USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 25 ASN : amide:sc=-0.00749 K(o=0.1,f=-9.5!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 176:sc= 0.112 (180deg=0) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0058) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.543 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 0.753 (180deg=-0.35!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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= 0.024 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.422 K(o=-0.42,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 41 GLN : amide:sc= 0.911 K(o=0.91,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0408) USER MOD Single : A 49 GLN : amide:sc= 0.448 K(o=0.45,f=-3!) USER MOD Single : A 55 THR OG1 : rot -61:sc= 0.58 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 163:sc= 0.321 USER MOD Single : A 60 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.0079) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.676 2.879 -2.559 1.00 9.67 N ATOM 2 CA MET A 1 -13.282 3.420 -1.239 1.00 10.38 C ATOM 3 C MET A 1 -11.957 4.100 -1.238 1.00 9.62 C ATOM 4 O MET A 1 -11.091 3.989 -2.105 1.00 9.62 O ATOM 5 CB MET A 1 -13.345 2.438 -0.057 1.00 13.77 C ATOM 6 CG MET A 1 -12.479 1.177 -0.099 1.00 16.29 C ATOM 7 SD MET A 1 -12.787 0.100 1.332 1.00 17.17 S ATOM 8 CE MET A 1 -11.201 -0.775 1.203 1.00 16.11 C ATOM 0 H1 MET A 1 -14.614 2.436 -2.487 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.710 3.651 -3.255 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.981 2.169 -2.865 1.00 9.67 H new ATOM 0 HA MET A 1 -14.067 4.158 -1.074 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.081 2.990 0.845 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.382 2.122 0.055 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.682 0.627 -1.018 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.426 1.459 -0.122 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.190 -1.612 1.901 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.073 -1.148 0.187 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.387 -0.091 1.444 1.00 16.11 H new ATOM 20 N GLN A 2 -11.591 4.914 -0.231 1.00 9.27 N ATOM 21 CA GLN A 2 -10.345 5.614 -0.233 1.00 9.07 C ATOM 22 C GLN A 2 -9.466 5.130 0.869 1.00 8.72 C ATOM 23 O GLN A 2 -9.870 5.083 2.029 1.00 8.22 O ATOM 24 CB GLN A 2 -10.658 7.095 0.041 1.00 14.46 C ATOM 25 CG GLN A 2 -9.542 8.141 0.038 1.00 17.01 C ATOM 26 CD GLN A 2 -10.018 9.562 0.305 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.978 10.010 1.450 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.337 10.233 -0.834 1.00 19.49 N ATOM 0 H GLN A 2 -12.166 5.088 0.593 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.841 5.460 -1.187 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.395 7.410 -0.698 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -11.143 7.146 1.016 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.803 7.870 0.792 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.037 8.114 -0.928 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.334 9.746 -1.730 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.579 11.223 -0.792 1.00 19.49 H new ATOM 37 N ILE A 3 -8.156 4.919 0.647 1.00 5.87 N ATOM 38 CA ILE A 3 -7.177 4.758 1.676 1.00 5.07 C ATOM 39 C ILE A 3 -6.036 5.681 1.417 1.00 4.01 C ATOM 40 O ILE A 3 -5.942 6.347 0.387 1.00 4.61 O ATOM 41 CB ILE A 3 -6.562 3.394 1.786 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.799 2.913 0.540 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.645 2.430 2.298 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.168 1.549 0.817 1.00 10.83 C ATOM 0 H ILE A 3 -7.762 4.858 -0.292 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.727 4.957 2.596 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.748 3.434 2.510 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.478 2.844 -0.310 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.027 3.634 0.274 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.227 1.428 2.388 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.999 2.765 3.273 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.479 