USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 170:sc= -0.123 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00966 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 150:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.0139 (180deg=-0.532) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.45 (180deg=2.41) USER MOD Single : A 2 GLN : amide:sc=-0.00988 X(o=-0.0099,f=-0.015) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.13) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.8 (180deg=0.969) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0.597 (180deg=0.447) USER MOD Single : A 31 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.022) USER MOD Single : A 41 GLN : amide:sc= 0.083 K(o=0.083,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= -0.0101 (180deg=-0.0391) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.701 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0642) USER MOD Single : A 65 SER OG : rot 82:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.686 -7.137 -4.671 1.00 9.67 N ATOM 2 CA MET A 1 11.730 -7.404 -3.199 1.00 10.38 C ATOM 3 C MET A 1 10.359 -7.810 -2.773 1.00 9.62 C ATOM 4 O MET A 1 9.323 -7.656 -3.426 1.00 9.62 O ATOM 5 CB MET A 1 12.250 -6.189 -2.390 1.00 13.77 C ATOM 6 CG MET A 1 11.264 -5.027 -2.179 1.00 16.29 C ATOM 7 SD MET A 1 12.029 -3.665 -1.214 1.00 17.17 S ATOM 8 CE MET A 1 10.520 -2.725 -0.999 1.00 16.11 C ATOM 0 H1 MET A 1 12.649 -7.185 -5.061 1.00 9.67 H new ATOM 0 H2 MET A 1 11.088 -7.850 -5.135 1.00 9.67 H new ATOM 0 H3 MET A 1 11.291 -6.190 -4.840 1.00 9.67 H new ATOM 0 HA MET A 1 12.441 -8.205 -2.995 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.572 -6.544 -1.411 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.134 -5.798 -2.894 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.933 -4.648 -3.146 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.378 -5.390 -1.659 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.760 -1.665 -0.914 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.868 -2.882 -1.859 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.012 -3.055 -0.093 1.00 16.11 H new ATOM 20 N GLN A 2 10.295 -8.471 -1.582 1.00 9.27 N ATOM 21 CA GLN A 2 9.000 -8.934 -1.008 1.00 9.07 C ATOM 22 C GLN A 2 8.584 -7.951 0.057 1.00 8.72 C ATOM 23 O GLN A 2 9.412 -7.497 0.813 1.00 8.22 O ATOM 24 CB GLN A 2 9.246 -10.286 -0.345 1.00 14.46 C ATOM 25 CG GLN A 2 8.064 -10.958 0.384 1.00 17.01 C ATOM 26 CD GLN A 2 8.267 -12.475 0.500 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.623 -12.996 1.553 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.160 -13.194 -0.645 1.00 19.49 N ATOM 0 H GLN A 2 11.110 -8.692 -1.010 1.00 9.27 H new ATOM 0 HA GLN A 2 8.232 -9.012 -1.777 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.601 -10.975 -1.112 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.056 -10.164 0.374 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.956 -10.527 1.379 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.139 -10.753 -0.154 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.862 -12.738 -1.507 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.377 -14.191 -0.644 1.00 19.49 H new ATOM 37 N ILE A 3 7.291 -7.614 0.164 1.00 5.87 N ATOM 38 CA ILE A 3 6.684 -6.746 1.199 1.00 5.07 C ATOM 39 C ILE A 3 5.429 -7.516 1.578 1.00 4.01 C ATOM 40 O ILE A 3 4.880 -8.334 0.785 1.00 4.61 O ATOM 41 CB ILE A 3 6.339 -5.294 0.765 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.455 -5.212 -0.501 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.682 -4.576 0.525 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.845 -3.776 -0.681 1.00 10.83 C ATOM 0 H ILE A 3 6.598 -7.955 -0.502 1.00 5.87 H new ATOM 0 HA ILE A 3 7.392 -6.570 2.009 1.00 5.07 H new ATOM 0 HB ILE A 3 5.749 -4.824 1.552 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.048 -5.470 -1.378 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.651 -5.945 -0.433 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.495 -3.547 0.217 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.265 -4.578 1.446 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.237 -5.094 -0.257 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.229 -3.752 -1.580 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.232 -3.530 0.186 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.650 -3.048 -0.774 1.00 10.83 H new ATOM 56 N PHE A 4 4.929 -7.256 2.807 1.00 4.55 N ATOM 57 CA PHE A 4 3.628 -7.789 3.236 1.00 4.68 C ATOM 58 C PHE A 4 2.584 -6.698 3.489 1.00 5.30 C ATOM 59 O PHE A 4 2.894 -5.589 3.900 1.00 5.58 O ATOM 60 CB PHE A 4 3.705 -8.561 4.524 1.00 4.83 C ATOM 61 CG PHE A 4 4.811 -9.649 4.400 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.743 -10.699 3.410 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.873 -9.660 5.318 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.789 -11.611 3.269 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.898 -10.594 5.157 1.00 10.61 C ATOM 66 CZ PHE A 4 6.904 -11.553 4.143 1.00 8.90 C ATOM 0 H PHE A 4 5.404 -6.687 3.508 1.00 4.55 H new ATOM 0 HA PHE A 4 3.338 -8.430 2.403 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.930 -7.889 5.352 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.743 -9.025 4.742 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.874 -10.779 2.773 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.897 -8.956 6.137 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.750 -12.362 2.494 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.726 -10.573 5.850 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.735 -12.233 4.027 1.00 8.90 H new ATOM 76 N VAL A 5 1.291 -6.880 3.085 1.00 4.44 N ATOM 77 CA VAL A 5 0.230 -5.882 3.268 1.00 3.87 C ATOM 78 C VAL A 5 -0.878 -6.518 4.112 1.00 4.93 C ATOM 79 O VAL A 5 -1.334 -7.617 3.776 1.00 6.84 O ATOM 80 CB VAL A 5 -0.388 -5.316 2.001 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.449 -4.258 2.384 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.684 -4.756 1.063 1.00 9.13 C ATOM 0 H VAL A 5 0.971 -7.731 2.623 1.00 4.44 H new ATOM 0 HA VAL A 5 0.711 -5.030 3.749 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.884 -6.114 1.449 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.897 -3.847 1.479 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.224 -4.724 2.993 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.975 -3.456 2.950 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.210 -4.358 0.165 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.230 -3.959 1.569 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.376 -5.551 0.786 1.00 9.13 H new ATOM 92 N LYS A 6 -1.153 -5.913 5.289 1.00 6.04 N ATOM 93 CA LYS A 6 -2.210 -6.455 6.075 1.00 6.12 C ATOM 94 C LYS A 6 -3.532 -5.686 5.889 1.00 6.57 C ATOM 95 O LYS A 6 -3.595 -4.436 6.010 1.00 5.76 O ATOM 96 CB LYS A 6 -1.847 -6.359 7.515 1.00 7.45 C ATOM 97 CG LYS A 6 -0.592 -7.179 7.915 1.00 11.12 C ATOM 98 CD LYS A 6 -0.977 -8.592 8.307 1.00 14.54 C ATOM 99 CE LYS A 6 0.199 -9.399 8.949 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.114 -10.767 9.080 1.00 20.55 N ATOM 0 H LYS A 6 -0.673 -5.099 5.673 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.350 -7.487 5.753 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.677 -5.312 7.765 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.693 -6.697 8.114 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.111 -7.206 7.083 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.083 -6.692 8.747 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.808 -8.552 9.011 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.333 -9.122 7.424 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.093 -9.288 8.336 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.432 -8.984 9.930 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.690 -11.268 9.509 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.952 -10.875 9.686 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.311 -11.169 8.142 1.00 20.55 H new ATOM 114 N THR A 7 -4.607 -6.443 5.586 1.00 7.41 N ATOM 115 CA THR A 7 -5.968 -5.967 5.450 1.00 7.48 C ATOM 116 C THR A 7 -6.808 -5.885 6.729 1.00 8.75 C ATOM 117 O THR A 7 -6.369 -6.310 7.820 1.00 8.58 O ATOM 118 CB THR A 7 -6.748 -6.750 4.365 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.272 -7.992 4.855 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.826 -7.152 3.175 1.00 9.17 C ATOM 0 H THR A 7 -4.529 -7.447 5.425 1.00 7.41 H new ATOM 0 HA THR A 7 -5.819 -4.930 5.147 1.00 7.48 H new ATOM 0 HB THR A 7 -7.547 -6.074 4.060 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.886 -8.372 4.193 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.407 -7.700 2.433 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.409 -6.254 2.719 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.016 -7.784 3.540 1.00 9.17 H new ATOM 128 N LEU A 8 -8.045 -5.312 6.702 1.00 9.84 N ATOM 129 CA LEU A 8 -8.883 -5.050 7.868 1.00 14.15 C ATOM 130 C LEU A 8 -9.579 -6.282 8.427 1.00 17.37 C ATOM 131 O LEU A 8 -9.963 -6.295 9.611 1.00 17.01 O ATOM 132 CB LEU A 8 -10.015 -4.072 7.446 1.00 16.63 C ATOM 133 CG LEU A 8 -9.521 -2.696 7.125 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.734 -1.808 6.862 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.670 -2.053 8.256 1.00 18.59 C ATOM 0 H LEU A 8 -8.484 -5.017 5.830 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.216 -4.657 8.635 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.530 -4.478 6.575 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.749 -4.009 8.249 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.869 -2.782 6.256 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.401 -0.798 6.625 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.303 -2.208 6.023 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.366 -1.783 7.750 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.349 -1.058 7.949 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.269 -1.977 9.164 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.795 -2.673 8.450 1.00 18.59 H new ATOM 147 N THR A 9 -9.700 -7.370 7.618 1.00 18.33 N ATOM 148 CA THR A 9 -10.126 -8.676 8.037 1.00 19.24 C ATOM 149 C THR A 9 -8.948 -9.491 8.602 1.00 19.48 C ATOM 150 O THR A 9 -9.147 -10.515 9.186 1.00 23.14 O ATOM 151 CB THR A 9 -10.795 -9.439 6.901 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.046 -9.383 5.650 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.190 -8.926 6.605 1.00 19.70 C ATOM 0 H THR A 9 -9.488 -7.328 6.621 1.00 18.33 H new ATOM 0 HA THR A 9 -10.861 -8.533 8.829 1.00 19.24 H new ATOM 0 HB THR A 9 -10.833 -10.467 7.261 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.523 -9.891 4.960 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.624 -9.502 5.788 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.812 -9.031 7.494 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.138 -7.875 6.320 1.00 19.70 H new ATOM 161 N GLY A 10 -7.765 -8.949 8.419 1.00 19.43 N ATOM 162 CA GLY A 10 -6.511 -9.455 8.822 1.00 18.74 C ATOM 163 C GLY A 10 -5.880 -10.424 7.879 1.00 17.62 C ATOM 164 O GLY A 10 -5.023 -11.220 8.279 1.00 19.74 O ATOM 0 H GLY A 10 -7.669 -8.056 7.935 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.829 -8.617 8.966 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.628 -9.940 9.791 1.00 18.74 H new ATOM 168 N LYS A 11 -6.298 -10.439 6.587 1.00 13.56 N ATOM 169 CA LYS A 11 -5.578 -11.141 5.538 1.00 11.91 C ATOM 170 C LYS A 11 -4.174 -10.605 5.359 1.00 10.18 C ATOM 171 O LYS A 11 -3.916 -9.437 5.575 1.00 9.10 O ATOM 172 CB LYS A 11 -6.362 -11.124 4.199 1.00 13.43 C ATOM 173 CG LYS A 11 -5.725 -11.946 3.041 1.00 16.69 C ATOM 174 CD LYS A 11 -6.540 -11.965 1.772 1.00 17.92 C ATOM 175 CE LYS A 11 -6.062 -12.856 0.597 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.083 -12.888 -0.482 1.00 21.93 N ATOM 0 H LYS A 11 -7.140 -9.963 6.263 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.489 -12.180 5.856 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.367 -11.504 4.381 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.467 -10.089 3.872 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.739 -11.536 2.820 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.576 -12.972 3.378 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.552 -12.276 2.033 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.606 -10.941 1.405 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.120 -12.474 0.203 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.871 -13.868 0.955 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.667 -13.299 -1.342 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.891 -13.467 -0.178 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.407 -11.920 -0.682 1.00 21.93 H new ATOM 190 N THR A 12 -3.232 -11.442 4.947 1.00 9.63 N ATOM 191 CA THR A 12 -1.903 -11.027 4.549 1.00 9.85 C ATOM 192 C THR A 12 -1.750 -11.155 3.077 1.00 11.66 C ATOM 193 O THR A 12 -1.872 -12.277 2.582 1.00 12.33 O ATOM 194 CB THR A 12 -0.741 -11.796 5.229 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.930 -11.841 6.602 1.00 10.91 O ATOM 196 CG2 THR A 12 0.508 -11.077 4.980 1.00 9.63 C ATOM 0 H THR A 12 -3.378 -12.449 4.880 1.00 9.63 H new ATOM 0 HA THR A 12 -1.825 -9.991 4.880 1.00 9.85 H new ATOM 0 HB THR A 12 -0.707 -12.808 4.825 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.531 -12.661 6.960 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.334 -11.608 5.453 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.684 -11.015 3.906 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.438 -10.071 5.395 1.00 9.63 H new ATOM 204 N ILE A 13 -1.520 -10.033 2.350 1.00 10.42 N ATOM 205 CA ILE A 13 -1.302 -10.042 0.880 1.00 11.84 C ATOM 206 C ILE A 13 0.192 -9.984 0.742 1.00 10.55 C ATOM 207 O ILE A 13 0.825 -9.117 1.325 1.00 11.92 O ATOM 208 CB ILE A 13 -1.906 -8.861 0.178 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.313 -8.561 0.683 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.780 -8.984 -1.332 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.737 -7.153 0.270 1.00 16.46 C ATOM 0 H ILE A 13 -1.480 -9.101 2.763 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.771 -10.916 0.428 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.328 -7.974 0.435 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.014 -9.292 0.280 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.344 -8.654 1.769 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.228 -8.111 -1.807 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.727 -9.045 -1.605 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.295 -9.884 -1.668 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.744 -6.954 0.638 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.045 -6.426 0.694 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.726 -7.074 -0.817 1.00 16.46 H new ATOM 223 N THR A 14 0.780 -10.900 -0.044 1.00 9.39 N ATOM 224 CA THR A 14 2.180 -11.078 -0.272 1.00 9.63 C ATOM 225 C THR A 14 2.430 -10.449 -1.681 1.00 11.20 C ATOM 226 O THR A 14 1.881 -10.973 -2.691 1.00 11.63 O ATOM 227 CB THR A 14 2.755 -12.470 -0.133 1.00 10.38 C ATOM 228 OG1 THR A 14 2.362 -13.120 1.086 1.00 16.30 O ATOM 229 CG2 THR A 14 4.258 -12.274 -0.053 1.00 11.66 C ATOM 0 H THR A 14 0.224 -11.577 -0.567 1.00 9.39 H new ATOM 0 HA THR A 14 2.726 -10.589 0.535 1.00 9.63 H new ATOM 0 HB THR A 14 2.409 -13.083 -0.965 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.760 -14.015 1.122 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.746 -13.243 0.049 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.610 -11.784 -0.961 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.499 -11.654 0.810 1.00 11.66 H new ATOM 237 N LEU A 15 3.251 -9.415 -1.822 1.00 8.29 N ATOM 238 CA LEU A 15 3.521 -8.673 -3.077 1.00 9.03 C ATOM 239 C LEU A 15 4.969 -8.757 -3.319 1.00 8.59 C ATOM 240 O LEU A 15 5.782 -8.556 -2.406 1.00 7.79 O ATOM 241 CB LEU A 15 3.008 -7.202 -3.024 1.00 11.08 C ATOM 242 CG LEU A 15 1.526 -6.934 -2.710 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.294 -5.396 -2.815 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.689 -7.720 -3.729 1.00 15.27 C ATOM 0 H LEU A 15 3.779 -9.042 -1.033 1.00 8.29 H new ATOM 0 HA LEU A 15 2.973 -9.120 -3.906 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.602 -6.674 -2.278 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.227 -6.743 -3.988 1.00 11.08 H new ATOM 0 HG LEU A 15 1.238 -7.255 -1.709 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.250 -5.170 -2.598 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.934 -4.882 -2.098 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.536 -5.060 -3.823 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.371 -7.553 -3.536 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.932 -7.383 -4.737 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.911 -8.783 -3.639 1.00 15.27 H new ATOM 256 N GLU A 16 5.314 -9.012 -4.598 1.00 11.04 N ATOM 257 CA GLU A 16 6.680 -8.777 -5.080 1.00 11.50 C ATOM 258 C GLU A 16 6.740 -7.377 -5.674 1.00 10.13 C ATOM 259 O GLU A 16 6.005 -7.078 -6.592 1.00 9.83 O ATOM 260 CB GLU A 16 7.048 -9.912 -6.081 1.00 17.22 C ATOM 261 CG GLU A 16 8.352 -9.790 -6.877 1.00 23.33 C ATOM 262 CD GLU A 16 9.543 -9.909 -5.981 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.597 -10.916 -5.224 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.530 -9.122 -6.115 1.00 28.90 O ATOM 0 H GLU A 16 4.672 -9.375 -5.302 1.00 11.04 H new ATOM 0 HA GLU A 16 7.422 -8.812 -4.282 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.087 -10.847 -5.522 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.230 -10.002 -6.796 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.389 -10.566 -7.641 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.377 -8.831 -7.395 1.00 23.33 H new ATOM 271 N VAL A 17 7.532 -6.411 -5.180 1.00 8.99 N ATOM 272 CA VAL A 17 7.514 -5.044 -5.705 1.00 8.85 C ATOM 273 C VAL A 17 9.010 -4.661 -5.803 1.00 8.04 C ATOM 274 O VAL A 17 9.856 -5.230 -5.169 1.00 8.99 O ATOM 275 CB VAL A 17 6.721 -4.068 -4.830 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.294 -4.562 -4.656 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.305 -3.951 -3.397 1.00 10.54 C ATOM 0 H VAL A 17 8.192 -6.556 -4.416 1.00 8.99 H new ATOM 0 HA VAL A 17 7.002 -4.990 -6.666 1.00 8.85 H new ATOM 0 HB VAL A 17 6.770 -3.104 -5.337 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.740 -3.861 -4.032 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.814 -4.638 -5.632 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.304 -5.542 -4.179 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.708 -3.248 -2.817 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.284 -4.928 -2.915 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.334 -3.595 -3.451 1.00 10.54 H new ATOM 287 N GLU A 18 9.330 -3.641 -6.665 1.00 7.29 N ATOM 288 CA GLU A 18 10.597 -2.902 -6.617 1.00 7.08 C ATOM 289 C GLU A 18 10.444 -1.796 -5.600 1.00 6.45 C ATOM 290 O GLU A 18 9.313 -1.323 -5.429 1.00 5.28 O ATOM 291 CB GLU A 18 11.047 -2.298 -7.945 1.00 10.28 C ATOM 292 CG GLU A 18 11.079 -3.330 -9.070 1.00 12.65 C ATOM 293 CD GLU A 18 11.731 -2.806 -10.304 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.289 -1.797 -10.921 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.778 -3.390 -10.678 1.00 18.17 O ATOM 0 H GLU A 18 8.703 -3.324 -7.405 1.00 7.29 H new ATOM 0 HA GLU A 18 11.371 -3.623 -6.352 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.373 -1.486 -8.219 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.039 -1.863 -7.826 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.612 -4.218 -8.730 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.061 -3.640 -9.304 1.00 12.65 H new ATOM 302 N PRO A 19 11.390 -1.313 -4.888 1.00 7.24 N ATOM 303 CA PRO A 19 11.283 -0.188 -3.972 1.00 7.07 C ATOM 304 C PRO A 19 11.192 1.119 -4.795 1.00 6.65 C ATOM 305 O PRO A 19 11.005 2.227 -4.235 1.00 6.37 O ATOM 306 CB PRO A 19 12.567 -0.230 -3.165 1.00 7.61 C ATOM 307 CG PRO A 19 13.609 -0.918 -4.126 1.00 8.16 C ATOM 308 CD PRO A 19 12.753 -1.816 -4.938 1.00 7.49 C ATOM 0 HA PRO A 19 10.404 -0.233 -3.329 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.890 0.771 -2.879 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.439 -0.799 -2.244 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.134 -0.189 -4.744 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.368 -1.472 -3.573 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.108 -1.850 -5.968 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.797 -2.834 -4.552 1.00 7.49 H new ATOM 316 N SER A 20 11.305 0.977 -6.159 1.00 6.80 N ATOM 317 CA SER A 20 11.268 2.138 -7.048 1.00 6.28 C ATOM 318 C SER A 20 9.888 2.147 -7.673 1.00 8.45 C ATOM 319 O SER A 20 9.601 2.933 -8.572 1.00 7.26 O ATOM 320 CB SER A 20 12.282 2.006 -8.245 1.00 8.57 C ATOM 321 OG SER A 20 12.470 0.673 -8.709 1.00 11.13 O ATOM 0 H SER A 20 11.419 0.082 -6.634 1.00 6.80 H new ATOM 0 HA SER A 20 11.515 3.029 -6.470 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.930 2.620 -9.074 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.246 2.410 -7.936 1.00 8.57 H new ATOM 0 HG SER A 20 13.110 0.672 -9.451 1.00 11.13 H new ATOM 327 N ASP A 21 8.910 1.367 -7.172 1.00 7.50 N ATOM 328 CA ASP A 21 7.472 1.389 -7.492 1.00 7.70 C ATOM 329 C ASP A 21 6.880 2.523 -6.668 1.00 7.08 C ATOM 330 O ASP A 21 7.315 2.813 -5.511 1.00 8.11 O ATOM 331 CB ASP A 21 6.843 -0.028 -7.195 1.00 11.00 C ATOM 332 CG ASP A 21 7.185 -1.046 -8.214 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.527 -0.723 -9.423 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.033 -2.265 -7.875 1.00 18.03 O ATOM 0 H ASP A 21 9.123 0.650 -6.479 1.00 7.50 H new ATOM 0 HA ASP A 21 7.262 1.575 -8.545 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.185 -0.372 -6.219 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.759 0.068 -7.137 1.00 11.00 H new ATOM 339 N THR A 22 5.991 3.315 -7.266 1.00 5.37 N ATOM 340 CA THR A 22 5.260 4.350 -6.562 1.00 6.01 C ATOM 341 C THR A 22 4.141 3.792 -5.736 1.00 8.01 C ATOM 342 O THR A 22 3.562 2.778 -6.010 1.00 8.11 O ATOM 343 CB THR A 22 4.705 5.515 -7.412 1.00 8.92 C ATOM 344 OG1 THR A 22 3.880 4.991 -8.475 1.00 10.22 O ATOM 345 CG2 THR A 22 5.934 6.252 -8.027 1.00 9.65 C ATOM 0 H THR A 22 5.762 3.251 -8.258 1.00 5.37 H new ATOM 0 HA THR A 22 6.040 4.781 -5.934 1.00 6.01 H new ATOM 0 HB THR A 22 4.102 6.190 -6.804 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.528 5.732 -9.011 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.590 7.086 -8.638 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.571 6.628 -7.226 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.502 5.558 -8.647 1.00 9.65 H new ATOM 353 N ILE A 23 3.744 4.504 -4.614 1.00 8.32 N ATOM 354 CA ILE A 23 2.579 4.039 -3.843 1.00 9.92 C ATOM 355 C ILE A 23 1.266 3.845 -4.702 1.00 10.01 C ATOM 356 O ILE A 23 0.585 2.893 -4.465 1.00 8.71 O ATOM 357 CB ILE A 23 2.269 5.100 -2.794 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.534 5.506 -2.043 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.190 4.629 -1.760 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.308 4.400 -1.269 1.00 12.30 C ATOM 0 H ILE A 23 4.198 5.347 -4.261 1.00 8.32 H new ATOM 0 HA ILE A 23 2.844 3.066 -3.429 1.00 9.92 H new ATOM 0 HB ILE A 23 1.867 5.955 -3.337 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.220 5.954 -2.762 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.264 6.286 -1.331 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.008 5.424 -1.036 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.263 4.395 -2.283 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.548 3.740 -1.240 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.182 4.837 -0.787 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.657 3.962 -0.512 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.628 3.625 -1.965 1.00 12.30 H new ATOM 372 N GLU A 24 0.990 4.693 -5.723 1.00 9.54 N ATOM 373 CA GLU A 24 -0.053 4.556 -6.737 1.00 11.81 C ATOM 374 C GLU A 24 -0.061 3.234 -7.466 1.00 11.14 C ATOM 375 O GLU A 24 -1.053 2.604 -7.777 1.00 10.62 O ATOM 376 CB GLU A 24 0.042 5.700 -7.834 1.00 19.24 C ATOM 377 CG GLU A 24 -0.954 5.767 -9.039 1.00 27.76 C ATOM 378 CD GLU A 24 -0.605 6.845 -10.045 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.411 6.644 -10.738 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.447 7.759 -10.251 1.00 34.80 O ATOM 0 H GLU A 24 1.535 5.545 -5.858 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.975 4.630 -6.161 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.036 6.651 -7.307 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.046 5.651 -8.256 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.969 4.801 -9.543 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.960 5.945 -8.660 1.00 27.76 H new ATOM 387 N ASN A 25 1.128 2.743 -7.749 1.00 9.43 N ATOM 388 CA ASN A 25 1.350 1.366 -8.289 1.00 10.96 C ATOM 389 C ASN A 25 0.971 0.238 -7.358 1.00 9.68 C ATOM 390 O ASN A 25 0.289 -0.703 -7.695 1.00 9.33 O ATOM 391 CB ASN A 25 2.819 1.186 -8.845 1.00 16.78 C ATOM 392 CG ASN A 25 2.896 -0.159 -9.524 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.780 -0.974 -9.149 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.097 -0.339 -10.583 1.00 24.70 N ATOM 0 H ASN A 25 1.991 3.272 -7.619 1.00 9.43 H new ATOM 0 HA ASN A 25 0.647 1.286 -9.118 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.061 1.983 -9.548 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.544 1.246 -8.033 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.182 -1.184 -11.148 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.403 0.368 -10.824 1.00 24.70 H new ATOM 401 N VAL A 26 1.518 0.328 -6.093 1.00 6.52 N ATOM 402 CA VAL A 26 1.144 -0.671 -5.033 1.00 5.53 C ATOM 403 C VAL A 26 -0.344 -0.844 -4.902 1.00 4.42 C ATOM 404 O VAL A 26 -0.827 -1.952 -4.729 1.00 3.40 O ATOM 405 CB VAL A 26 1.742 -0.462 -3.601 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.309 -1.500 -2.594 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.313 -0.428 -3.845 1.00 8.12 C ATOM 0 H VAL A 26 2.183 1.043 -5.798 1.00 6.52 H new ATOM 0 HA VAL A 26 1.617 -1.571 -5.424 1.00 5.53 H new ATOM 0 HB VAL A 26 1.376 0.456 -3.141 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.767 -1.284 -1.629 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.224 -1.479 -2.494 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.624 -2.488 -2.931 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.826 -0.284 -2.894 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.632 -1.370 -4.291 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.559 0.394 -4.518 1.00 8.12 H new ATOM 417 N LYS A 27 -1.133 0.186 -5.014 1.00 2.64 N ATOM 418 CA LYS A 27 -2.591 0.219 -4.876 1.00 4.14 C ATOM 419 C LYS A 27 -3.267 -0.404 -6.114 1.00 5.58 C ATOM 420 O LYS A 27 -4.234 -1.213 -6.017 1.00 4.11 O ATOM 421 CB LYS A 27 -3.172 1.614 -4.763 1.00 3.97 C ATOM 422 CG LYS A 27 -2.622 2.375 -3.556 1.00 7.45 C ATOM 423 CD LYS A 27 -3.202 3.777 -3.537 1.00 9.02 C ATOM 424 CE LYS A 27 -3.035 4.351 -2.088 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.645 5.696 -1.961 1.00 15.47 N ATOM 0 H LYS A 27 -0.757 1.111 -5.222 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.785 -0.333 -3.957 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.951 2.172 -5.673 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.257 1.548 -4.685 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.878 1.851 -2.635 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.534 2.420 -3.606 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.689 4.411 -4.260 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.254 3.758 -3.820 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.497 3.672 -1.371 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.976 4.406 -1.838 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.137 6.240 -1.234 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.583 6.193 -2.872 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.644 5.600 -1.687 1.00 15.47 H new ATOM 439 N ALA A 28 -2.770 -0.140 -7.328 1.00 6.61 N ATOM 440 CA ALA A 28 -3.195 -0.775 -8.575 1.00 7.74 C ATOM 441 C ALA A 28 -2.882 -2.270 -8.484 1.00 9.17 C ATOM 442 O ALA A 28 -3.664 -3.104 -8.908 1.00 11.45 O ATOM 443 CB ALA A 28 -2.571 -0.122 -9.789 1.00 7.68 C ATOM 0 H ALA A 28 -2.032 0.549 -7.471 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.269 -0.643 -8.705 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.916 -0.627 -10.691 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.862 0.928 -9.827 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.485 -0.196 -9.724 1.00 7.68 H new ATOM 449 N LYS A 29 -1.705 -2.633 -7.968 1.00 8.96 N ATOM 450 CA LYS A 29 -1.418 -4.013 -7.603 1.00 7.90 C ATOM 451 C LYS A 29 -2.334 -4.662 -6.529 1.00 6.92 C ATOM 452 O LYS A 29 -2.848 -5.749 -6.736 1.00 6.87 O ATOM 453 CB LYS A 29 0.066 -4.052 -7.125 1.00 10.28 C ATOM 454 CG LYS A 29 0.530 -5.505 -6.915 1.00 14.94 C ATOM 455 CD LYS A 29 2.103 -5.630 -7.016 1.00 19.69 C ATOM 456 CE LYS A 29 2.629 -5.838 -8.415 1.00 22.63 C ATOM 457 NZ LYS A 29 4.109 -5.841 -8.431 1.00 24.98 N ATOM 0 H LYS A 29 -0.937 -1.985 -7.795 