM 0 HZ3 TRP A 43 7.814 5.618 -16.668 1.00 74.34 H new ATOM 0 HH2 TRP A 43 8.566 6.273 -18.919 1.00 15.14 H new ATOM 692 N VAL A 44 0.396 2.169 -19.581 1.00 24.13 N ATOM 693 CA VAL A 44 -0.088 0.935 -20.187 1.00 75.14 C ATOM 694 C VAL A 44 0.906 0.397 -21.210 1.00 3.50 C ATOM 695 O VAL A 44 1.149 1.023 -22.243 1.00 25.13 O ATOM 696 CB VAL A 44 -1.451 1.145 -20.874 1.00 70.22 C ATOM 697 CG1 VAL A 44 -2.024 -0.184 -21.341 1.00 34.52 C ATOM 698 CG2 VAL A 44 -2.417 1.851 -19.935 1.00 52.54 C ATOM 0 H VAL A 44 0.244 3.005 -20.146 1.00 24.13 H new ATOM 0 HA VAL A 44 -0.202 0.210 -19.381 1.00 75.14 H new ATOM 0 HB VAL A 44 -1.304 1.777 -21.750 1.00 70.22 H new ATOM 0 HG11 VAL A 44 -2.987 -0.016 -21.824 1.00 34.52 H new ATOM 0 HG12 VAL A 44 -1.338 -0.647 -22.051 1.00 34.52 H new ATOM 0 HG13 VAL A 44 -2.158 -0.844 -20.484 1.00 34.52 H new ATOM 0 HG21 VAL A 44 -3.375 1.991 -20.436 1.00 52.54 H new ATOM 0 HG22 VAL A 44 -2.561 1.246 -19.040 1.00 52.54 H new ATOM 0 HG23 VAL A 44 -2.008 2.822 -19.655 1.00 52.54 H new ATOM 708 N CYS A 45 1.478 -0.765 -20.916 1.00 43.22 N ATOM 709 CA CYS A 45 2.448 -1.387 -21.810 1.00 70.54 C ATOM 710 C CYS A 45 1.785 -2.458 -22.671 1.00 51.10 C ATOM 711 O CYS A 45 1.597 -3.593 -22.232 1.00 34.03 O ATOM 712 CB CYS A 45 3.595 -2.001 -21.005 1.00 54.05 C ATOM 713 SG CYS A 45 4.282 -0.903 -19.744 1.00 55.52 S ATOM 0 H CYS A 45 1.287 -1.295 -20.066 1.00 43.22 H new ATOM 0 HA CYS A 45 2.848 -0.614 -22.467 1.00 70.54 H new ATOM 0 HB2 CYS A 45 3.240 -2.912 -20.524 1.00 54.05 H new ATOM 0 HB3 CYS A 45 4.391 -2.292 -21.691 1.00 54.05 H new ATOM 0 HG CYS A 45 5.540 -1.179 -19.567 1.00 55.52 H new ATOM 719 N CYS A 46 1.432 -2.089 -23.897 1.00 53.31 N ATOM 720 CA CYS A 46 0.787 -3.017 -24.819 1.00 53.22 C ATOM 721 C CYS A 46 1.796 -4.010 -25.386 1.00 21.15 C ATOM 722 O CYS A 46 3.000 -3.889 -25.154 1.00 51.41 O ATOM 723 CB CYS A 46 0.113 -2.251 -25.958 1.00 54.33 C ATOM 724 SG CYS A 46 -1.228 -1.161 -25.423 1.00 65.04 S ATOM 0 H CYS A 46 1.581 -1.154 -24.276 1.00 53.31 H new ATOM 0 HA CYS A 46 0.030 -3.572 -24.266 1.00 53.22 H new ATOM 0 HB2 CYS A 46 0.865 -1.656 -26.477 1.00 54.33 H new ATOM 0 HB3 CYS A 46 -0.281 -2.967 -26.680 1.00 54.33 H new ATOM 0 HG CYS A 46 -1.734 -0.556 -26.456 1.00 65.04 H new ATOM 730 N LEU A 47 1.298 -4.993 -26.127 1.00 63.41 N ATOM 731 CA LEU A 47 2.156 -6.010 -26.726 1.00 4.12 C ATOM 732 C LEU A 47 3.046 -5.404 -27.806 1.00 41.24 C ATOM 733 O LEU A 47 2.762 -4.338 -28.353 1.00 41.12 O ATOM 734 CB LEU A 47 1.308 -7.136 -27.320 1.00 4.03 C ATOM 735 CG LEU A 47 1.026 -7.044 -28.820 1.00 22.22 C ATOM 736 CD1 LEU A 47 0.233 -8.254 -29.289 1.00 23.12 C ATOM 737 CD2 LEU A 47 0.281 -5.757 -29.145 1.00 24.55 C ATOM 0 H LEU A 47 0.305 -5.108 -26.328 1.00 63.41 H new ATOM 0 HA LEU A 47 2.794 -6.419 -25.943 1.00 4.12 H new ATOM 0 HB2 LEU A 47 1.809 -8.084 -27.122 1.00 4.03 H new ATOM 0 HB3 LEU A 47 0.355 -7.163 -26.792 1.00 4.03 H new ATOM 0 HG LEU A 47 1.979 -7.032 -29.349 1.00 22.22 H new ATOM 0 HD11 LEU A 47 0.042 -8.171 -30.359 1.00 23.12 H new ATOM 0 HD12 LEU A 47 0.803 -9.162 -29.092 1.00 23.12 H new ATOM 0 HD13 LEU A 47 -0.715 -8.298 -28.753 1.00 23.12 H new ATOM 0 HD21 LEU A 47 0.089 -5.709 -30.217 1.00 24.55 H new ATOM 0 HD22 LEU A 47 -0.666 -5.739 -28.605 1.00 24.55 H new ATOM 0 HD23 LEU A 47 0.886 -4.901 -28.846 1.00 24.55 H new ATOM 749 N PRO A 48 4.148 -6.099 -28.124 1.00 43.14 N ATOM 750 CA PRO A 48 5.101 -5.650 -29.144 1.00 53.42 C ATOM 751 C PRO A 48 4.523 -5.732 -30.553 1.00 63.41 C ATOM 752 O PRO A 48 4.341 -6.822 -31.096 1.00 72.02 O ATOM 753 CB PRO A 48 6.272 -6.622 -28.988 1.00 63.45 C ATOM 754 CG PRO A 48 5.669 -7.850 -28.398 1.00 63.22 C ATOM 755 CD PRO A 48 4.549 -7.377 -27.513 1.00 64.12 C ATOM 0 HA PRO A 48 5.378 -4.604 -29.011 1.00 53.42 H new ATOM 0 HB2 PRO A 48 6.741 -6.834 -29.949 1.00 63.45 H new ATOM 0 HB3 PRO A 48 7.045 -6.210 -28.340 1.00 63.45 H new ATOM 0 HG2 PRO A 48 5.296 -8.515 -29.177 1.00 63.22 H new ATOM 0 HG3 PRO A 48 6.408 -8.412 -27.826 1.00 63.22 H new ATOM 0 HD2 PRO A 48 3.724 -8.089 -27.493 1.00 64.12 H new ATOM 0 HD3 PRO A 48 4.880 -7.244 -26.483 1.00 64.12 H new ATOM 763 N ARG A 49 4.238 -4.574 -31.140 1.00 23.42 N ATOM 764 CA ARG A 49 3.681 -4.517 -32.486 1.00 12.44 C ATOM 765 C ARG A 49 3.931 -3.151 -33.120 1.00 23.53 C ATOM 766 O ARG A 49 4.135 -3.046 -34.329 1.00 53.33 O ATOM 767 CB ARG A 49 2.179 -4.807 -32.452 1.00 23.34 C ATOM 768 CG ARG A 49 1.355 -3.685 -31.841 1.00 64.40 C ATOM 769 CD ARG A 49 0.821 -2.743 -32.908 1.00 0.52 C ATOM 770 NE ARG A 49 -0.441 -3.213 -33.472 1.00 33.24 N ATOM 771 CZ ARG A 49 -0.914 -2.817 -34.648 1.00 42.11 C ATOM 772 NH1 ARG A 49 -0.232 -1.948 -35.381 1.00 41.05 N ATOM 773 NH2 ARG A 49 -2.071 -3.290 -35.094 1.00 25.55 N ATOM 0 H ARG A 49 4.384 -3.663 -30.705 1.00 23.42 H new ATOM 0 HA ARG A 49 4.178 -5.276 -33.090 1.00 12.44 H new ATOM 0 HB2 ARG A 49 1.830 -4.991 -33.468 1.00 23.34 H new ATOM 0 HB3 ARG A 49 2.007 -5.722 -31.886 1.00 23.34 H new ATOM 0 HG2 ARG A 49 0.523 -4.108 -31.278 1.00 64.40 H new ATOM 0 HG3 ARG A 49 1.967 -3.126 -31.134 1.00 64.40 H new ATOM 0 HD2 ARG A 49 0.679 -1.752 -32.478 1.00 0.52 H new ATOM 0 HD3 ARG A 49 1.558 -2.642 -33.704 1.00 0.52 H new ATOM 0 HE ARG A 49 -0.990 -3.883 -32.933 1.00 33.24 H new ATOM 0 HH11 ARG A 49 0.658 -1.582 -35.042 1.00 41.05 H new ATOM 0 HH12 ARG A 49 -0.597 -1.645 -36.284 1.00 41.05 H new ATOM 0 HH21 ARG A 49 -2.599 -3.959 -34.533 1.00 25.55 H new ATOM 0 HH22 ARG A 49 -2.433 -2.985 -35.998 1.00 25.55 H new ATOM 787 N ASP A 50 3.914 -2.110 -32.295 1.00 63.12 N ATOM 788 CA ASP A 50 4.140 -0.751 -32.775 1.00 21.53 C ATOM 789 C ASP A 50 5.475 -0.212 -32.271 1.00 21.13 C ATOM 790 O ASP A 50 5.741 0.987 -32.350 1.00 1.10 O ATOM 791 CB ASP A 50 3.002 0.167 -32.325 1.00 24.51 C ATOM 792 CG ASP A 50 2.289 0.820 -33.493 1.00 25.34 C ATOM 793 OD1 ASP A 50 2.165 0.169 -34.552 1.00 2.15 O ATOM 794 OD2 ASP A 50 1.855 1.981 -33.347 1.00 40.22 O ATOM 0 H ASP A 50 3.746 -2.181 -31.291 1.00 63.12 H new ATOM 0 HA ASP A 50 4.167 -0.776 -33.864 1.00 21.53 H new ATOM 0 HB2 