2.413 1.596 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.628 1.211 -0.068 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.476 1.632 1.655 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.949 0.830 1.062 1.00 10.83 H new ATOM 56 N PHE A 4 -5.014 5.718 2.290 1.00 4.55 N ATOM 57 CA PHE A 4 -3.838 6.530 2.231 1.00 4.68 C ATOM 58 C PHE A 4 -2.654 5.629 2.319 1.00 5.30 C ATOM 59 O PHE A 4 -2.523 4.671 3.079 1.00 5.58 O ATOM 60 CB PHE A 4 -3.759 7.494 3.427 1.00 4.83 C ATOM 61 CG PHE A 4 -4.959 8.366 3.563 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.309 9.202 2.529 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.832 8.147 4.603 1.00 8.34 C ATOM 64 CE1 PHE A 4 -6.525 9.845 2.566 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.012 8.843 4.709 1.00 10.61 C ATOM 66 CZ PHE A 4 -7.321 9.699 3.678 1.00 8.90 C ATOM 0 H PHE A 4 -5.013 5.121 3.117 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.863 7.105 1.305 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.633 6.916 4.343 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.873 8.121 3.321 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.637 9.352 1.697 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.584 7.411 5.354 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -6.849 10.454 1.735 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -7.665 8.724 5.561 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.228 10.282 3.744 1.00 8.90 H new ATOM 76 N VAL A 5 -1.662 5.954 1.471 1.00 4.44 N ATOM 77 CA VAL A 5 -0.353 5.385 1.564 1.00 3.87 C ATOM 78 C VAL A 5 0.539 6.523 1.923 1.00 4.93 C ATOM 79 O VAL A 5 0.604 7.483 1.157 1.00 6.84 O ATOM 80 CB VAL A 5 0.054 4.581 0.365 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.353 3.783 0.567 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.002 3.524 0.002 1.00 9.13 C ATOM 0 H VAL A 5 -1.770 6.623 0.708 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.297 4.614 2.332 1.00 3.87 H new ATOM 0 HB VAL A 5 0.181 5.333 -0.414 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.583 3.227 -0.342 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.170 4.469 0.790 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.227 3.087 1.396 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.670 2.963 -0.871 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.138 2.842 0.841 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.948 4.017 -0.222 1.00 9.13 H new ATOM 92 N LYS A 6 1.183 6.514 3.104 1.00 6.04 N ATOM 93 CA LYS A 6 2.126 7.478 3.579 1.00 6.12 C ATOM 94 C LYS A 6 3.544 7.028 3.495 1.00 6.57 C ATOM 95 O LYS A 6 3.920 5.986 4.029 1.00 5.76 O ATOM 96 CB LYS A 6 1.904 7.939 5.029 1.00 7.45 C ATOM 97 CG LYS A 6 2.703 9.173 5.453 1.00 11.12 C ATOM 98 CD LYS A 6 2.049 9.839 6.665 1.00 14.54 C ATOM 99 CE LYS A 6 2.246 11.354 6.739 1.00 18.84 C ATOM 100 NZ LYS A 6 1.213 11.956 7.612 1.00 20.55 N ATOM 0 H LYS A 6 1.029 5.768 3.783 1.00 6.04 H new ATOM 0 HA LYS A 6 1.944 8.309 2.898 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.843 8.148 5.168 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.157 7.116 5.697 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.726 8.886 5.695 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.758 9.881 4.626 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.980 9.625 6.649 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.451 9.388 7.572 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.239 11.582 7.126 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.187 11.786 5.740 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.354 12.985 7.657 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.270 11.752 7.225 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.289 11.554 8.568 1.00 20.55 H new ATOM 114 N THR A 7 4.375 7.860 2.841 1.00 7.41 N ATOM 115 CA THR A 7 5.766 7.644 2.592 1.00 7.48 C ATOM 116 C THR A 7 6.643 7.670 3.796 1.00 8.75 C ATOM 117 O THR A 7 6.176 7.988 4.889 1.00 8.58 O ATOM 118 CB THR A 7 6.283 8.242 1.317 1.00 9.61 C ATOM 119 OG1 THR A 7 6.423 9.646 1.474 1.00 11.78 O ATOM 120 CG2 THR A 7 5.371 7.960 0.111 1.00 9.17 C ATOM 0 H THR A 7 4.049 8.748 2.459 1.00 7.41 H new ATOM 0 HA THR A 7 5.840 6.585 2.345 1.00 7.48 H new ATOM 0 HB THR A 7 7.247 7.775 1.114 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.762 10.036 0.641 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.797 8.417 -0.782 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.287 6.883 -0.038 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.382 8.379 0.297 1.00 9.17 H new ATOM 128 N LEU A 8 7.956 7.387 3.722 1.00 9.84 N ATOM 129 CA LEU A 8 8.780 7.483 4.887 1.00 14.15 C ATOM 130 C LEU A 8 9.098 8.879 5.300 1.00 17.37 C ATOM 131 O LEU A 8 8.841 9.270 6.437 1.00 17.01 O ATOM 132 CB LEU A 8 10.129 6.760 4.729 1.00 16.63 C ATOM 133 CG LEU A 8 10.128 5.251 4.434 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.537 4.802 4.014 1.00 18.59 C ATOM 135 CD2 LEU A 8 9.886 4.473 5.739 1.00 19.31 C ATOM 0 H LEU A 8 8.440 7.097 2.872 1.00 9.84 H new ATOM 0 HA LEU A 8 8.166 7.006 5.651 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.676 7.253 3.926 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.698 6.917 5.646 1.00 16.63 H new ATOM 0 HG LEU A 8 9.372 5.068 3.671 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.531 3.732 3.806 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.840 5.344 3.118 1.00 18.59 H new ATOM 0 HD13 LEU A 8 12.241 5.011 4.820 1.00 18.59 H new ATOM 0 HD21 LEU A 8 9.885 3.403 5.530 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.678 4.703 6.452 1.00 19.31 H new ATOM 0 HD23 LEU A 8 8.923 4.761 6.161 1.00 19.31 H new ATOM 147 N THR A 9 9.475 9.709 4.311 1.00 18.33 N ATOM 148 CA THR A 9 9.728 11.102 4.509 1.00 19.24 C ATOM 149 C THR A 9 8.577 11.946 4.937 1.00 19.48 C ATOM 150 O THR A 9 8.513 12.601 5.976 1.00 23.14 O ATOM 151 CB THR A 9 10.315 11.832 3.337 1.00 18.97 C ATOM 152 OG1 THR A 9 9.767 11.457 2.082 1.00 20.24 O ATOM 153 CG2 THR A 9 11.819 11.547 3.189 1.00 19.70 C ATOM 0 H THR A 9 9.607 9.403 3.347 1.00 18.33 H new ATOM 0 HA THR A 9 10.446 11.001 5.323 1.00 19.24 H new ATOM 0 HB THR A 9 10.091 12.875 3.559 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.197 11.975 1.370 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.210 12.092 2.330 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.341 11.868 4.091 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.974 10.478 3.041 1.00 19.70 H new ATOM 161 N GLY A 10 7.526 11.879 4.100 1.00 19.43 N ATOM 162 CA GLY A 10 6.313 12.525 4.494 1.00 18.74 C ATOM 163 C GLY A 10 5.457 13.013 3.375 1.00 17.62 C ATOM 164 O GLY A 10 4.988 14.149 3.356 1.00 19.74 O ATOM 0 H GLY A 10 7.510 11.404 3.197 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.730 11.830 5.098 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.563 13.371 5.134 1.00 18.74 H new ATOM 168 N LYS A 11 5.115 12.112 2.437 1.00 13.56 N ATOM 169 CA LYS A 11 4.067 12.331 1.489 1.00 11.91 C ATOM 170 C LYS A 11 2.942 11.381 1.715 1.00 10.18 C ATOM 171 O LYS A 11 3.245 10.198 1.857 1.00 9.10 O ATOM 172 CB LYS A 11 4.615 12.149 0.063 1.00 13.43 C ATOM 173 CG LYS A 11 3.632 12.501 -1.055 1.00 16.69 C ATOM 174 CD LYS A 11 4.327 12.273 -2.399 1.00 17.92 C ATOM 175 CE LYS A 11 3.454 12.825 -3.527 1.00 20.81 C ATOM 176 NZ LYS A 11 4.209 12.517 -4.763 1.00 21.93 N ATOM 0 H LYS A 11 5.578 11.209 2.335 1.00 13.56 H new ATOM 0 HA LYS A 11 3.694 13.347 1.614 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.506 12.766 -0.049 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.927 11.112 -0.061 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.737 11.883 -0.981 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.311 13.539 -0.965 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.300 12.764 -2.405 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.506 11.209 -2.552 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.471 12.355 -3.535 1.00 20.81 H new ATOM 0 HE3 LYS A 11 3.294 13.897 -3.416 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.314 13.382 -5.331 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.150 12.151 -4.513 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 3.694 11.801 -5.315 1.00 21.93 H new ATOM 190 N THR A 12 1.705 11.888 1.562 1.00 9.63 N ATOM 