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.614 -4.614 -8.491 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.704 -3.564 -7.862 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.169 -3.494 -6.194 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.198 -5.857 -5.938 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.064 -6.149 -7.661 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.553 -4.727 -6.603 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.429 -6.462 -6.392 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.256 -6.782 -8.811 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.256 -5.049 -9.068 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.446 -6.294 -9.305 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.459 -4.862 -8.391 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.464 -6.369 -7.608 1.00 24.98 H new ATOM 471 N ILE A 30 -2.716 -3.913 -5.479 1.00 4.57 N ATOM 472 CA ILE A 30 -3.750 -4.272 -4.528 1.00 5.58 C ATOM 473 C ILE A 30 -5.132 -4.448 -5.157 1.00 7.26 C ATOM 474 O ILE A 30 -5.937 -5.324 -4.828 1.00 9.46 O ATOM 475 CB ILE A 30 -3.872 -3.495 -3.206 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.546 -3.723 -2.390 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.125 -3.945 -2.382 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.491 -3.029 -1.057 1.00 2.00 C ATOM 0 H ILE A 30 -2.289 -3.010 -5.274 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.343 -5.233 -4.214 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.010 -2.434 -3.416 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.415 -4.793 -2.231 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.704 -3.385 -2.993 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.176 -3.373 -1.456 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.028 -3.769 -2.967 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.045 -5.007 -2.149 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.539 -3.247 -0.572 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.586 -1.953 -1.203 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.308 -3.383 -0.428 1.00 2.00 H new ATOM 490 N GLN A 31 -5.520 -3.662 -6.168 1.00 7.06 N ATOM 491 CA GLN A 31 -6.754 -3.785 -7.009 1.00 8.67 C ATOM 492 C GLN A 31 -6.853 -5.077 -7.714 1.00 10.90 C ATOM 493 O GLN A 31 -7.825 -5.800 -7.555 1.00 9.63 O ATOM 494 CB GLN A 31 -6.909 -2.720 -8.111 1.00 9.12 C ATOM 495 CG GLN A 31 -8.318 -2.779 -8.788 1.00 10.76 C ATOM 496 CD GLN A 31 -8.416 -1.572 -9.777 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.482 -0.864 -10.038 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.651 -1.395 -10.376 1.00 14.76 N ATOM 0 H GLN A 31 -4.953 -2.863 -6.454 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.534 -3.663 -6.257 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.754 -1.730 -7.683 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.137 -2.865 -8.867 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.449 -3.722 -9.320 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.106 -2.724 -8.037 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.427 -2.011 -10.136 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.785 -0.648 -11.058 1.00 14.76 H new ATOM 507 N ASP A 32 -5.838 -5.486 -8.439 1.00 10.93 N ATOM 508 CA ASP A 32 -5.748 -6.779 -9.117 1.00 14.01 C ATOM 509 C ASP A 32 -5.877 -8.004 -8.200 1.00 14.04 C ATOM 510 O ASP A 32 -6.397 -9.044 -8.552 1.00 13.39 O ATOM 511 CB ASP A 32 -4.472 -6.858 -9.985 1.00 18.01 C ATOM 512 CG ASP A 32 -4.461 -6.040 -11.311 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.566 -5.828 -11.837 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.365 -5.597 -11.711 1.00 25.17 O ATOM 0 H ASP A 32 -5.010 -4.908 -8.585 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.626 -6.824 -9.761 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.629 -6.528 -9.378 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.296 -7.905 -10.232 1.00 18.01 H new ATOM 519 N LYS A 33 -5.316 -7.867 -6.922 1.00 14.22 N ATOM 520 CA LYS A 33 -5.465 -8.932 -5.949 1.00 14.00 C ATOM 521 C LYS A 33 -6.831 -8.999 -5.243 1.00 12.37 C ATOM 522 O LYS A 33 -7.438 -10.063 -5.177 1.00 12.17 O ATOM 523 CB LYS A 33 -4.362 -8.809 -4.910 1.00 18.62 C ATOM 524 CG LYS A 33 -2.912 -8.997 -5.492 1.00 24.00 C ATOM 525 CD LYS A 33 -2.502 -10.460 -5.592 1.00 27.61 C ATOM 526 CE LYS A 33 -1.010 -10.671 -6.022 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.775 -12.115 -6.280 1.00 30.06 N ATOM 0 H LYS A 33 -4.791 -7.054 -6.600 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.394 -9.860 -6.516 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.429 -7.829 -4.438 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.528 -9.551 -4.129 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.860 -8.541 -6.481 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.200 -8.467 -4.859 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.663 -10.940 -4.627 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.151 -10.961 -6.310 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.791 -10.089 -6.917 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.340 -10.315 -5.239 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.214 -12.260 -6.566 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.969 -12.658 -5.415 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.406 -12.439 -7.041 1.00 30.06 H new ATOM 541 N GLU A 34 -7.388 -7.884 -4.805 1.00 10.11 N ATOM 542 CA GLU A 34 -8.555 -7.953 -3.952 1.00 10.07 C ATOM 543 C GLU A 34 -9.794 -7.339 -4.579 1.00 9.32 C ATOM 544 O GLU A 34 -10.889 -7.446 -4.024 1.00 11.61 O ATOM 545 CB GLU A 34 -8.305 -7.278 -2.582 1.00 14.77 C ATOM 546 CG GLU A 34 -7.294 -8.059 -1.669 1.00 18.75 C ATOM 547 CD GLU A 34 -7.826 -9.344 -1.087 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.805 -9.409 -0.346 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.228 -10.389 -1.451 1.00 25.19 O ATOM 0 H GLU A 34 -7.059 -6.943 -5.020 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.737 -9.018 -3.811 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.927 -6.269 -2.748 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.255 -7.180 -2.056 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.400 -8.283 -2.251 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.987 -7.407 -0.852 1.00 18.75 H new ATOM 556 N GLY A 35 -9.679 -6.731 -5.762 1.00 7.22 N ATOM 557 CA GLY A 35 -10.696 -6.019 -6.512 1.00 6.29 C ATOM 558 C GLY A 35 -11.066 -4.696 -5.948 1.00 6.93 C ATOM 559 O GLY A 35 -12.076 -4.196 -6.362 1.00 7.41 O ATOM 0 H GLY A 35 -8.787 -6.729 -6.257 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.344 -5.878 -7.534 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.590 -6.640 -6.566 1.00 6.29 H new ATOM 563 N ILE A 36 -10.244 -4.115 -5.018 1.00 5.86 N ATOM 564 CA ILE A 36 -10.573 -2.873 -4.343 1.00 6.07 C ATOM 565 C ILE A 36 -10.150 -1.671 -5.226 1.00 6.36 C ATOM 566 O ILE A 36 -8.972 -1.627 -5.566 1.00 6.18 O ATOM 567 CB ILE A 36 -9.901 -2.750 -2.957 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.181 -3.949 -2.115 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.230 -1.426 -2.273 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.055 -4.218 -1.103 1.00 9.49 C ATOM 0 H ILE A 36 -9.348 -4.512 -4.736 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.651 -2.872 -4.184 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.821 -2.730 -3.106 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.121 -3.806 -1.582 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.308 -4.821 -2.757 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.736 -1.385 -1.302 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.881 -0.600 -2.893 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.308 -1.346 -2.135 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.301 -5.100 -0.511 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.120 -4.388 -1.636 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.945 -3.357 -0.443 1.00 9.49 H new ATOM 582 N PRO A 37 -10.969 -0.697 -5.654 1.00 8.65 N ATOM 583 CA PRO A 37 -10.510 0.528 -6.293 1.00 9.18 C ATOM 584 C PRO A 37 -9.366 1.332 -5.598 1.00 9.85 C ATOM 585 O PRO A 37 -9.426 1.532 -4.385 1.00 8.51 O ATOM 586 CB PRO A 37 -11.778 1.384 -6.450 1.00 11.42 C ATOM 587 CG PRO A 37 -12.992 0.441 -6.459 1.00 9.27 C ATOM 588 CD PRO A 37 -12.421 -0.705 -5.586 1.00 8.33 C ATOM 0 HA PRO A 37 -10.023 0.253 -7.228 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.858 2.100 -5.632 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.736 1.960 -7.374 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.882 0.897 -6.025 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.261 0.111 -7.463 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.747 -0.585 -4.553 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.805 -1.665 -5.932 1.00 8.33 H new ATOM 596 N PRO A 38 -8.341 1.784 -6.274 1.00 8.71 N ATOM 597 CA PRO A 38 -7.258 2.514 -5.658 1.00 9.08 C ATOM 598 C PRO A 38 -7.691 3.783 -4.946 1.00 9.28 C ATOM 599 O PRO A 38 -7.023 4.179 -3.979 1.00 6.50 O ATOM 600 CB PRO A 38 -6.257 2.710 -6.831 1.00 10.31 C ATOM 601 CG PRO A 38 -6.434 1.410 -7.531 1.00 10.81 C ATOM 602 CD PRO A 38 -7.927 1.150 -7.557 1.00 12.00 C ATOM 0 HA PRO A 38 -6.800 1.980 -4.825 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.513 3.562 -7.461 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.234 2.864 -6.487 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.028 1.452 -8.542 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.908 0.611 -7.009 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.412 1.607 -8.420 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.161 0.086 -7.587 1.00 12.00 H new ATOM 610 N ASP A 39 -8.748 