ASP A 50 2.284 -0.409 -31.741 1.00 24.51 H new ATOM 0 HB3 ASP A 50 3.401 0.940 -31.668 1.00 24.51 H new ATOM 799 N SER A 51 6.311 -1.106 -31.751 1.00 54.13 N ATOM 800 CA SER A 51 7.616 -0.719 -31.230 1.00 21.14 C ATOM 801 C SER A 51 7.470 0.077 -29.936 1.00 42.24 C ATOM 802 O SER A 51 7.819 1.257 -29.877 1.00 41.12 O ATOM 803 CB SER A 51 8.379 0.107 -32.267 1.00 62.20 C ATOM 804 OG SER A 51 9.779 -0.003 -32.077 1.00 1.24 O ATOM 0 H SER A 51 6.107 -2.103 -31.680 1.00 54.13 H new ATOM 0 HA SER A 51 8.178 -1.628 -31.016 1.00 21.14 H new ATOM 0 HB2 SER A 51 8.117 -0.231 -33.270 1.00 62.20 H new ATOM 0 HB3 SER A 51 8.080 1.153 -32.195 1.00 62.20 H new ATOM 0 HG SER A 51 10.244 0.533 -32.753 1.00 1.24 H new ATOM 810 N LEU A 52 6.952 -0.576 -28.902 1.00 60.03 N ATOM 811 CA LEU A 52 6.759 0.070 -27.608 1.00 70.54 C ATOM 812 C LEU A 52 5.725 1.187 -27.706 1.00 71.50 C ATOM 813 O LEU A 52 6.072 2.367 -27.762 1.00 24.32 O ATOM 814 CB LEU A 52 8.086 0.631 -27.093 1.00 75.33 C ATOM 815 CG LEU A 52 8.753 -0.154 -25.964 1.00 31.44 C ATOM 816 CD1 LEU A 52 9.144 -1.545 -26.439 1.00 31.24 C ATOM 817 CD2 LEU A 52 9.970 0.594 -25.441 1.00 1.35 C ATOM 0 H LEU A 52 6.658 -1.552 -28.934 1.00 60.03 H new ATOM 0 HA LEU A 52 6.392 -0.679 -26.907 1.00 70.54 H new ATOM 0 HB2 LEU A 52 8.782 0.688 -27.930 1.00 75.33 H new ATOM 0 HB3 LEU A 52 7.917 1.651 -26.749 1.00 75.33 H new ATOM 0 HG LEU A 52 8.037 -0.259 -25.149 1.00 31.44 H new ATOM 0 HD11 LEU A 52 9.617 -2.089 -25.622 1.00 31.24 H new ATOM 0 HD12 LEU A 52 8.253 -2.082 -26.764 1.00 31.24 H new ATOM 0 HD13 LEU A 52 9.842 -1.462 -27.272 1.00 31.24 H new ATOM 0 HD21 LEU A 52 10.432 0.020 -24.638 1.00 1.35 H new ATOM 0 HD22 LEU A 52 10.688 0.730 -26.249 1.00 1.35 H new ATOM 0 HD23 LEU A 52 9.663 1.568 -25.061 1.00 1.35 H new ATOM 829 N THR A 53 4.451 0.807 -27.724 1.00 71.22 N ATOM 830 CA THR A 53 3.366 1.776 -27.814 1.00 32.42 C ATOM 831 C THR A 53 2.830 2.130 -26.431 1.00 75.25 C ATOM 832 O THR A 53 1.622 2.281 -26.243 1.00 13.21 O ATOM 833 CB THR A 53 2.208 1.244 -28.680 1.00 44.33 C ATOM 834 OG1 THR A 53 2.655 0.135 -29.467 1.00 61.34 O ATOM 835 CG2 THR A 53 1.670 2.336 -29.593 1.00 4.01 C ATOM 0 H THR A 53 4.146 -0.165 -27.677 1.00 71.22 H new ATOM 0 HA THR A 53 3.778 2.670 -28.281 1.00 32.42 H new ATOM 0 HB THR A 53 1.406 0.919 -28.017 1.00 44.33 H new ATOM 0 HG1 THR A 53 1.906 -0.477 -29.625 1.00 61.34 H new ATOM 0 HG21 THR A 53 0.853 1.937 -30.195 1.00 4.01 H new ATOM 0 HG22 THR A 53 1.304 3.167 -28.990 1.00 4.01 H new ATOM 0 HG23 THR A 53 2.467 2.687 -30.249 1.00 4.01 H new ATOM 843 N LEU A 54 3.734 2.262 -25.467 1.00 73.43 N ATOM 844 CA LEU A 54 3.351 2.599 -24.101 1.00 2.44 C ATOM 845 C LEU A 54 2.487 3.856 -24.072 1.00 4.32 C ATOM 846 O LEU A 54 2.898 4.915 -24.547 1.00 4.04 O ATOM 847 CB LEU A 54 4.597 2.803 -23.237 1.00 1.21 C ATOM 848 CG LEU A 54 5.686 1.738 -23.368 1.00 22.11 C ATOM 849 CD1 LEU A 54 6.955 2.340 -23.952 1.00 14.30 C ATOM 850 CD2 LEU A 54 5.971 1.097 -22.017 1.00 53.23 C ATOM 0 H LEU A 54 4.737 2.141 -25.606 1.00 73.43 H new ATOM 0 HA LEU A 54 2.768 1.771 -23.698 1.00 2.44 H new ATOM 0 HB2 LEU A 54 5.032 3.771 -23.485 1.00 1.21 H new ATOM 0 HB3 LEU A 54 4.287 2.851 -22.193 1.00 1.21 H new ATOM 0 HG LEU A 54 5.329 0.964 -24.048 1.00 22.11 H new ATOM 0 HD11 LEU A 54 7.719 1.567 -24.038 1.00 14.30 H new ATOM 0 HD12 LEU A 54 6.742 2.751 -24.939 1.00 14.30 H new ATOM 0 HD13 LEU A 54 7.315 3.135 -23.298 1.00 14.30 H new ATOM 0 HD21 LEU A 54 6.749 0.341 -22.130 1.00 53.23 H new ATOM 0 HD22 LEU A 54 6.306 1.861 -21.315 1.00 53.23 H new ATOM 0 HD23 LEU A 54 5.063 0.629 -21.637 1.00 53.23 H new ATOM 862 N SER A 55 1.289 3.732 -23.510 1.00 23.02 N ATOM 863 CA SER A 55 0.367 4.858 -23.420 1.00 75.51 C ATOM 864 C SER A 55 0.300 5.393 -21.993 1.00 32.10 C ATOM 865 O SER A 55 -0.134 4.696 -21.076 1.00 63.44 O ATOM 866 CB SER A 55 -1.029 4.438 -23.885 1.00 53.33 C ATOM 867 OG SER A 55 -1.557 5.368 -24.816 1.00 32.51 O ATOM 0 H SER A 55 0.934 2.863 -23.110 1.00 23.02 H new ATOM 0 HA SER A 55 0.736 5.652 -24.070 1.00 75.51 H new ATOM 0 HB2 SER A 55 -0.982 3.449 -24.341 1.00 53.33 H new ATOM 0 HB3 SER A 55 -1.695 4.361 -23.025 1.00 53.33 H new ATOM 0 HG SER A 55 -2.449 5.077 -25.099 1.00 32.51 H new ATOM 873 N ALA A 56 0.733 6.637 -21.813 1.00 71.55 N ATOM 874 CA ALA A 56 0.721 7.267 -20.500 1.00 10.45 C ATOM 875 C ALA A 56 -0.344 8.356 -20.423 1.00 10.02 C ATOM 876 O ALA A 56 -0.451 9.197 -21.315 1.00 22.11 O ATOM 877 CB ALA A 56 2.092 7.844 -20.178 1.00 71.15 C ATOM 0 H ALA A 56 1.096 7.228 -22.561 1.00 71.55 H new ATOM 0 HA ALA A 56 0.477 6.504 -19.761 1.00 10.45 H new ATOM 0 HB1 ALA A 56 2.068 8.312 -19.194 1.00 71.15 H new ATOM 0 HB2 ALA A 56 2.833 7.045 -20.182 1.00 71.15 H new ATOM 0 HB3 ALA A 56 2.358 8.589 -20.927 1.00 71.15 H new ATOM 883 N ALA A 57 -1.130 8.334 -19.352 1.00 34.43 N ATOM 884 CA ALA A 57 -2.186 9.320 -19.158 1.00 73.35 C ATOM 885 C ALA A 57 -2.523 9.481 -17.680 1.00 33.40 C ATOM 886 O ALA A 57 -2.503 8.513 -16.920 1.00 52.24 O ATOM 887 CB ALA A 57 -3.428 8.925 -19.945 1.00 24.22 C ATOM 0 H ALA A 57 -1.055 7.644 -18.605 1.00 34.43 H new ATOM 0 HA ALA A 57 -1.825 10.280 -19.527 1.00 73.35 H new ATOM 0 HB1 ALA A 57 -4.209 9.670 -19.791 1.00 24.22 H new ATOM 0 HB2 ALA A 57 -3.184 8.869 -21.006 1.00 24.22 H new ATOM 0 HB3 ALA A 57 -3.782 7.953 -19.602 1.00 24.22 H new ATOM 893 N ASN A 58 -2.832 10.709 -17.279 1.00 11.55 N ATOM 894 CA ASN A 58 -3.172 10.997 -15.890 1.00 32.12 C ATOM 895 C ASN A 58 -4.616 11.477 -15.771 1.00 64.14 C ATOM 896 O ASN A 58 -4.933 12.614 -16.119 1.00 2.55 O ATOM 897 CB ASN A 58 -2.223 12.053 -15.319 1.00 35.44 C ATOM 898 CG ASN A 58 -2.550 12.406 -13.880 1.00 52.15 C ATOM 899 OD1 ASN A 58 -3.422 11.795 -13.262 1.00 25.31 O ATOM 900 ND2 ASN A 58 -1.850 13.398 -13.341 1.00 74.35 N ATOM 0 H ASN A 58 -2.854 11.521 -17.896 1.00 11.55 H new ATOM 0 HA ASN A 58 -3.066 10.075 -15.318 1.00 32.12 H new ATOM 0 HB2 ASN A 58 -1.198 11.686 -15.376 1.00 35.44 H new ATOM 0 HB3 ASN A 58 -2.274 12.953 -15.932 1.00 35.44 H new ATOM 0 HD21 ASN A 58 -2.026 