4.480 -5.378 1.00 11.20 N ATOM 611 CA ASP A 39 -9.322 5.629 -4.665 1.00 14.96 C ATOM 612 C ASP A 39 -9.938 5.274 -3.310 1.00 13.99 C ATOM 613 O ASP A 39 -10.143 6.093 -2.470 1.00 13.75 O ATOM 614 CB ASP A 39 -10.376 6.285 -5.575 1.00 24.16 C ATOM 615 CG ASP A 39 -9.706 7.128 -6.629 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.262 6.576 -7.700 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.702 8.375 -6.583 1.00 34.22 O ATOM 0 H ASP A 39 -9.237 4.259 -6.246 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.507 6.317 -4.441 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.986 5.516 -6.049 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.047 6.903 -4.978 1.00 24.16 H new ATOM 622 N GLN A 40 -10.183 3.967 -2.970 1.00 11.60 N ATOM 623 CA GLN A 40 -10.633 3.451 -1.742 1.00 10.76 C ATOM 624 C GLN A 40 -9.540 2.985 -0.814 1.00 8.01 C ATOM 625 O GLN A 40 -9.770 2.275 0.155 1.00 8.96 O ATOM 626 CB GLN A 40 -11.641 2.300 -2.196 1.00 11.14 C ATOM 627 CG GLN A 40 -12.590 1.763 -0.991 1.00 14.85 C ATOM 628 CD GLN A 40 -13.638 0.820 -1.460 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.697 -0.260 -0.836 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.410 1.165 -2.500 1.00 18.16 N ATOM 0 H GLN A 40 -10.040 3.222 -3.651 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.107 4.211 -1.121 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.269 2.675 -3.004 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.069 1.464 -2.599 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.972 1.269 -0.241 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.065 2.614 -0.502 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.287 2.074 -2.947 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.120 0.519 -2.844 1.00 18.16 H new ATOM 639 N GLN A 41 -8.281 3.245 -1.106 1.00 6.52 N ATOM 640 CA GLN A 41 -7.201 2.683 -0.280 1.00 3.87 C ATOM 641 C GLN A 41 -6.298 3.716 0.292 1.00 4.79 C ATOM 642 O GLN A 41 -5.686 4.571 -0.383 1.00 6.34 O ATOM 643 CB GLN A 41 -6.358 1.646 -1.132 1.00 4.20 C ATOM 644 CG GLN A 41 -7.112 0.484 -1.904 1.00 3.20 C ATOM 645 CD GLN A 41 -6.207 -0.354 -2.750 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.008 -0.363 -2.485 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.725 -0.899 -3.797 1.00 7.13 N ATOM 0 H GLN A 41 -7.973 3.825 -1.886 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.679 2.184 0.563 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.788 2.213 -1.868 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.637 1.180 -0.461 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.615 -0.156 -1.179 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.886 0.920 -2.535 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.732 -0.851 -3.951 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.128 -1.378 -4.471 1.00 7.13 H new ATOM 656 N ARG A 42 -6.195 3.656 1.673 1.00 5.73 N ATOM 657 CA ARG A 42 -5.329 4.503 2.492 1.00 6.97 C ATOM 658 C ARG A 42 -4.262 3.578 2.965 1.00 7.15 C ATOM 659 O ARG A 42 -4.501 2.656 3.788 1.00 7.33 O ATOM 660 CB ARG A 42 -5.980 5.001 3.814 1.00 13.23 C ATOM 661 CG ARG A 42 -7.040 6.059 3.428 1.00 21.27 C ATOM 662 CD ARG A 42 -7.489 6.878 4.654 1.00 26.14 C ATOM 663 NE ARG A 42 -8.256 8.000 4.058 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.283 8.569 4.691 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.987 7.889 5.566 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.556 9.854 4.418 1.00 36.39 N ATOM 0 H ARG A 42 -6.736 2.993 2.228 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.040 5.368 1.895 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.441 4.173 4.352 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.228 5.432 4.475 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.630 6.728 2.672 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.903 5.565 2.982 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.105 6.285 5.330 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.637 7.236 5.232 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.990 8.347 3.136 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.750 6.917 5.767 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.771 8.332 6.045 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.985 10.365 3.744 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.334 10.320 4.884 1.00 36.39 H new ATOM 680 N LEU A 43 -3.059 3.727 2.428 1.00 4.65 N ATOM 681 CA LEU A 43 -1.938 2.870 2.709 1.00 3.51 C ATOM 682 C LEU A 43 -1.105 3.489 3.850 1.00 5.56 C ATOM 683 O LEU A 43 -0.393 4.468 3.631 1.00 4.19 O ATOM 684 CB LEU A 43 -1.159 2.464 1.394 1.00 3.74 C ATOM 685 CG LEU A 43 -1.830 1.567 0.357 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.825 1.249 -0.753 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.366 0.290 0.996 1.00 6.41 C ATOM 0 H LEU A 43 -2.840 4.472 1.767 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.270 1.902 3.084 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.873 3.386 0.889 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.237 1.970 1.702 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.684 2.092 -0.071 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.297 0.608 -1.498 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.499 2.176 -1.225 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.037 0.736 -0.327 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.838 -0.328 0.233 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.544 -0.261 1.452 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.100 0.546 1.761 1.00 6.41 H new ATOM 699 N ILE A 44 -1.118 2.909 5.088 1.00 4.58 N ATOM 700 CA ILE A 44 -0.436 3.483 6.262 1.00 5.55 C ATOM 701 C ILE A 44 0.778 2.607 6.516 1.00 5.46 C ATOM 702 O ILE A 44 0.750 1.367 6.471 1.00 6.04 O ATOM 703 CB ILE A 44 -1.424 3.578 7.471 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.850 4.028 7.055 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.759 4.442 8.568 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.859 4.142 8.230 1.00 13.90 C ATOM 0 H ILE A 44 -1.603 2.034 5.286 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.102 4.508 6.099 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.604 2.587 7.888 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.781 4.995 6.557 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.242 3.320 6.324 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.430 4.523 9.423 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.175 3.976 8.882 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.553 5.437 8.173 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.828 4.462 7.847 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.963 3.172 8.716 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.495 4.873 8.952 1.00 13.90 H new ATOM 718 N PHE A 45 1.929 3.256 6.794 1.00 6.75 N ATOM 719 CA PHE A 45 3.091 2.643 7.221 1.00 4.70 C ATOM 720 C PHE A 45 3.849 3.375 8.349 1.00 6.34 C ATOM 721 O PHE A 45 4.229 4.541 8.225 1.00 5.45 O ATOM 722 CB PHE A 45 3.982 2.298 5.986 1.00 5.51 C ATOM 723 CG PHE A 45 5.375 1.797 6.408 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.601 0.398 6.554 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.545 2.635 6.506 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.913 -0.120 6.780 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.808 2.127 6.596 1.00 6.64 C ATOM 728 CZ PHE A 45 8.085 0.752 6.788 1.00 6.84 C ATOM 0 H PHE A 45 2.021 4.268 6.706 1.00 6.75 H new ATOM 0 HA PHE A 45 2.798 1.715 7.712 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.489 1.535 5.384 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.089 3.182 5.357 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.765 -0.283 6.493 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.416 3.707 6.508 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.041 -1.179 6.949 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.641 2.810 6.517 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.087 0.376 6.930 1.00 6.84 H new ATOM 738 N ALA A 46 4.105 2.632 9.476 1.00 6.53 N ATOM 739 CA ALA A 46 4.686 3.129 10.699 1.00 7.15 C ATOM 740 C ALA A 46 3.924 4.317 11.219 1.00 9.00 C ATOM 741 O ALA A 46 4.486 5.326 11.609 1.00 11.15 O ATOM 742 CB ALA A 46 6.196 3.314 10.620 1.00 8.99 C ATOM 0 H ALA A 46 3.891 1.636 9.523 1.00 6.53 H new ATOM 0 HA ALA A 46 4.574 2.354 11.457 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.567 3.690 11.574 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.669 2.357 10.399 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.434 4.027 9.831 1.00 8.99 H new ATOM 748 N GLY A 47 2.583 4.249 11.143 1.00 9.35 N ATOM 749 CA GLY A 47 1.746 5.354 11.644 1.00 11.68 C ATOM 750 C GLY A 47 1.475 6.546 10.756 1.00 11.14 C ATOM 751 O GLY A 47 0.747 7.479 11.085 1.00 13.93 O ATOM 0 H GLY A 47 2.066 3.462 10.750 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.782 4.931 11.926 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.210 5.726 12.557 1.00 11.68 H new ATOM 755 N LYS A 48 1.970 6.527 9.532 1.00 10.47 N ATOM 756 CA LYS A 48 1.901 7.627 8.591 1.00 8.82 C ATOM 757 C LYS A 48 1.308 7.128 7.318 1.00 7.68 C ATOM 758 O LYS A 48 1.562 6.018 6.896 1.00 6.47 O ATOM 759 CB LYS A 48 3.265 8.172 8.274 1.00 9.74 C ATOM 760 CG LYS A 48 3.790 9.177 9.342 1.00 14.14 C ATOM 761 CD LYS A 48 2.994 10.455 9.345 1.00 16.32 C ATOM 762 CE LYS A 48 3.460 11.559 10.358 1.00 20.04 C ATOM 763 NZ LYS A 48 4.899 11.815 10.271 1.00 23.92 N ATOM 0 H LYS A 48 2.450 5.711 9.152 1.00 10.47 H new ATOM 0 HA LYS A 48 1.299 8.417 9.040 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.968 7.344 8.188 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.234 8.667 7.303 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.742 8.717 10.329 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.838 9.402 9.145 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.021 10.878 8.341 1.00 16.32 H new ATOM 0 HD3 LYS A 48 1.954 10.210 9.560 1.00 16.32 H new ATOM 0 HE2 LYS A 48 2.916 12.483 10.162 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.208 11.249 11.372 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.154 12.586 10.921 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.421 10.954 10.532 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.145 12.087 9.298 1.00 23.92 H new ATOM 777 N GLN A 49 0.488 7.950 6.686 1.00 8.89 N ATOM 778 CA GLN A 49 -0.198 7.670 5.456 1.00 7.18 C ATOM 779 C GLN A 49 0.752 7.896 4.253 1.00 8.23 C ATOM 780 O GLN A 49 1.562 8.821 4.451 1.00 9.70 O ATOM 781 CB GLN A 49 -1.525 8.412 5.205 1.00 11.67 C ATOM 782 CG GLN A 49 -2.714 8.123 6.156 1.00 15.82 C ATOM 783 CD GLN A 49 -3.872 9.055 5.758 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.435 9.033 4.642 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.291 9.923 6.706 1.00 20.67 N ATOM 0 H GLN A 49 0.278 8.881 7.046 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.490 6.625 5.561 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.321 9.482 5.242 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.848 8.184 4.189 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.020 7.080 6.079 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.424 8.295 7.193 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.833 9.943 7.617 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.065 10.558 6.510 1.00 20.67 H new ATOM 794 N LEU A 50 0.607 7.221 3.130 1.00 6.51 N ATOM 795 CA LEU A 50 1.544 7.296 2.112 1.00 7.41 C ATOM 796 C LEU A 50 0.991 7.990 0.892 1.00 8.27 C ATOM 797 O LEU A 50 -0.131 7.760 0.490 1.00 8.34 O ATOM 798 CB LEU A 50 2.128 5.895 1.732 1.00 7.13 C ATOM 799 CG LEU A 50 2.802 5.073 2.931 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.084 3.658 2.337 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.155 5.647 3.370 1.00 9.11 C ATOM 0 H LEU A 50 -0.184 6.609 2.931 1.00 6.51 H new ATOM 0 HA LEU A 50 2.366 7.897 2.501 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.326 5.291 1.308 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.872 6.033 0.948 1.00 7.13 H new ATOM 0 HG LEU A 50 2.141 5.093 3.798 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.548 3.030 3.098 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.146 3.205 2.015 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.755 3.749 1.483 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.558 5.045 4.185 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.848 5.630 2.529 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.022 6.674 3.709 1.00 9.11 H new ATOM 813 N GLU A 51 1.684 9.012 0.332 1.00 9.43 N ATOM 814 CA GLU A 51 1.264 9.820 -0.804 1.00 11.90 C ATOM 815 C GLU A 51 1.473 9.060 -2.128 1.00 11.49 C ATOM 816 O GLU A 51 2.535 8.491 -2.388 1.00 9.88 O ATOM 817 CB GLU A 51 1.834 11.225 -0.886 1.00 16.56 C ATOM 818 CG GLU A 51 1.481 12.277 0.235 1.00 26.06 C ATOM 819 CD GLU A 51 0.057 12.819 0.195 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.934 12.127 0.441 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.025 14.021 -0.217 1.00 33.44 O ATOM 0 H GLU A 51 2.595 9.297 0.690 1.00 9.43 H new ATOM 0 HA GLU A 51 0.201 9.983 -0.627 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.920 11.135 -0.918 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.521 11.648 -1.840 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.650 11.816 1.208 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.173 13.115 0.155 1.00 26.06 H new ATOM 828 N ASP A 52 0.477 9.080 -3.055 1.00 12.71 N ATOM 829 CA ASP A 52 0.383 8.187 -4.193 1.00 16.56 C ATOM 830 C ASP A 52 1.558 8.295 -5.228 1.00 15.83 C ATOM 831 O ASP A 52 2.050 7.318 -5.757 1.00 17.21 O ATOM 832 CB ASP A 52 -0.929 8.501 -4.967 1.00 21.05 C ATOM 833 CG ASP A 52 -2.108 8.203 -4.100 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.539 7.032 -3.944 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.663 9.161 -3.506 1.00 25.82 O ATOM 0 H ASP A 52 -0.295 9.746 -3.010 1.00 12.71 H new ATOM 0 HA ASP A 52 0.417 7.182 -3.772 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.943 9.548 -5.269 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.976 7.906 -5.879 1.00 21.05 H new ATOM 840 N GLY A 53 2.044 9.523 -5.525 1.00 15.00 N ATOM 841 CA GLY A 53 3.204 9.720 -6.478 1.00 11.77 C ATOM 842 C GLY A 53 4.521 9.524 -5.942 1.00 11.10 C ATOM 843 O GLY A 53 5.540 9.812 -6.592 1.00 11.25 O ATOM 0 H GLY A 53 1.671 10.389 -5.136 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.074 9.037 -7.318 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.147 10.732 -6.878 1.00 11.77 H new ATOM 847 N ARG A 54 4.612 9.105 -4.697 1.00 8.53 N ATOM 848 CA ARG A 54 5.909 8.870 -4.105 1.00 9.05 C ATOM 849 C ARG A 54 6.408 7.486 -4.221 1.00 8.96 C ATOM 850 O ARG A 54 5.578 6.591 -4.475 1.00 11.60 O ATOM 851 CB ARG A 54 5.800 9.089 -2.585 1.00 7.97 C ATOM 852 CG ARG A 54 5.379 10.493 -2.205 1.00 9.62 C ATOM 853 CD ARG A 54 6.457 11.612 -2.386 1.00 12.20 C ATOM 854 NE ARG A 54 5.871 12.855 -1.870 1.00 18.23 N ATOM 855 CZ ARG A 54 5.738 13.232 -0.619 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.255 12.520 0.349 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.044 14.350 -0.282 1.00 23.38 N ATOM 0 H ARG A 54 3.817 8.923 -4.085 1.00 8.53 H new ATOM 0 HA ARG A 54 6.580 9.544 -4.637 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.082 8.379 -2.174 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.763 8.870 -2.124 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.505 10.761 -2.799 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.065 10.486 -1.161 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.369 11.361 -1.844 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.729 11.720 -3.436 1.00 12.20 H new ATOM 0 HE ARG A 54 5.523 13.508 -2.572 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.767 11.664 0.135 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.146 12.821 1.318 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.611 14.920 -1.009 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.956 14.620 0.698 1.00 23.38 H new ATOM 871 N THR A 55 7.719 7.200 -3.962 1.00 9.05 N ATOM 872 CA THR A 55 8.158 5.826 -4.119 1.00 9.03 C ATOM 873 C THR A 55 8.224 5.088 -2.806 1.00 8.15 C ATOM 874 O THR A 55 8.288 5.758 -1.743 1.00 5.91 O ATOM 875 CB THR A 55 9.560 5.695 -4.795 1.00 11.15 C ATOM 876 OG1 THR A 55 10.646 6.269 -4.122 1.00 11.95 O ATOM 877 CG2 THR A 55 9.374 6.446 -6.141 1.00 11.71 C ATOM 0 H THR A 55 8.429 7.869 -3.665 1.00 9.05 H new ATOM 0 HA THR A 55 7.401 5.383 -4.766 1.00 9.03 H new ATOM 0 HB THR A 55 9.822 4.638 -4.845 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.466 6.122 -4.639 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.306 6.418 -6.705 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.585 5.966 -6.720 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.100 7.483 -5.944 1.00 11.71 H new ATOM 885 N LEU A 56 8.305 3.709 -2.727 1.00 6.91 N ATOM 886 CA LEU A 56 8.516 2.961 -1.506 1.00 8.29 C ATOM 887 C LEU A 56 9.811 3.361 -0.893 1.00 8.05 C ATOM 888 O LEU A 56 9.929 3.488 0.327 1.00 10.17 O ATOM 889 CB LEU A 56 8.469 1.461 -1.974 1.00 6.60 C ATOM 890 CG LEU A 56 7.037 1.028 -2.252 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.062 -0.304 -3.093 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.101 0.867 -1.085 1.00 8.64 C ATOM 0 H LEU A 56 8.219 3.110 -3.548 1.00 6.91 H new ATOM 0 HA LEU A 56 7.774 3.141 -0.728 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.073 1.336 -2.873 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.905 0.822 -1.206 1.00 6.60 H new ATOM 0 HG LEU A 56 6.612 1.875 -2.790 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.040 -0.624 -3.298 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.584 -0.130 -4.034 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.579 -1.081 -2.529 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.121 0.555 -1.445 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.495 0.112 -0.404 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.009 1.817 -0.559 1.00 8.64 H new ATOM 904 N SER A 57 10.859 3.509 -1.659 1.00 8.92 N ATOM 905 CA SER A 57 12.137 4.023 -1.199 1.00 9.00 C ATOM 906 C SER A 57 12.183 5.392 -0.592 1.00 9.44 C ATOM 907 O SER A 57 12.962 5.680 0.248 1.00 10.91 O ATOM 908 CB SER A 57 13.158 4.042 -2.373 1.00 10.32 C ATOM 909 OG SER A 57 14.547 4.262 -2.102 1.00 13.59 O ATOM 0 H SER A 57 10.855 3.270 -2.651 1.00 8.92 H new ATOM 0 HA SER A 57 12.371 3.329 -0.391 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.075 3.087 -2.892 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.836 4.814 -3.072 1.00 10.32 H new ATOM 0 HG SER A 57 15.051 4.243 -2.942 1.00 13.59 H new ATOM 915 N ASP A 58 11.275 6.324 -1.020 1.00 9.11 N ATOM 916 CA ASP A 58 11.245 7.679 -0.565 1.00 7.91 C ATOM 917 C ASP A 58 10.454 7.819 0.739 1.00 9.12 C ATOM 918 O ASP A 58 10.164 8.913 1.244 1.00 8.61 O ATOM 919 CB ASP A 58 10.620 8.589 -1.637 1.00 8.41 C ATOM 920 CG ASP A 58 10.936 10.061 -1.430 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.086 10.371 -1.087 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.036 10.869 -1.629 1.00 11.70 O ATOM 0 H ASP A 58 10.547 6.112 -1.703 1.00 9.11 H new ATOM 0 HA ASP A 58 12.275 7.982 -0.378 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.978 8.282 -2.619 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.539 8.452 -1.635 1.00 8.41 H new ATOM 927 N TYR A 59 10.009 6.648 1.301 1.00 7.97 N ATOM 928 CA TYR A 59 9.439 6.483 2.650 1.00 8.45 C ATOM 929 C TYR A 59 10.124 5.409 