13.681 -12.377 1.00 74.35 H new ATOM 0 HD22 ASN A 58 -1.137 13.876 -13.891 1.00 74.35 H new ATOM 907 N SER A 59 -5.486 10.602 -15.278 1.00 60.43 N ATOM 908 CA SER A 59 -6.896 10.934 -15.117 1.00 15.53 C ATOM 909 C SER A 59 -7.488 11.445 -16.427 1.00 63.02 C ATOM 910 O SER A 59 -8.387 12.285 -16.429 1.00 30.24 O ATOM 911 CB SER A 59 -7.072 11.987 -14.021 1.00 5.43 C ATOM 912 OG SER A 59 -6.649 11.489 -12.763 1.00 11.40 O ATOM 0 H SER A 59 -5.239 9.657 -14.983 1.00 60.43 H new ATOM 0 HA SER A 59 -7.426 10.026 -14.829 1.00 15.53 H new ATOM 0 HB2 SER A 59 -6.499 12.879 -14.274 1.00 5.43 H new ATOM 0 HB3 SER A 59 -8.119 12.286 -13.964 1.00 5.43 H new ATOM 0 HG SER A 59 -5.670 11.486 -12.725 1.00 11.40 H new ATOM 918 N GLU A 60 -6.975 10.931 -17.541 1.00 21.33 N ATOM 919 CA GLU A 60 -7.451 11.335 -18.858 1.00 53.01 C ATOM 920 C GLU A 60 -8.066 10.152 -19.601 1.00 41.31 C ATOM 921 O GLU A 60 -8.946 10.325 -20.444 1.00 72.33 O ATOM 922 CB GLU A 60 -6.305 11.928 -19.680 1.00 24.51 C ATOM 923 CG GLU A 60 -6.689 13.184 -20.443 1.00 43.01 C ATOM 924 CD GLU A 60 -5.942 13.320 -21.756 1.00 10.31 C ATOM 925 OE1 GLU A 60 -4.875 12.687 -21.899 1.00 73.24 O ATOM 926 OE2 GLU A 60 -6.424 14.060 -22.639 1.00 63.11 O ATOM 0 H GLU A 60 -6.230 10.234 -17.557 1.00 21.33 H new ATOM 0 HA GLU A 60 -8.220 12.095 -18.720 1.00 53.01 H new ATOM 0 HB2 GLU A 60 -5.473 12.158 -19.015 1.00 24.51 H new ATOM 0 HB3 GLU A 60 -5.950 11.178 -20.387 1.00 24.51 H new ATOM 0 HG2 GLU A 60 -7.761 13.172 -20.639 1.00 43.01 H new ATOM 0 HG3 GLU A 60 -6.488 14.057 -19.823 1.00 43.01 H new ATOM 933 N ASP A 61 -7.595 8.952 -19.282 1.00 61.22 N ATOM 934 CA ASP A 61 -8.098 7.740 -19.918 1.00 65.52 C ATOM 935 C ASP A 61 -9.265 7.156 -19.129 1.00 55.11 C ATOM 936 O ASP A 61 -9.081 6.611 -18.041 1.00 42.44 O ATOM 937 CB ASP A 61 -6.980 6.702 -20.042 1.00 15.22 C ATOM 938 CG ASP A 61 -7.402 5.490 -20.849 1.00 54.54 C ATOM 939 OD1 ASP A 61 -7.442 4.380 -20.278 1.00 42.50 O ATOM 940 OD2 ASP A 61 -7.694 5.652 -22.053 1.00 11.33 O ATOM 0 H ASP A 61 -6.866 8.792 -18.587 1.00 61.22 H new ATOM 0 HA ASP A 61 -8.452 8.003 -20.915 1.00 65.52 H new ATOM 0 HB2 ASP A 61 -6.111 7.163 -20.511 1.00 15.22 H new ATOM 0 HB3 ASP A 61 -6.673 6.383 -19.046 1.00 15.22 H new ATOM 945 N GLU A 62 -10.467 7.275 -19.685 1.00 51.41 N ATOM 946 CA GLU A 62 -11.665 6.761 -19.031 1.00 41.24 C ATOM 947 C GLU A 62 -12.685 6.284 -20.062 1.00 4.24 C ATOM 948 O GLU A 62 -13.873 6.167 -19.766 1.00 71.34 O ATOM 949 CB GLU A 62 -12.289 7.838 -18.141 1.00 22.53 C ATOM 950 CG GLU A 62 -12.569 7.367 -16.723 1.00 55.24 C ATOM 951 CD GLU A 62 -13.486 8.309 -15.967 1.00 3.22 C ATOM 952 OE1 GLU A 62 -12.988 9.331 -15.449 1.00 52.10 O ATOM 953 OE2 GLU A 62 -14.699 8.025 -15.892 1.00 72.21 O ATOM 0 H GLU A 62 -10.637 7.722 -20.586 1.00 51.41 H new ATOM 0 HA GLU A 62 -11.375 5.912 -18.412 1.00 41.24 H new ATOM 0 HB2 GLU A 62 -11.621 8.699 -18.104 1.00 22.53 H new ATOM 0 HB3 GLU A 62 -13.221 8.177 -18.593 1.00 22.53 H new ATOM 0 HG2 GLU A 62 -13.020 6.375 -16.756 1.00 55.24 H new ATOM 0 HG3 GLU A 62 -11.627 7.271 -16.183 1.00 55.24 H new ATOM 960 N GLY A 63 -12.210 6.011 -21.273 1.00 41.13 N ATOM 961 CA GLY A 63 -13.092 5.551 -22.329 1.00 75.04 C ATOM 962 C GLY A 63 -13.631 4.158 -22.069 1.00 43.04 C ATOM 963 O GLY A 63 -14.617 3.991 -21.352 1.00 5.31 O ATOM 0 H GLY A 63 -11.230 6.100 -21.542 1.00 41.13 H new ATOM 0 HA2 GLY A 63 -13.925 6.246 -22.431 1.00 75.04 H new ATOM 0 HA3 GLY A 63 -12.553 5.558 -23.277 1.00 75.04 H new ATOM 967 N GLN A 64 -12.983 3.156 -22.655 1.00 51.13 N ATOM 968 CA GLN A 64 -13.405 1.771 -22.485 1.00 20.24 C ATOM 969 C GLN A 64 -12.240 0.899 -22.028 1.00 3.31 C ATOM 970 O GLN A 64 -11.190 0.862 -22.671 1.00 54.43 O ATOM 971 CB GLN A 64 -13.983 1.227 -23.792 1.00 64.42 C ATOM 972 CG GLN A 64 -15.502 1.207 -23.825 1.00 13.14 C ATOM 973 CD GLN A 64 -16.098 2.575 -24.092 1.00 1.44 C ATOM 974 OE1 GLN A 64 -15.760 3.231 -25.078 1.00 24.24 O ATOM 975 NE2 GLN A 64 -16.991 3.015 -23.212 1.00 63.52 N ATOM 0 H GLN A 64 -12.164 3.278 -23.251 1.00 51.13 H new ATOM 0 HA GLN A 64 -14.178 1.745 -21.717 1.00 20.24 H new ATOM 0 HB2 GLN A 64 -13.618 1.834 -24.621 1.00 64.42 H new ATOM 0 HB3 GLN A 64 -13.611 0.215 -23.950 1.00 64.42 H new ATOM 0 HG2 GLN A 64 -15.836 0.513 -24.596 1.00 13.14 H new ATOM 0 HG3 GLN A 64 -15.877 0.831 -22.873 1.00 13.14 H new ATOM 0 HE21 GLN A 64 -17.242 2.439 -22.409 1.00 63.52 H new ATOM 0 HE22 GLN A 64 -17.425 3.929 -23.340 1.00 63.52 H new ATOM 984 N ILE A 65 -12.431 0.200 -20.914 1.00 52.14 N ATOM 985 CA ILE A 65 -11.396 -0.671 -20.373 1.00 30.52 C ATOM 986 C ILE A 65 -11.995 -1.964 -19.829 1.00 61.20 C ATOM 987 O ILE A 65 -13.083 -1.962 -19.253 1.00 40.00 O ATOM 988 CB ILE A 65 -10.603 0.025 -19.251 1.00 54.42 C ATOM 989 CG1 ILE A 65 -9.566 -0.931 -18.659 1.00 74.44 C ATOM 990 CG2 ILE A 65 -11.547 0.528 -18.169 1.00 33.42 C ATOM 991 CD1 ILE A 65 -8.265 -0.257 -18.287 1.00 43.31 C ATOM 0 H ILE A 65 -13.293 0.220 -20.369 1.00 52.14 H new ATOM 0 HA ILE A 65 -10.719 -0.904 -21.195 1.00 30.52 H new ATOM 0 HB ILE A 65 -10.078 0.881 -19.675 1.00 54.42 H new ATOM 0 HG12 ILE A 65 -9.986 -1.406 -17.772 1.00 74.44 H new ATOM 0 HG13 ILE A 65 -9.362 -1.724 -19.379 1.00 74.44 H new ATOM 0 HG21 ILE A 65 -10.972 1.017 -17.383 1.00 33.42 H new ATOM 0 HG22 ILE A 65 -12.250 1.240 -18.602 1.00 33.42 H new ATOM 0 HG23 ILE A 65 -12.097 -0.313 -17.746 1.00 33.42 H new ATOM 0 HD11 ILE A 65 -7.578 -0.995 -17.874 1.00 43.31 H new ATOM 0 HD12 ILE A 65 -7.822 0.194 -19.175 1.00 43.31 H new ATOM 0 HD13 ILE A 65 -8.456 0.517 -17.544 1.00 43.31 H new ATOM 1003 N ARG A 66 -11.276 -3.067 -20.014 1.00 53.44 N ATOM 1004 CA ARG A 66 -11.736 -4.367 -19.542 1.00 13.11 C ATOM 1005 C ARG A 66 -10.689 -5.021 -18.645 1.00 13.10 C ATOM 1006 O ARG A 66 -9.491 -4.783 -18.797 1.00 1.32 O ATOM 1007 CB ARG A 66 -12.051 -5.282 -20.727 1.00 13.31 C ATOM 1008 CG ARG A 66 -13.539 -5.459 -20.981 1.00 34.25 C ATOM 1009 CD ARG A 66 -13.816 -6.681 -21.842 1.00 62.41 C ATOM 1010 NE ARG A 66 -14.967 -6.484 -22.719 1.00 32.25 N ATOM 1011 CZ ARG A 66 -14.948 -5.703 -23.793 1.00 11.25 C ATOM 1012 NH1 ARG A 66 -13.842 -5.049 -24.121 1.00 73.23 N ATOM 1013 NH2 ARG A 66 -16.036 -5.574 -24.541 1.00 35.44 N ATOM 0 H ARG A 66 -10.373 -3.086 -20.487 1.00 53.44 H new ATOM 0 HA ARG A 66 -12.644 -4.213 -18.959 1.00 13.11 H new ATOM 0 HB2 ARG A 66 -11.584 -4.875 -21.624 1.00 13.31 H new ATOM 0 HB3 ARG A 66 -11.602 -6.259 -20.550 1.00 13.31 H new ATOM 0 HG2 ARG A 66 -14.062 -5.557 -20.030 1.00 34.25 H new ATOM 0 HG3 ARG A 66 -13.934 -4.570 -21.472 1.00 34.25 H new ATOM 0 HD2 ARG A 66 -12.936 -6.907 -22.444 1.00 62.41 H new ATOM 0 HD3 ARG A 66 -13.993 -7.544 -21.200 1.00 62.41 H new ATOM 0 HE ARG A 66 -15.833 -6.973 -22.494 1.00 32.25 H new ATOM 0 HH11 ARG A 66 -13.004 -5.145 -23.548 1.00 73.23 H new ATOM 0 HH12 ARG A 66 -13.830 -4.450 -24.946 1.00 73.23 H new ATOM 0 HH21 ARG A 66 -16.889 -6.075 -24.292 1.00 35.44 H new ATOM 0 HH22 ARG A 66 -16.020 -4.974 -25.366 1.00 35.44 H new ATOM 1027 N TYR A 67 -11.150 -5.845 -17.711 1.00 31.12 N ATOM 1028 CA TYR A 67 -10.254 -6.531 -16.787 1.00 71.14 C ATOM 1029 C TYR A 67 -9.895 -7.920 -17.307 1.00 53.11 C ATOM 1030 O TYR A 67 -10.753 -8.797 -17.413 1.00 0.12 O ATOM 1031 CB TYR A 67 -10.900 -6.643 -15.405 1.00 50.23 C ATOM 1032 CG TYR A 67 -11.409 -5.325 -14.867 1.00 1.15 C ATOM 1033 CD1 TYR A 67 -12.714 -4.912 -15.106 1.00 43.52 C ATOM 1034 CD2 TYR A 67 -10.585 -4.493 -14.119 1.00 11.32 C ATOM 1035 CE1 TYR A 67 -13.183 -3.708 -14.617 1.00 10.15 C ATOM 1036 CE2 TYR A 67 -11.046 -3.288 -13.624 1.00 73.30 C ATOM 1037 CZ TYR A 67 -12.346 -2.900 -13.876 1.00 23.23 C ATOM 1038 OH TYR A 67 -12.808 -1.700 -13.386 1.00 34.43 O ATOM 0 H TYR A 67 -12.139 -6.054 -17.573 1.00 31.12 H new ATOM 0 HA TYR A 67 -9.339 -5.945 -16.706 1.00 71.14 H new ATOM 0 HB2 TYR A 67 -11.729 -7.349 -15.456 1.00 50.23 H new ATOM 0 HB3 TYR A 67 -10.173 -7.055 -14.705 1.00 50.23 H new ATOM 0 HD1 TYR A 67 -13.373 -5.543 -15.684 1.00 43.52 H new ATOM 0 HD2 TYR A 67 -9.567 -4.793 -13.921 1.00 11.32 H new ATOM 0 HE1 TYR A 67 -14.200 -3.401 -14.814 1.00 10.15 H new ATOM 0 HE2 TYR A 67 -10.393 -2.654 -13.043 1.00 73.30 H new ATOM 0 HH TYR A 67 -12.093 -1.254 -12.885 1.00 34.43 H new ATOM 1048 N PHE A 68 -8.621 -8.112 -17.630 1.00 23.51 N ATOM 1049 CA PHE A 68 -8.146 -9.394 -18.139 1.00 52.12 C ATOM 1050 C PHE A 68 -7.417 -10.176 -17.050 1.00 51.43 C ATOM 1051 O PHE A 68 -6.716 -9.598 -16.219 1.00 4.41 O ATOM 1052 CB PHE A 68 -7.218 -9.179 -19.337 1.00 12.14 C ATOM 1053 CG PHE A 68 -7.568 -10.026 -20.526 1.00 72.51 C ATOM 1054 CD1 PHE A 68 -8.849 -10.007 -21.055 1.00 2.23 C ATOM 1055 CD2 PHE A 68 -6.617 -10.843 -21.115 1.00 63.43 C ATOM 1056 CE1 PHE A 68 -9.174 -10.785 -22.150 1.00 32.34 C ATOM 1057 CE2 PHE A 68 -6.936 -11.624 -22.210 1.00 51.34 C ATOM 1058 CZ PHE A 68 -8.217 -11.596 -22.727 1.00 44.44 C ATOM 0 H PHE A 68 -7.898 -7.397 -17.549 1.00 23.51 H new ATOM 0 HA PHE A 68 -9.012 -9.973 -18.459 1.00 52.12 H new ATOM 0 HB2 PHE A 68 -7.250 -8.129 -19.627 1.00 12.14 H new ATOM 0 HB3 PHE A 68 -6.193 -9.396 -19.036 1.00 12.14 H new ATOM 0 HD1 PHE A 68 -9.602 -9.377 -20.606 1.00 2.23 H new ATOM 0 HD2 PHE A 68 -5.615 -10.870 -20.714 1.00 63.43 H new ATOM 0 HE1 PHE A 68 -10.175 -10.759 -22.554 1.00 32.34 H new ATOM 0 HE2 PHE A 68 -6.185 -12.255 -22.661 1.00 51.34 H new ATOM 0 HZ PHE A 68 -8.469 -12.207 -23.581 1.00 44.44 H new ATOM 1068 N LEU A 69 -7.588 -11.493 -17.061 1.00 13.11 N ATOM 1069 CA LEU A 69 -6.948 -12.356 -16.074 1.00 44.33 C ATOM 1070 C LEU A 69 -7.271 -13.822 -16.342 1.00 31.24 C ATOM 1071 O LEU A 69 -6.388 -14.642 -16.595 1.00 11.11 O ATOM 1072 CB LEU A 69 -7.397 -11.971 -14.663 1.00 63.44 C ATOM 1073 CG LEU A 69 -6.350 -11.277 -13.792 1.00 23.34 C ATOM 1074 CD1 LEU A 69 -6.976 -10.128 -13.018 1.00 54.53 C ATOM 1075 CD2 LEU A 69 -5.703 -12.273 -12.840 1.00 34.14 C ATOM 0 H LEU A 69 -8.164 -11.987 -17.742 1.00 13.11 H new ATOM 0 HA LEU A 69 -5.869 -12.221 -16.154 1.00 44.33 H new ATOM 0 HB2 LEU A 69 -8.264 -11.316 -14.745 1.00 63.44 H new ATOM 0 HB3 LEU A 69 -7.727 -12.874 -14.149 1.00 63.44 H new ATOM 0 HG LEU A 69 -5.576 -10.871 -14.443 1.00 23.34 H new ATOM 0 HD11 LEU A 69 -6.215 -9.646 -12.404 1.00 54.53 H new ATOM 0 HD12 LEU A 69 -7.391 -9.402 -13.717 1.00 54.53 H new ATOM 0 HD13 LEU A 69 -7.771 -10.511 -12.378 1.00 54.53 H new ATOM 0 HD21 LEU A 69 -4.960 -11.761 -12.228 1.00 34.14 H new ATOM 0 HD22 LEU A 69 -6.466 -12.709 -12.196 1.00 34.14 H new ATOM 0 HD23 LEU A 69 -5.218 -13.063 -13.414 1.00 34.14 H new ATOM 1087 N PRO A 70 -8.567 -14.162 -16.286 1.00 74.03 N ATOM 1088 CA PRO A 70 -9.038 -15.530 -16.522 1.00 62.23 C ATOM 1089 C PRO A 70 -8.889 -15.951 -17.980 1.00 63.13 C ATOM 1090 O PRO A 70 -9.029 -17.128 -18.314 1.00 52.21 O ATOM 1091 CB PRO A 70 -10.517 -15.469 -16.132 1.00 23.11 C ATOM 1092 CG PRO A 70 -10.900 -14.042 -16.321 1.00 42.01 C ATOM 1093 CD PRO A 70 -9.674 -13.237 -15.990 1.00 1.33 C ATOM 0 HA PRO A 70 -8.463 -16.262 -15.954 1.00 62.23 H new ATOM 0 HB2 PRO A 70 -11.119 -16.127 -16.759 1.00 23.11 H new ATOM 0 HB3 PRO A 70 -10.668 -15.786 -15.100 1.00 23.11 H new ATOM 0 HG2 PRO A 70 -11.223 -13.857 -17.345 1.00 42.01 H new ATOM 0 HG3 PRO A 70 -11.732 -13.772 -15.670 1.00 42.01 H new ATOM 0 HD2 PRO A 70 -9.613 -12.331 -16.594 1.00 1.33 H new ATOM 0 HD3 PRO A 70 -9.668 -12.925 -14.946 1.00 1.33 H new ATOM 1101 N ASP A 71 -8.603 -14.983 -18.844 1.00 70.32 N ATOM 1102 CA ASP A 71 -8.433 -15.254 -20.267 1.00 72.11 C ATOM 1103 C ASP A 71 -9.618 -16.043 -20.815 1.00 70.23 C ATOM 1104 O ASP A 71 -9.461 -16.878 -21.706 1.00 74.23 O ATOM 1105 CB ASP A 71 -7.135 -16.025 -20.510 1.00 22.22 C ATOM 1106 CG ASP A 71 -5.921 -15.118 -20.544 1.00 65.04 C ATOM 1107 OD1 ASP A 71 -5.048 -15.261 -19.663 1.00 5.35 O ATOM 1108 OD2 ASP A 71 -5.843 -14.266 -21.454 1.00 22.02 O ATOM 0 H ASP A 71 -8.484 -14.004 -18.584 1.00 70.32 H new ATOM 0 HA ASP A 71 -8.382 -14.299 -20.790 1.00 72.11 H new ATOM 0 HB2 ASP A 71 -7.006 -16.770 -19.725 1.00 22.22 H new ATOM 0 HB3 ASP A 71 -7.208 -16.565 -21.454 1.00 22.22 H new ATOM 1113 N ARG A 72 -10.802 -15.774 -20.276 1.00 