3.457 1.00 10.98 C ATOM 930 O TYR A 59 9.560 4.873 4.431 1.00 12.95 O ATOM 931 CB TYR A 59 7.955 6.026 2.520 1.00 7.94 C ATOM 932 CG TYR A 59 7.081 7.207 2.140 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.894 8.259 2.986 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.271 7.128 0.989 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.939 9.270 2.771 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.398 8.213 0.721 1.00 6.52 C ATOM 937 CZ TYR A 59 5.282 9.300 1.568 1.00 6.76 C ATOM 938 OH TYR A 59 4.169 10.201 1.288 1.00 7.63 O ATOM 0 H TYR A 59 10.047 5.766 0.791 1.00 7.97 H new ATOM 0 HA TYR A 59 9.559 7.445 3.149 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.871 5.243 1.766 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.613 5.598 3.463 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.512 8.320 3.869 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.314 6.271 0.334 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.729 10.004 3.535 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.801 8.189 -0.179 1.00 6.52 H new ATOM 0 HH TYR A 59 4.275 11.024 1.810 1.00 7.63 H new ATOM 948 N ASN A 60 11.391 5.004 3.081 1.00 12.38 N ATOM 949 CA ASN A 60 12.205 4.176 3.896 1.00 13.94 C ATOM 950 C ASN A 60 11.702 2.743 4.159 1.00 14.16 C ATOM 951 O ASN A 60 11.694 2.213 5.273 1.00 14.26 O ATOM 952 CB ASN A 60 12.647 4.908 5.146 1.00 19.23 C ATOM 953 CG ASN A 60 13.347 6.262 4.899 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.919 6.477 3.832 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.419 7.121 5.915 1.00 24.09 N ATOM 0 H ASN A 60 11.826 5.270 2.198 1.00 12.38 H new ATOM 0 HA ASN A 60 13.086 3.977 3.286 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.774 5.077 5.777 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.324 4.263 5.706 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.958 7.981 5.818 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.935 6.918 6.790 1.00 24.09 H new ATOM 962 N ILE A 61 11.218 2.097 3.049 1.00 11.08 N ATOM 963 CA ILE A 61 10.655 0.726 3.130 1.00 11.78 C ATOM 964 C ILE A 61 11.712 -0.228 2.506 1.00 13.74 C ATOM 965 O ILE A 61 12.322 0.008 1.459 1.00 14.60 O ATOM 966 CB ILE A 61 9.300 0.624 2.373 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.283 1.398 3.190 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.845 -0.832 2.277 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.113 1.883 2.350 1.00 11.42 C ATOM 0 H ILE A 61 11.210 2.501 2.113 1.00 11.08 H new ATOM 0 HA ILE A 61 10.448 0.457 4.166 1.00 11.78 H new ATOM 0 HB ILE A 61 9.402 1.020 1.362 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.911 0.765 3.996 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.771 2.254 3.657 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.895 -0.882 1.744 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.594 -1.413 1.739 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.720 -1.241 3.280 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.414 2.431 2.982 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.479 2.539 1.560 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.605 1.027 1.905 1.00 11.42 H new ATOM 981 N GLN A 62 11.910 -1.389 3.123 1.00 13.97 N ATOM 982 CA GLN A 62 12.827 -2.397 2.665 1.00 15.52 C ATOM 983 C GLN A 62 12.061 -3.756 2.636 1.00 13.94 C ATOM 984 O GLN A 62 10.868 -3.851 2.978 1.00 12.15 O ATOM 985 CB GLN A 62 14.008 -2.534 3.621 1.00 19.53 C ATOM 986 CG GLN A 62 13.562 -2.906 5.076 1.00 26.38 C ATOM 987 CD GLN A 62 14.758 -3.012 5.950 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.193 -4.103 6.318 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.283 -1.818 6.239 1.00 32.71 N ATOM 0 H GLN A 62 11.418 -1.650 3.977 1.00 13.97 H new ATOM 0 HA GLN A 62 13.204 -2.121 1.680 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.688 -3.299 3.246 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.564 -1.597 3.643 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.881 -2.148 5.464 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.018 -3.850 5.070 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.844 -0.968 5.883 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.122 -1.756 6.815 1.00 32.71 H new ATOM 998 N LYS A 63 12.736 -4.799 2.131 1.00 11.73 N ATOM 999 CA LYS A 63 12.198 -6.135 1.982 1.00 11.97 C ATOM 1000 C LYS A 63 11.631 -6.630 3.362 1.00 10.41 C ATOM 1001 O LYS A 63 12.246 -6.461 4.433 1.00 9.59 O ATOM 1002 CB LYS A 63 13.251 -7.167 1.444 1.00 13.73 C ATOM 1003 CG LYS A 63 14.522 -7.265 2.326 1.00 16.98 C ATOM 1004 CD LYS A 63 15.544 -8.254 1.715 1.00 20.19 C ATOM 1005 CE LYS A 63 16.862 -8.290 2.529 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.631 -8.784 3.892 1.00 25.97 N ATOM 0 H LYS A 63 13.701 -4.721 1.809 1.00 11.73 H new ATOM 0 HA LYS A 63 11.403 -6.077 1.238 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.785 -8.150 1.380 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.541 -6.885 0.432 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.978 -6.280 2.425 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.249 -7.592 3.329 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.109 -9.253 1.682 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.759 -7.966 0.686 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.586 -8.930 2.025 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.295 -7.290 2.570 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.543 -8.910 4.375 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.053 -8.097 4.417 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.132 -9.696 3.851 1.00 25.97 H new ATOM 1020 N GLU A 64 10.462 -7.338 3.314 1.00 10.04 N ATOM 1021 CA GLU A 64 9.864 -8.099 4.443 1.00 10.94 C ATOM 1022 C GLU A 64 9.199 -7.099 5.436 1.00 9.74 C ATOM 1023 O GLU A 64 8.697 -7.436 6.512 1.00 9.42 O ATOM 1024 CB GLU A 64 10.747 -9.140 5.237 1.00 18.31 C ATOM 1025 CG GLU A 64 11.247 -10.233 4.261 1.00 24.16 C ATOM 1026 CD GLU A 64 11.991 -11.456 4.814 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.122 -11.284 5.250 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.432 -12.566 4.754 1.00 32.61 O ATOM 0 H GLU A 64 9.900 -7.393 2.465 1.00 10.04 H new ATOM 0 HA GLU A 64 9.155 -8.755 3.938 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.594 -8.636 5.702 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.164 -9.592 6.040 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.381 -10.599 3.709 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.905 -9.750 3.538 1.00 24.16 H new ATOM 1035 N SER A 65 9.063 -5.846 4.972 1.00 6.85 N ATOM 1036 CA SER A 65 8.244 -4.857 5.678 1.00 6.90 C ATOM 1037 C SER A 65 6.755 -5.144 5.719 1.00 4.72 C ATOM 1038 O SER A 65 6.237 -5.843 4.846 1.00 3.91 O ATOM 1039 CB SER A 65 8.432 -3.399 5.264 1.00 7.28 C ATOM 1040 OG SER A 65 9.762 -2.904 5.286 1.00 10.56 O ATOM 0 H SER A 65 9.506 -5.500 4.121 1.00 6.85 H new ATOM 0 HA SER A 65 8.657 -4.982 6.679 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.038 -3.277 4.255 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.825 -2.776 5.921 1.00 7.28 H new ATOM 0 HG SER A 65 10.221 -3.163 4.460 1.00 10.56 H new ATOM 1046 N THR A 66 6.032 -4.777 6.794 1.00 4.48 N ATOM 1047 CA THR A 66 4.578 -4.960 6.918 1.00 3.80 C ATOM 1048 C THR A 66 3.910 -3.624 6.797 1.00 4.60 C ATOM 1049 O THR A 66 4.135 -2.684 7.572 1.00 5.33 O ATOM 1050 CB THR A 66 4.155 -5.508 8.291 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.710 -6.768 8.658 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.623 -5.690 8.341 1.00 3.40 C ATOM 0 H THR A 66 6.452 -4.338 7.613 1.00 4.48 H new ATOM 0 HA THR A 66 4.291 -5.666 6.139 1.00 3.80 H new ATOM 0 HB THR A 66 4.534 -4.761 8.988 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.381 -7.025 9.545 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.334 -6.079 9.318 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.137 -4.729 8.175 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.314 -6.391 7.566 1.00 3.40 H new ATOM 1060 N LEU A 67 3.091 -3.520 5.785 1.00 4.17 N ATOM 1061 CA LEU A 67 2.330 -2.320 5.395 1.00 3.85 C ATOM 1062 C LEU A 67 0.895 -2.576 5.834 1.00 3.80 C ATOM 1063 O LEU A 67 0.536 -3.728 5.832 1.00 5.54 O ATOM 1064 CB LEU A 67 2.458 -2.064 3.854 1.00 7.18 C ATOM 1065 CG LEU A 67 3.784 -1.335 3.306 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.060 -2.212 3.527 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.684 -0.864 1.836 1.00 11.66 C ATOM 0 H LEU A 67 2.913 -4.307 5.161 1.00 4.17 H new ATOM 0 HA LEU A 67 2.710 -1.416 5.870 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.376 -3.027 3.350 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.600 -1.468 3.544 1.00 7.18 H new ATOM 0 HG LEU A 67 3.877 -0.429 3.905 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.934 -1.686 3.144 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.190 -2.404 4.592 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.947 -3.159 2.999 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.618 -0.383 1.544 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.500 -1.723 1.190 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.863 -0.153 1.737 1.00 11.66 H new ATOM 1079 N HIS A 68 0.091 -1.592 6.207 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.289 -1.884 6.563 1.00 4.17 C ATOM 1081 C HIS A 68 -2.212 -1.202 5.536 1.00 5.32 C ATOM 1082 O HIS A 68 -2.064 -0.032 5.216 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.629 -1.333 7.978 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.520 -1.608 8.951 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.580 -0.814 9.141 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.349 -2.689 9.710 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.401 -1.457 10.021 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.849 -2.629 10.359 1.00 16.30 N ATOM 0 H HIS A 68 0.360 -0.610 6.270 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.431 -2.965 6.565 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.806 -0.259 7.919 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.552 -1.789 8.336 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.058 -3.498 9.799 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.345 -1.081 10.386 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.245 -3.336 10.978 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.152 -1.954 4.970 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.172 -1.527 4.069 1.00 3.97 C ATOM 1098 C LEU A 69 -5.398 -1.149 4.842 1.00 5.07 C ATOM 1099 O LEU A 69 -5.901 -1.960 5.610 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.568 -2.672 3.178 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.912 -2.521 2.448 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.739 -1.339 1.476 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.198 -3.749 1.619 1.00 9.96 C ATOM 0 H LEU A 69 -3.208 -2.955 5.157 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.790 -0.685 3.491 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.786 -2.814 2.432 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.604 -3.580 3.780 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.721 -2.374 3.164 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.666 -1.182 0.925 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.494 -0.438 2.039 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.934 -1.559 0.775 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.153 -3.628 1.107 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.406 -3.883 0.882 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.242 -4.624 2.268 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.915 0.067 4.632 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.036 0.614 5.392 1.00 6.26 C ATOM 1117 C VAL A 70 -7.967 1.189 4.370 1.00 9.22 C ATOM 1118 O VAL A 70 -7.618 2.064 3.574 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.648 1.674 6.459 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.940 2.158 7.138 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.891 0.968 7.597 1.00 8.54 C ATOM 0 H VAL A 70 -5.559 0.704 3.919 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.490 -0.180 5.984 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.073 2.469 5.984 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.696 2.905 7.894 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.600 2.599 6.391 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.441 1.313 7.611 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.611 1.699 8.356 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.532 0.208 8.044 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.993 0.496 7.199 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.210 0.709 4.239 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.150 1.161 3.236 1.00 16.06 C ATOM 1133 C LEU A 71 -10.735 2.501 3.538 1.00 18.09 C ATOM 1134 O LEU A 71 -10.976 2.909 4.658 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.324 0.099 3.192 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.911 -1.339 2.955 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.090 -2.256 3.208 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.135 -1.576 1.663 1.00 19.57 C ATOM 0 H LEU A 71 -9.587 -0.019 4.846 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.621 1.254 2.287 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.868 0.149 4.135 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.021 0.390 2.406 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.150 -1.604 3.689 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.790 -3.290 3.037 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.425 -2.141 4.239 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.904 -1.997 2.531 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.882 -2.633 1.579 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.748 -1.281 0.811 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.220 -0.984 1.674 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.997 3.326 2.514 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.349 4.676 2.704 1.00 25.83 C ATOM 1152 C ARG A 72 -12.765 4.942 3.232 1.00 27.74 C ATOM 1153 O ARG A 72 -13.766 4.493 2.648 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.016 5.544 1.387 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.193 7.002 1.608 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.350 7.790 0.637 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.642 9.255 0.989 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.239 10.327 0.365 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.426 10.281 -0.653 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.570 11.545 0.888 1.00 35.02 N ATOM 0 H ARG A 72 -10.961 3.040 1.536 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.718 5.011 3.527 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.989 5.349 1.077 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.662 5.222 0.570 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.243 7.269 1.487 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.915 7.257 2.631 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.291 7.557 0.748 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.618 7.567 -0.396 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.223 9.409 1.813 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.081 9.382 -0.990 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.135 11.144 -1.113 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.119 11.599 1.746 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.268 12.400 0.421 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.772 5.749 4.268 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.951 6.325 4.930 1.00 30.76 C ATOM 1176 C LEU A 73 -14.090 7.742 4.409 1.00 32.18 C ATOM 1177 O LEU A 73 -13.131 8.489 4.428 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.923 6.188 6.491 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.794 4.774 6.966 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.725 4.663 8.501 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.950 3.881 6.473 1.00 29.11 C ATOM 0 H LEU A 73 -11.903 6.049 4.710 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.851 5.763 4.681 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.091 6.772 6.884 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.836 6.619 6.902 1.00 30.53 H new ATOM 0 HG LEU A 73 -12.854 4.426 6.539 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -13.632 3.615 8.786 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -12.861 5.217 8.867 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.633 5.078 8.937 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.810 2.866 6.845 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.897 4.275 6.842 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.962 3.870 5.383 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.276 8.107 3.848 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.477 9.465 3.312 1.00 35.33 C ATOM 1195 C ARG A 74 -16.039 10.382 4.391 1.00 36.22 C ATOM 1196 O ARG A 74 -16.295 11.536 4.190 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.397 9.327 2.059 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.656 8.684 0.843 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.606 9.548 0.194 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.897 8.721 -0.806 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.018 9.280 -1.683 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.788 10.601 -1.747 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.348 8.459 -2.529 1.00 41.93 N ATOM 0 H ARG A 74 -16.084 7.490 3.760 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.540 9.930 3.005 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.265 8.719 2.314 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.769 10.311 1.775 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.186 7.758 1.174 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.396 8.414 0.090 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.065 10.414 -0.283 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.908 9.927 0.940 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.069 7.716 -0.839 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.282 11.236 -1.120 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.119 10.970 -2.423 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.509 7.452 -2.497 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.683 8.848 -3.197 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.141 9.821 5.639 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.492 10.461 6.906 1.00 36.07 C ATOM 1219 C GLY A 75 -15.288 10.935 7.620 1.00 36.16 C ATOM 1220 O GLY A 75 -15.382 11.559 8.673 1.00 36.26 O ATOM 0 H GLY A 75 -15.960 8.826 5.771 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.161 11.301 6.718 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.036 9.755 7.534 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.139 10.658 6.974 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.959 11.162 7.602 1.00 36.19 C ATOM 1226 C GLY A 76 -11.743 10.758 6.826 1.00 36.20 C ATOM 1227 O GLY A 76 -11.369 11.454 5.840 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.187 9.750 7.216 1.00 0.00 O ATOM 0 H GLY A 76 -14.027 10.138 6.104 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.011 12.249 7.670 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.891 10.782 8.621 1.00 36.19 H new TER 1232 GLY A 76