54.40 N ATOM 1114 CA ARG A 72 -12.013 -16.460 -20.710 1.00 33.04 C ATOM 1115 C ARG A 72 -13.115 -15.459 -21.045 1.00 71.12 C ATOM 1116 O ARG A 72 -14.300 -15.792 -21.015 1.00 11.34 O ATOM 1117 CB ARG A 72 -12.497 -17.422 -19.623 1.00 0.45 C ATOM 1118 CG ARG A 72 -11.682 -18.702 -19.535 1.00 52.23 C ATOM 1119 CD ARG A 72 -12.154 -19.585 -18.391 1.00 23.30 C ATOM 1120 NE ARG A 72 -11.614 -20.939 -18.486 1.00 42.13 N ATOM 1121 CZ ARG A 72 -12.134 -21.984 -17.852 1.00 42.11 C ATOM 1122 NH1 ARG A 72 -13.202 -21.832 -17.081 1.00 44.41 N ATOM 1123 NH2 ARG A 72 -11.586 -23.185 -17.989 1.00 2.40 N ATOM 0 H ARG A 72 -10.949 -15.086 -19.538 1.00 54.40 H new ATOM 0 HA ARG A 72 -11.776 -17.028 -21.610 1.00 33.04 H new ATOM 0 HB2 ARG A 72 -12.465 -16.914 -18.659 1.00 0.45 H new ATOM 0 HB3 ARG A 72 -13.539 -17.677 -19.814 1.00 0.45 H new ATOM 0 HG2 ARG A 72 -11.760 -19.249 -20.474 1.00 52.23 H new ATOM 0 HG3 ARG A 72 -10.629 -18.456 -19.396 1.00 52.23 H new ATOM 0 HD2 ARG A 72 -11.853 -19.141 -17.442 1.00 23.30 H new ATOM 0 HD3 ARG A 72 -13.243 -19.628 -18.392 1.00 23.30 H new ATOM 0 HE ARG A 72 -10.792 -21.090 -19.071 1.00 42.13 H new ATOM 0 HH11 ARG A 72 -13.626 -20.911 -16.974 1.00 44.41 H new ATOM 0 HH12 ARG A 72 -13.599 -22.636 -16.595 1.00 44.41 H new ATOM 0 HH21 ARG A 72 -10.765 -23.306 -18.582 1.00 2.40 H new ATOM 0 HH22 ARG A 72 -11.986 -23.987 -17.502 1.00 2.40 H new ATOM 1137 N ASP A 73 -12.716 -14.233 -21.365 1.00 21.05 N ATOM 1138 CA ASP A 73 -13.669 -13.183 -21.706 1.00 61.44 C ATOM 1139 C ASP A 73 -13.855 -13.090 -23.218 1.00 1.54 C ATOM 1140 O ASP A 73 -14.060 -12.005 -23.760 1.00 54.45 O ATOM 1141 CB ASP A 73 -13.198 -11.837 -21.153 1.00 61.54 C ATOM 1142 CG ASP A 73 -14.280 -10.777 -21.212 1.00 22.04 C ATOM 1143 OD1 ASP A 73 -14.050 -9.729 -21.851 1.00 0.11 O ATOM 1144 OD2 ASP A 73 -15.357 -10.996 -20.619 1.00 3.43 O ATOM 0 H ASP A 73 -11.739 -13.942 -21.395 1.00 21.05 H new ATOM 0 HA ASP A 73 -14.628 -13.436 -21.254 1.00 61.44 H new ATOM 0 HB2 ASP A 73 -12.875 -11.965 -20.120 1.00 61.54 H new ATOM 0 HB3 ASP A 73 -12.330 -11.498 -21.719 1.00 61.54 H new ATOM 1149 N GLU A 74 -13.780 -14.234 -23.890 1.00 51.33 N ATOM 1150 CA GLU A 74 -13.938 -14.279 -25.339 1.00 74.02 C ATOM 1151 C GLU A 74 -12.881 -13.421 -26.029 1.00 75.30 C ATOM 1152 O GLU A 74 -13.181 -12.683 -26.966 1.00 43.51 O ATOM 1153 CB GLU A 74 -15.337 -13.802 -25.737 1.00 21.42 C ATOM 1154 CG GLU A 74 -16.458 -14.575 -25.062 1.00 1.20 C ATOM 1155 CD GLU A 74 -17.815 -14.286 -25.673 1.00 15.34 C ATOM 1156 OE1 GLU A 74 -18.484 -15.245 -26.112 1.00 41.22 O ATOM 1157 OE2 GLU A 74 -18.209 -13.101 -25.711 1.00 72.43 O ATOM 0 H GLU A 74 -13.611 -15.141 -23.455 1.00 51.33 H new ATOM 0 HA GLU A 74 -13.809 -15.312 -25.661 1.00 74.02 H new ATOM 0 HB2 GLU A 74 -15.435 -12.745 -25.490 1.00 21.42 H new ATOM 0 HB3 GLU A 74 -15.447 -13.888 -26.818 1.00 21.42 H new ATOM 0 HG2 GLU A 74 -16.252 -15.643 -25.133 1.00 1.20 H new ATOM 0 HG3 GLU A 74 -16.480 -14.324 -24.002 1.00 1.20 H new ATOM 1164 N GLY A 75 -11.643 -13.525 -25.557 1.00 22.11 N ATOM 1165 CA GLY A 75 -10.560 -12.754 -26.139 1.00 11.43 C ATOM 1166 C GLY A 75 -9.272 -13.546 -26.240 1.00 31.54 C ATOM 1167 O GLY A 75 -8.530 -13.416 -27.212 1.00 44.53 O ATOM 0 H GLY A 75 -11.370 -14.129 -24.782 1.00 22.11 H new ATOM 0 HA2 GLY A 75 -10.853 -12.415 -27.133 1.00 11.43 H new ATOM 0 HA3 GLY A 75 -10.388 -11.863 -25.536 1.00 11.43 H new ATOM 1171 N MET A 76 -9.006 -14.370 -25.231 1.00 64.13 N ATOM 1172 CA MET A 76 -7.798 -15.187 -25.211 1.00 44.20 C ATOM 1173 C MET A 76 -7.637 -15.953 -26.520 1.00 52.23 C ATOM 1174 O MET A 76 -6.520 -16.220 -26.961 1.00 5.03 O ATOM 1175 CB MET A 76 -7.837 -16.165 -24.036 1.00 35.43 C ATOM 1176 CG MET A 76 -6.686 -17.158 -24.032 1.00 12.10 C ATOM 1177 SD MET A 76 -7.234 -18.858 -24.282 1.00 44.43 S ATOM 1178 CE MET A 76 -7.511 -19.377 -22.591 1.00 10.54 C ATOM 0 H MET A 76 -9.610 -14.489 -24.418 1.00 64.13 H new ATOM 0 HA MET A 76 -6.943 -14.522 -25.093 1.00 44.20 H new ATOM 0 HB2 MET A 76 -7.822 -15.601 -23.104 1.00 35.43 H new ATOM 0 HB3 MET A 76 -8.779 -16.713 -24.062 1.00 35.43 H new ATOM 0 HG2 MET A 76 -5.977 -16.890 -24.816 1.00 12.10 H new ATOM 0 HG3 MET A 76 -6.154 -17.088 -23.083 1.00 12.10 H new ATOM 0 HE1 MET A 76 -7.312 -20.445 -22.501 1.00 10.54 H new ATOM 0 HE2 MET A 76 -6.844 -18.826 -21.928 1.00 10.54 H new ATOM 0 HE3 MET A 76 -8.546 -19.176 -22.314 1.00 10.54 H new ATOM 1188 N MET A 77 -8.761 -16.303 -27.137 1.00 60.41 N ATOM 1189 CA MET A 77 -8.744 -17.038 -28.397 1.00 23.13 C ATOM 1190 C MET A 77 -8.029 -16.239 -29.482 1.00 70.52 C ATOM 1191 O MET A 77 -7.262 -16.794 -30.269 1.00 12.40 O ATOM 1192 CB MET A 77 -10.171 -17.363 -28.842 1.00 41.41 C ATOM 1193 CG MET A 77 -11.062 -16.138 -28.966 1.00 13.42 C ATOM 1194 SD MET A 77 -11.253 -15.587 -30.672 1.00 54.01 S ATOM 1195 CE MET A 77 -12.932 -16.112 -31.011 1.00 61.03 C ATOM 0 H MET A 77 -9.694 -16.090 -26.785 1.00 60.41 H new ATOM 0 HA MET A 77 -8.200 -17.969 -28.239 1.00 23.13 H new ATOM 0 HB2 MET A 77 -10.135 -17.875 -29.804 1.00 41.41 H new ATOM 0 HB3 MET A 77 -10.617 -18.056 -28.128 1.00 41.41 H new ATOM 0 HG2 MET A 77 -12.044 -16.364 -28.549 1.00 13.42 H new ATOM 0 HG3 MET A 77 -10.642 -15.327 -28.371 1.00 13.42 H new ATOM 0 HE1 MET A 77 -13.199 -15.841 -32.033 1.00 61.03 H new ATOM 0 HE2 MET A 77 -13.006 -17.193 -30.891 1.00 61.03 H new ATOM 0 HE3 MET A 77 -13.614 -15.622 -30.316 1.00 61.03 H new ATOM 1205 N GLU A 78 -8.286 -14.936 -29.518 1.00 14.30 N ATOM 1206 CA GLU A 78 -7.668 -14.063 -30.508 1.00 44.44 C ATOM 1207 C GLU A 78 -6.354 -13.489 -29.984 1.00 34.25 C ATOM 1208 O GLU A 78 -5.504 -13.051 -30.757 1.00 40.13 O ATOM 1209 CB GLU A 78 -8.620 -12.925 -30.884 1.00 4.03 C ATOM 1210 CG GLU A 78 -8.093 -12.032 -31.994 1.00 41.15 C ATOM 1211 CD GLU A 78 -9.203 -11.402 -32.813 1.00 33.31 C ATOM 1212 OE1 GLU A 78 -9.840 -10.450 -32.315 1.00 31.55 O ATOM 1213 OE2 GLU A 78 -9.436 -11.861 -33.951 1.00 3.13 O ATOM 0 H GLU A 78 -8.918 -14.462 -28.873 1.00 14.30 H new ATOM 0 HA GLU A 78 -7.456 -14.658 -31.396 1.00 44.44 H new ATOM 0 HB2 GLU A 78 -9.575 -13.349 -31.193 1.00 4.03 H new ATOM 0 HB3 GLU A 78 -8.812 -12.317 -30.000 1.00 4.03 H new ATOM 0 HG2 GLU A 78 -7.476 -11.245 -31.560 1.00 41.15 H new ATOM 0 HG3 GLU A 78 -7.449 -12.617 -32.651 1.00 41.15 H new ATOM 1220 N GLU A 79 -6.198 -13.496 -28.663 1.00 52.13 N ATOM 1221 CA GLU A 79 -4.990 -12.975 -28.035 1.00 63.22 C ATOM 1222 C GLU A 79 -4.044 -14.110 -27.650 1.00 55.22 C ATOM 1223 O GLU A 79 -3.164 -13.940 -26.808 1.00 34.24 O ATOM 1224 CB GLU A 79 -5.347 -12.151 -26.796 1.00 64.51 C ATOM 1225 CG GLU A 79 -6.446 -11.131 -27.039 1.00 60.34 C ATOM 1226 CD GLU A 79 -6.147 -9.788 -26.402 1.00 31.31 C ATOM 1227 OE1 GLU A 79 -5.338 -9.751 -25.451 1.00 12.41 O ATOM 1228 OE2 GLU A 79 -6.722 -8.776 -26.853 1.00 44.31 O ATOM 0 H GLU A 79 -6.892 -13.856 -28.009 1.00 52.13 H new ATOM 0 HA GLU A 79 -4.485 -12.333 -28.756 1.00 63.22 H new ATOM 0 HB2 GLU A 79 -5.659 -12.826 -25.999 1.00 64.51 H new ATOM 0 HB3 GLU A 79 -4.454 -11.634 -26.444 1.00 64.51 H new ATOM 0 HG2 GLU A 79 -6.582 -10.998 -28.112 1.00 60.34 H new ATOM 0 HG3 GLU A 79 -7.387 -11.515 -26.644 1.00 60.34 H new ATOM 1235 N GLY A 80 -4.235 -15.268 -28.274 1.00 64.35 N ATOM 1236 CA GLY A 80 -3.393 -16.414 -27.984 1.00 61.31 C ATOM 1237 C GLY A 80 -3.464 -17.475 -29.065 1.00 40.41 C ATOM 1238 O GLY A 80 -2.458 -18.103 -29.396 1.00 74.03 O ATOM 0 H GLY A 80 -4.957 -15.433 -28.975 1.00 64.35 H new ATOM 0 HA2 GLY A 80 -2.361 -16.083 -27.871 1.00 61.31 H new ATOM 0 HA3 GLY A 80 -3.694 -16.850 -27.031 1.00 61.31 H new ATOM 1242 N LYS A 81 -4.656 -17.676 -29.616 1.00 61.24 N ATOM 1243 CA LYS A 81 -4.856 -18.668 -30.666 1.00 70.12 C ATOM 1244 C LYS A 81 -4.925 -18.003 -32.037 1.00 43.02 C ATOM 1245 O LYS A 81 -5.450 -18.578 -32.992 1.00 4.22 O ATOM 1246 CB LYS A 81 -6.138 -19.462 -30.408 1.00 73.41 C ATOM 1247 CG LYS A 81 -5.931 -20.967 -30.400 1.00 25.02 C ATOM 1248 CD LYS A 81 -7.100 -21.695 -31.042 1.00 3.03 C ATOM 1249 CE LYS A 81 -6.790 -22.090 -32.477 1.00 61.04 C ATOM 1250 NZ LYS A 81 -8.002 -22.576 -33.193 1.00 31.43 N ATOM 0 H LYS A 81 -5.499 -17.165 -29.353 1.00 61.24 H new ATOM 0 HA LYS A 81 -4.005 -19.349 -30.654 1.00 70.12 H new ATOM 0 HB2 LYS A 81 -6.558 -19.156 -29.450 1.00 73.41 H new ATOM 0 HB3 LYS A 81 -6.872 -19.209 -31.173 1.00 73.41 H new ATOM 0 HG2 LYS A 81 -5.012 -21.211 -30.933 1.00 25.02 H new ATOM 0 HG3 LYS A 81 -5.806 -21.312 -29.374 1.00 25.02 H new ATOM 0 HD2 LYS A 81 -7.338 -22.586 -30.461 1.00 3.03 H new ATOM 0 HD3 LYS A 81 -7.983 -21.056 -31.022 1.00 3.03 H new ATOM 0 HE2 LYS A 81 -6.374 -21.234 -33.008 1.00 61.04 H new ATOM 0 HE3 LYS A 81 -6.028 -22.869 -32.483 1.00 61.04 H new ATOM 0 HZ1 LYS A 81 -7.749 -22.835 -34.168 1.00 31.43 H new ATOM 0 HZ2 LYS A 81 -8.385 -23.409 -32.702 1.00 31.43 H new ATOM 0 HZ3 LYS A 81 -8.720 -21.824 -33.210 1.00 31.43 H new ATOM 1264 N LEU A 82 -4.391 -16.790 -32.129 1.00 24.14 N ATOM 1265 CA LEU A 82 -4.390 -16.047 -33.384 1.00 61.10 C ATOM 1266 C LEU A 82 -3.010 -15.464 -33.671 1.00 10.33 C ATOM 1267 O LEU A 82 -2.408 -15.747 -34.707 1.00 33.23 O ATOM 1268 CB LEU A 82 -5.430 -14.926 -33.337 1.00 31.52 C ATOM 1269 CG LEU A 82 -6.736 -15.191 -34.087 1.00 40.21 C ATOM 1270 CD1 LEU A 82 -6.478 -15.315 -35.581 1.00 23.34 C ATOM 1271 CD2 LEU A 82 -7.412 -16.446 -33.555 1.00 14.45 C ATOM 0 H LEU A 82 -3.953 -16.300 -31.349 1.00 24.14 H new ATOM 0 HA LEU A 82 -4.646 -16.738 -34.187 1.00 61.10 H new ATOM 0 HB2 LEU A 82 -5.669 -14.722 -32.293 1.00 31.52 H new ATOM 0 HB3 LEU A 82 -4.978 -14.021 -33.743 1.00 31.52 H new ATOM 0 HG LEU A 82 -7.404 -14.346 -33.923 1.00 40.21 H new ATOM 0 HD11 LEU A 82 -7.419 -15.503 -36.098 1.00 23.34 H new ATOM 0 HD12 LEU A 82 -6.039 -14.389 -35.952 1.00 23.34 H new ATOM 0 HD13 LEU A 82 -5.791 -16.141 -35.764 1.00 23.34 H new ATOM 0 HD21 LEU A 82 -8.340 -16.619 -34.101 1.00 14.45 H new ATOM 0 HD22 LEU A 82 -6.749 -17.301 -33.688 1.00 14.45 H new ATOM 0 HD23 LEU A 82 -7.633 -16.319 -32.495 1.00 14.45 H new ATOM 1283 N ASP A 83 -2.514 -14.650 -32.746 1.00 2.33 N ATOM 1284 CA ASP A 83 -1.203 -14.029 -32.897 1.00 40.11 C ATOM 1285 C ASP A 83 -0.252 -14.492 -31.798 1.00 61.52 C ATOM 1286 O ASP A 83 -0.552 -14.370 -30.611 1.00 75.12 O ATOM 1287 CB ASP A 83 -1.330 -12.505 -32.869 1.00 54.01 C ATOM 1288 CG ASP A 83 -2.613 -12.019 -33.514 1.00 74.35 C ATOM 1289 OD1 ASP A 83 -3.375 -11.289 -32.846 1.00 2.01 O ATOM 1290 OD2 ASP A 83 -2.856 -12.369 -34.688 1.00 44.24 O ATOM 0 H ASP A 83 -3.000 -14.405 -31.883 1.00 2.33 H new ATOM 0 HA ASP A 83 -0.793 -14.334 -33.860 1.00 40.11 H new ATOM 0 HB2 ASP A 83 -1.292 -12.159 -31.836 1.00 54.01 H new ATOM 0 HB3 ASP A 83 -0.477 -12.063 -33.384 1.00 54.01 H new ATOM 1295 N ALA A 84 0.896 -15.026 -32.203 1.00 22.14 N ATOM 1296 CA ALA A 84 1.891 -15.507 -31.253 1.00 25.24 C ATOM 1297 C ALA A 84 2.330 -14.395 -30.306 1.00 52.22 C ATOM 1298 O ALA A 84 2.694 -14.651 -29.159 1.00 11.25 O ATOM 1299 CB ALA A 84 3.093 -16.079 -31.991 1.00 11.40 C ATOM 0 H ALA A 84 1.159 -15.136 -33.182 1.00 22.14 H new ATOM 0 HA ALA A 84 1.435 -16.297 -30.657 1.00 25.24 H new ATOM 0 HB1 ALA A 84 3.828 -16.434 -31.269 1.00 11.40 H new ATOM 0 HB2 ALA A 84 2.772 -16.909 -32.621 1.00 11.40 H new ATOM 0 HB3 ALA A 84 3.541 -15.304 -32.613 1.00 11.40 H new ATOM 1305 N SER A 85 2.293 -13.159 -30.795 1.00 70.31 N ATOM 1306 CA SER A 85 2.691 -12.008 -29.994 1.00 10.13 C ATOM 1307 C SER A 85 1.766 -11.837 -28.792 1.00 43.53 C ATOM 1308 O SER A 85 2.216 -11.525 -27.689 1.00 32.54 O ATOM 1309 CB SER A 85 2.679 -10.738 -30.846 1.00 53.34 C ATOM 1310 OG SER A 85 3.132 -11.003 -32.163 1.00 11.44 O ATOM 0 H SER A 85 1.991 -12.930 -31.742 1.00 70.31 H new ATOM 0 HA SER A 85 3.703 -12.182 -29.630 1.00 10.13 H new ATOM 0 HB2 SER A 85 1.669 -10.329 -30.881 1.00 53.34 H new ATOM 0 HB3 SER A 85 3.314 -9.981 -30.385 1.00 53.34 H new ATOM 0 HG SER A 85 3.113 -10.176 -32.688 1.00 11.44 H new ATOM 1316 N CYS A 86 0.473 -12.041 -29.015 1.00 61.54 N ATOM 1317 CA CYS A 86 -0.517 -11.909 -27.952 1.00 64.11 C ATOM 1318 C CYS A 86 -0.338 -13.003 -26.904 1.00 53.11 C ATOM 1319 O CYS A 86 -0.359 -12.735 -25.703 1.00 52.03 O ATOM 1320 CB CYS A 86 -1.930 -11.968 -28.533 1.00 13.24 C ATOM 1321 SG CYS A 86 -2.300 -10.647 -29.711 1.00 22.11 S ATOM 0 H CYS A 86 0.085 -12.299 -29.923 1.00 61.54 H new ATOM 0 HA CYS A 86 -0.371 -10.942 -27.470 1.00 64.11 H new ATOM 0 HB2 CYS A 86 -2.068 -12.930 -29.027 1.00 13.24 H new ATOM 0 HB3 CYS A 86 -2.650 -11.923 -27.715 1.00 13.24 H new ATOM 0 HG CYS A 86 -2.829 -11.157 -30.783 1.00 22.11 H new ATOM 1327 N ALA A 87 -0.165 -14.236 -27.367 1.00 64.34 N ATOM 1328 CA ALA A 87 0.018 -15.371 -26.470 1.00 54.34 C ATOM 1329 C ALA A 87 1.276 -15.206 -25.626 1.00 5.03 C ATOM 1330 O ALA A 87 1.296 -15.560 -24.447 1.00 11.33 O ATOM 1331 CB ALA A 87 0.078 -16.667 -27.265 1.00 24.15 C ATOM 0 H ALA A 87 -0.148 -14.475 -28.358 1.00 64.34 H new ATOM 0 HA ALA A 87 -0.837 -15.411 -25.795 1.00 54.34 H new ATOM 0 HB1 ALA A 87 0.215 -17.506 -26.583 1.00 24.15 H new ATOM 0 HB2 ALA A 87 -0.852 -16.797 -27.819 1.00 24.15 H new ATOM 0 HB3 ALA A 87 0.914 -16.627 -27.963 1.00 24.15 H new ATOM 1337 N VAL A 88 2.327 -14.667 -26.236 1.00 61.45 N ATOM 1338 CA VAL A 88 3.591 -14.455 -25.540 1.00 75.52 C ATOM 1339 C VAL A 88 3.465 -13.349 -24.499 1.00 44.22 C ATOM 1340 O VAL A 88 3.956 -13.479 -23.378 1.00 51.11 O ATOM 1341 CB VAL A 88 4.720 -14.095 -26.524 1.00 12.13 C ATOM 1342 CG1 VAL A 88 5.987 -13.725 -25.769 1.00 4.41 C ATOM 1343 CG2 VAL A 88 4.978 -15.247 -27.483 1.00 51.33 C ATOM 0 H VAL A 88 2.328 -14.369 -27.211 1.00 61.45 H new ATOM 0 HA VAL A 88 3.840 -15.392 -25.042 1.00 75.52 H new ATOM 0 HB VAL A 88 4.408 -13.229 -27.108 1.00 12.13 H new ATOM 0 HG11 VAL A 88 6.774 -13.474 -26.480 1.00 4.41 H new ATOM 0 HG12 VAL A 88 5.790 -12.866 -25.127 1.00 4.41 H new ATOM 0 HG13 VAL A 88 6.306 -14.569 -25.158 1.00 4.41 H new ATOM 0 HG21 VAL A 88 5.779 -14.975 -28.171 1.00 51.33 H new ATOM 0 HG22 VAL A 88 5.270 -16.132 -26.918 1.00 51.33 H new ATOM 0 HG23 VAL A 88 4.071 -15.460 -28.048 1.00 51.33 H new ATOM 1353 N ALA A 89 2.805 -12.260 -24.878 1.00 13.40 N ATOM 1354 CA ALA A 89 2.613 -11.131 -23.976 1.00 55.54 C ATOM 1355 C ALA A 89 1.819 -11.543 -22.741 1.00 64.21 C ATOM 1356 O ALA A 89 2.176 -11.190 -21.617 1.00 12.23 O ATOM 1357 CB ALA A 89 1.911 -9.991 -24.700 1.00 51.20 C ATOM 0 H ALA A 89 2.394 -12.135 -25.803 1.00 13.40 H new ATOM 0 HA ALA A 89 3.595 -10.790 -23.647 1.00 55.54 H new ATOM 0 HB1 ALA A 89 1.774 -9.154 -24.015 1.00 51.20 H new ATOM 0 HB2 ALA A 89 2.517 -9.670 -25.547 1.00 51.20 H new ATOM 0 HB3 ALA A 89 0.939 -10.331 -25.057 1.00 51.20 H new ATOM 1363 N ILE A 90 0.743 -12.292 -22.958 1.00 1.34 N ATOM 1364 CA ILE A 90 -0.100 -12.752 -21.861 1.00 64.21 C ATOM 1365 C ILE A 90 0.645 -13.745 -20.975 1.00 30.00 C ATOM 1366 O ILE A 90 0.641 -13.623 -19.751 1.00 13.04 O ATOM 1367 CB ILE A 90 -1.390 -13.413 -22.382 1.00 24.22 C ATOM 1368 CG1 ILE A 90 -2.193 -12.420 -23.224 1.00 71.32 C ATOM 1369 CG2 ILE A 90 -2.226 -13.930 -21.221 1.00 10.44 C ATOM 1370 CD1 ILE A 90 -3.284 -13.070 -24.047 1.00 3.20 C ATOM 0 H ILE A 90 0.435 -12.593 -23.882 1.00 1.34 H new ATOM 0 HA ILE A 90 -0.364 -11.872 -21.274 1.00 64.21 H new ATOM 0 HB ILE A 90 -1.118 -14.259 -23.013 1.00 24.22 H new ATOM 0 HG12 ILE A 90 -2.640 -11.676 -22.565 1.00 71.32 H new ATOM 0 HG13 ILE A 90 -1.514 -11.889 -23.891 1.00 71.32 H new ATOM 0 HG21 ILE A 90 -3.134 -14.394 -21.605 1.00 10.44 H new ATOM 0 HG22 ILE A 90 -1.652 -14.666 -20.659 1.00 10.44 H new ATOM 0 HG23 ILE A 90 -2.492 -13.100 -20.566 1.00 10.44 H new ATOM 0 HD11 ILE A 90 -3.812 -12.307 -24.619 1.00 3.20 H new ATOM 0 HD12 ILE A 90 -2.841 -13.794 -24.731 1.00 3.20 H new ATOM 0 HD13 ILE A 90 -3.985 -13.578 -23.385 1.00 3.20 H new ATOM 1382 N GLU A 91 1.285 -14.727 -21.603 1.00 52.51 N ATOM 1383 CA GLU A 91 2.035 -15.740 -20.871 1.00 1.13 C ATOM 1384 C GLU A 91 3.110 -15.097 -19.999 1.00 41.12 C ATOM 1385 O GLU A 91 3.381 -15.556 -18.890 1.00 72.43 O ATOM 1386 CB GLU A 91 2.677 -16.733 -21.842 1.00 40.52 C ATOM 1387 CG GLU A 91 2.932 -18.101 -21.234 1.00 22.22 C ATOM 1388 CD GLU A 91 3.498 -19.089 -22.236 1.00 14.12 C ATOM 1389 OE1 GLU A 91 2.931 -19.200 -23.343 1.00 55.01 O ATOM 1390 OE2 GLU A 91 4.506 -19.751 -21.913 1.00 42.43 O ATOM 0 H GLU A 91 1.299 -14.842 -22.616 1.00 52.51 H new ATOM 0 HA GLU A 91 1.339 -16.274 -20.225 1.00 1.13 H new ATOM 0 HB2 GLU A 91 2.031 -16.846 -22.712 1.00 40.52 H new ATOM 0 HB3 GLU A 91 3.621 -16.321 -22.198 1.00 40.52 H new ATOM 0 HG2 GLU A 91 3.625 -18.000 -20.398 1.00 22.22 H new ATOM 0 HG3 GLU A 91 1.999 -18.494 -20.829 1.00 22.22 H new ATOM 1397 N GLU A 92 3.719 -14.032 -20.510 1.00 42.54 N ATOM 1398 CA GLU A 92 4.765 -13.327 -19.779 1.00 45.53 C ATOM 1399 C GLU A 92 4.179 -12.548 -18.605 1.00 72.02 C ATOM 1400 O GLU A 92 4.716 -12.575 -17.498 1.00 61.05 O ATOM 1401 CB GLU A 92 5.517 -12.375 -20.712 1.00 3.41 C ATOM 1402 CG GLU A 92 6.367 -13.086 -21.752 1.00 11.24 C ATOM 1403 CD GLU A 92 7.828 -13.168 -21.354 1.00 31.31 C ATOM 1404 OE1 GLU A 92 8.661 -12.522 -22.022 1.00 44.53 O ATOM 1405 OE2 GLU A 92 8.138 -13.879 -20.375 1.00 72.23 O ATOM 0 H GLU A 92 3.506 -13.639 -21.427 1.00 42.54 H new ATOM 0 HA GLU A 92 5.462 -14.068 -19.389 1.00 45.53 H new ATOM 0 HB2 GLU A 92 4.797 -11.734 -21.220 1.00 3.41 H new ATOM 0 HB3 GLU A 92 6.157 -11.725 -20.115 1.00 3.41 H new ATOM 0 HG2 GLU A 92 5.979 -14.093 -21.906 1.00 11.24 H new ATOM 0 HG3 GLU A 92 6.283 -12.563 -22.704 1.00 11.24 H new ATOM 1412 N ALA A 93 3.073 -11.855 -18.856 1.00 42.41 N ATOM 1413 CA ALA A 93 2.412 -11.070 -17.821 1.00 3.31 C ATOM 1414 C ALA A 93 2.025 -11.944 -16.633 1.00 12.52 C ATOM 1415 O ALA A 93 2.213 -11.557 -15.479 1.00 33.12 O ATOM 1416 CB ALA A 93 1.185 -10.374 -18.389 1.00 55.43 C ATOM 0 H ALA A 93 2.616 -11.821 -19.767 1.00 42.41 H new ATOM 0 HA ALA A 93 3.114 -10.314 -17.469 1.00 3.31 H new ATOM 0 HB1 ALA A 93 0.701 -9.792 -17.605 1.00 55.43 H new ATOM 0 HB2 ALA A 93 1.486 -9.711 -19.200 1.00 55.43 H new ATOM 0 HB3 ALA A 93 0.487 -11.120 -18.770 1.00 55.43 H new ATOM 1422 N ILE A 94 1.483 -13.122 -16.923 1.00 10.44 N ATOM 1423 CA ILE A 94 1.070 -14.050 -15.877 1.00 54.34 C ATOM 1424 C ILE A 94 2.276 -14.722 -15.231 1.00 71.41 C ATOM 1425 O ILE A 94 2.274 -15.003 -14.033 1.00 13.11 O ATOM 1426 CB ILE A 94 0.125 -15.134 -16.429 1.00 24.22 C ATOM 1427 CG1 ILE A 94 0.834 -15.959 -17.505 1.00 60.11 C ATOM 1428 CG2 ILE A 94 -1.140 -14.501 -16.987 1.00 12.31 C ATOM 1429 CD1 ILE A 94 -0.050 -17.009 -18.141 1.00 63.12 C ATOM 0 H ILE A 94 1.320 -13.456 -17.873 1.00 10.44 H new ATOM 0 HA ILE A 94 0.539 -13.465 -15.126 1.00 54.34 H new ATOM 0 HB ILE A 94 -0.156 -15.800 -15.613 1.00 24.22 H new ATOM 0 HG12 ILE A 94 1.204 -15.288 -18.281 1.00 60.11 H new ATOM 0 HG13 ILE A 94 1.703 -16.446 -17.064 1.00 60.11 H new ATOM 0 HG21 ILE A 94 -1.797 -15.280 -17.373 1.00 12.31 H new ATOM 0 HG22 ILE A 94 -1.652 -13.953 -16.196 1.00 12.31 H new ATOM 0 HG23 ILE A 94 -0.879 -13.815 -17.793 1.00 12.31 H new ATOM 0 HD11 ILE A 94 0.518 -17.555 -18.894 1.00 63.12 H new ATOM 0 HD12 ILE A 94 -0.399 -17.703 -17.376 1.00 63.12 H new ATOM 0 HD13 ILE A 94 -0.907 -16.527 -18.612 1.00 63.12 H new ATOM 1441 N GLN A 95 3.305 -14.977 -16.033 1.00 10.40 N ATOM 1442 CA GLN A 95 4.519 -15.615 -15.538 1.00 73.42 C ATOM 1443 C GLN A 95 5.241 -14.714 -14.542 1.00 62.04 C ATOM 1444 O GLN A 95 5.903 -15.194 -13.621 1.00 63.03 O ATOM 1445 CB GLN A 95 5.450 -15.959 -16.702 1.00 20.31 C ATOM 1446 CG GLN A 95 5.166 -17.315 -17.328 1.00 62.02 C ATOM 1447 CD GLN A 95 5.937 -18.438 -16.663 1.00 62.11 C ATOM 1448 OE1 GLN A 95 6.629 -18.226 -15.667 1.00 23.42 O ATOM 1449 NE2 GLN A 95 5.822 -19.642 -17.212 1.00 13.23 N ATOM 0 H GLN A 95 3.322 -14.752 -17.028 1.00 10.40 H new ATOM 0 HA GLN A 95 4.234 -16.534 -15.026 1.00 73.42 H new ATOM 0 HB2 GLN A 95 5.360 -15.189 -17.468 1.00 20.31 H new ATOM 0 HB3 GLN A 95 6.481 -15.940 -16.350 1.00 20.31 H new ATOM 0 HG2 GLN A 95 4.098 -17.524 -17.263 1.00 62.02 H new ATOM 0 HG3 GLN A 95 5.421 -17.282 -18.387 1.00 62.02 H new ATOM 0 HE21 GLN A 95 5.237 -19.772 -18.038 1.00 13.23 H new ATOM 0 HE22 GLN A 95 6.318 -20.436 -16.808 1.00 13.23 H new ATOM 1458 N LEU A 96 5.110 -13.406 -14.733 1.00 43.12 N ATOM 1459 CA LEU A 96 5.751 -12.436 -13.852 1.00 21.24 C ATOM 1460 C LEU A 96 4.876 -12.142 -12.638 1.00 15.21 C ATOM 1461 O LEU A 96 5.364 -12.073 -11.510 1.00 34.04 O ATOM 1462 CB LEU A 96 6.042 -11.141 -14.611 1.00 53.24 C ATOM 1463 CG LEU A 96 6.996 -11.260 -15.800 1.00 42.51 C ATOM 1464 CD1 LEU A 96 6.701 -10.181 -16.831 1.00 62.43 C ATOM 1465 CD2 LEU A 96 8.442 -11.173 -15.334 1.00 2.32 C ATOM 0 H LEU A 96 4.566 -12.993 -15.490 1.00 43.12 H new ATOM 0 HA LEU A 96 6.691 -12.864 -13.504 1.00 21.24 H new ATOM 0 HB2 LEU A 96 5.097 -10.733 -14.969 1.00 53.24 H new ATOM 0 HB3 LEU A 96 6.457 -10.417 -13.909 1.00 53.24 H new ATOM 0 HG LEU A 96 6.843 -12.233 -16.268 1.00 42.51 H new ATOM 0 HD11 LEU A 96 7.390 -10.281 -17.670 1.00 62.43 H new ATOM 0 HD12 LEU A 96 5.677 -10.289 -17.188 1.00 62.43 H new ATOM 0 HD13 LEU A 96 6.825 -9.199 -16.375 1.00 62.43 H new ATOM 0 HD21 LEU A 96 9.107 -11.260 -16.193 1.00 2.32 H new ATOM 0 HD22 LEU A 96 8.608 -10.215 -14.841 1.00 2.32 H new ATOM 0 HD23 LEU A 96 8.648 -11.982 -14.633 1.00 2.32 H new ATOM 1477 N TYR A 97 3.580 -11.971 -12.877 1.00 42.10 N ATOM 1478 CA TYR A 97 2.636 -11.684 -11.804 1.00 1.14 C ATOM 1479 C TYR A 97 2.634 -12.803 -10.766 1.00 53.25 C ATOM 1480 O TYR A 97 2.625 -12.547 -9.563 1.00 30.42 O ATOM 1481 CB TYR A 97 1.228 -11.496 -12.371 1.00 20.30 C ATOM 1482 CG TYR A 97 0.185 -11.203 -11.317 1.00 35.22 C ATOM 1483 CD1 TYR A 97 -0.845 -12.101 -11.062 1.00 24.34 C ATOM 1484 CD2 TYR A 97 0.227 -10.028 -10.577 1.00 31.23 C ATOM 1485 CE1 TYR A 97 -1.801 -11.838 -10.100 1.00 2.40 C ATOM 1486 CE2 TYR A 97 -0.724 -9.757 -9.612 1.00 50.11 C ATOM 1487 CZ TYR A 97 -1.736 -10.664 -9.378 1.00 21.44 C ATOM 1488 OH TYR A 97 -2.686 -10.397 -8.419 1.00 21.14 O ATOM 0 H TYR A 97 3.160 -12.026 -13.805 1.00 42.10 H new ATOM 0 HA TYR A 97 2.950 -10.761 -11.316 1.00 1.14 H new ATOM 0 HB2 TYR A 97 1.242 -10.679 -13.093 1.00 20.30 H new ATOM 0 HB3 TYR A 97 0.941 -12.396 -12.914 1.00 20.30 H new ATOM 0 HD1 TYR A 97 -0.899 -13.021 -11.626 1.00 24.34 H new ATOM 0 HD2 TYR A 97 1.017 -9.314 -10.759 1.00 31.23 H new ATOM 0 HE1 TYR A 97 -2.594 -12.547 -9.914 1.00 2.40 H new ATOM 0 HE2 TYR A 97 -0.675 -8.840 -9.044 1.00 50.11 H new ATOM 0 HH TYR A 97 -2.495 -9.531 -8.002 1.00 21.14 H new ATOM 1498 N GLU A 98 2.642 -14.043 -11.244 1.00 22.41 N ATOM 1499 CA GLU A 98 2.641 -15.202 -10.359 1.00 31.05 C ATOM 1500 C GLU A 98 4.021 -15.419 -9.745 1.00 30.33 C ATOM 1501 O GLU A 98 4.160 -16.109 -8.735 1.00 44.13 O ATOM 1502 CB GLU A 98 2.207 -16.455 -11.122 1.00 43.03 C ATOM 1503 CG GLU A 98 1.532 -17.498 -10.248 1.00 14.43 C ATOM 1504 CD GLU A 98 1.567 -18.884 -10.860 1.00 24.52 C ATOM 1505 OE1 GLU A 98 0.482 -19.458 -11.093 1.00 4.42 O ATOM 1506 OE2 GLU A 98 2.679 -19.397 -11.106 1.00 3.34 O ATOM 0 H GLU A 98 2.649 -14.271 -12.238 1.00 22.41 H new ATOM 0 HA GLU A 98 1.930 -15.012 -9.555 1.00 31.05 H new ATOM 0 HB2 GLU A 98 1.524 -16.165 -11.920 1.00 43.03 H new ATOM 0 HB3 GLU A 98 3.081 -16.902 -11.597 1.00 43.03 H new ATOM 0 HG2 GLU A 98 2.022 -17.523 -9.274 1.00 14.43 H new ATOM 0 HG3 GLU A 98 0.496 -17.207 -10.076 1.00 14.43 H new ATOM 1513 N GLU A 99 5.037 -14.826 -10.363 1.00 3.21 N ATOM 1514 CA GLU A 99 6.406 -14.956 -9.878 1.00 44.21 C ATOM 1515 C GLU A 99 6.695 -13.932 -8.784 1.00 24.54 C ATOM 1516 O GLU A 99 7.525 -14.166 -7.906 1.00 25.24 O ATOM 1517 CB GLU A 99 7.398 -14.780 -11.030 1.00 72.23 C ATOM 1518 CG GLU A 99 8.852 -14.791 -10.589 1.00 73.12 C ATOM 1519 CD GLU A 99 9.785 -15.301 -11.670 1.00 4.40 C ATOM 1520 OE1 GLU A 99 10.767 -14.595 -11.986 1.00 75.43 O ATOM 1521 OE2 GLU A 99 9.535 -16.403 -12.199 1.00 64.44 O ATOM 0 H GLU A 99 4.938 -14.251 -11.200 1.00 3.21 H new ATOM 0 HA GLU A 99 6.522 -15.955 -9.457 1.00 44.21 H new ATOM 0 HB2 GLU A 99 7.242 -15.577 -11.757 1.00 72.23 H new ATOM 0 HB3 GLU A 99 7.188 -13.839 -11.538 1.00 72.23 H new ATOM 0 HG2 GLU A 99 9.149 -13.782 -10.304 1.00 73.12 H new ATOM 0 HG3 GLU A 99 8.954 -15.416 -9.702 1.00 73.12 H new