191 CA THR A 12 0.595 10.993 1.455 1.00 9.85 C ATOM 192 C THR A 12 0.147 10.900 0.036 1.00 11.66 C ATOM 193 O THR A 12 -0.026 11.915 -0.636 1.00 12.33 O ATOM 194 CB THR A 12 -0.470 11.593 2.325 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.152 11.371 3.691 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.807 10.868 2.098 1.00 9.63 C ATOM 0 H THR A 12 1.477 12.881 1.514 1.00 9.63 H new ATOM 0 HA THR A 12 0.841 9.978 1.768 1.00 9.85 H new ATOM 0 HB THR A 12 -0.536 12.654 2.083 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.848 11.765 4.257 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.574 11.311 2.734 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.101 10.966 1.053 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.695 9.812 2.346 1.00 9.63 H new ATOM 204 N ILE A 13 0.000 9.654 -0.447 1.00 10.42 N ATOM 205 CA ILE A 13 -0.603 9.245 -1.678 1.00 11.84 C ATOM 206 C ILE A 13 -2.004 8.862 -1.348 1.00 10.55 C ATOM 207 O ILE A 13 -2.201 7.787 -0.783 1.00 11.92 O ATOM 208 CB ILE A 13 0.127 8.068 -2.253 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.636 8.342 -2.373 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.550 7.511 -3.517 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.491 7.090 -2.565 1.00 16.46 C ATOM 0 H ILE A 13 0.340 8.851 0.082 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.569 10.045 -2.417 1.00 11.84 H new ATOM 0 HB ILE A 13 0.053 7.243 -1.544 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.805 9.015 -3.213 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.971 8.862 -1.476 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.020 6.661 -3.891 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.563 7.190 -3.276 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.587 8.287 -4.282 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.541 7.374 -2.640 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.356 6.423 -1.714 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.187 6.579 -3.478 1.00 16.46 H new ATOM 223 N THR A 14 -3.027 9.673 -1.671 1.00 9.39 N ATOM 224 CA THR A 14 -4.380 9.230 -1.537 1.00 9.63 C ATOM 225 C THR A 14 -4.865 8.366 -2.649 1.00 11.20 C ATOM 226 O THR A 14 -4.807 8.735 -3.821 1.00 11.63 O ATOM 227 CB THR A 14 -5.272 10.436 -1.556 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.996 11.389 -0.540 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.718 10.015 -1.240 1.00 11.66 C ATOM 0 H THR A 14 -2.920 10.625 -2.021 1.00 9.39 H new ATOM 0 HA THR A 14 -4.408 8.652 -0.613 1.00 9.63 H new ATOM 0 HB THR A 14 -5.112 10.866 -2.545 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.617 12.143 -0.621 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.364 10.893 -1.254 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.061 9.300 -1.988 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.755 9.553 -0.253 1.00 11.66 H new ATOM 237 N LEU A 15 -5.152 7.108 -2.269 1.00 8.29 N ATOM 238 CA LEU A 15 -5.341 6.130 -3.296 1.00 9.03 C ATOM 239 C LEU A 15 -6.677 5.471 -3.252 1.00 8.59 C ATOM 240 O LEU A 15 -7.118 5.028 -2.193 1.00 7.79 O ATOM 241 CB LEU A 15 -4.210 5.094 -3.194 1.00 11.08 C ATOM 242 CG LEU A 15 -4.087 4.205 -4.443 1.00 15.79 C ATOM 243 CD1 LEU A 15 -3.894 5.143 -5.647 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.930 3.206 -4.273 1.00 15.88 C ATOM 0 H LEU A 15 -5.249 6.779 -1.308 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.307 6.641 -4.258 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.265 5.612 -3.031 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.382 4.463 -2.322 1.00 11.08 H new ATOM 0 HG LEU A 15 -4.981 3.602 -4.600 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -3.802 4.552 -6.558 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -4.753 5.808 -5.732 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.990 5.735 -5.506 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.854 2.583 -5.164 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.997 3.751 -4.130 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.118 2.575 -3.404 1.00 15.88 H new ATOM 256 N GLU A 16 -7.349 5.361 -4.412 1.00 11.04 N ATOM 257 CA GLU A 16 -8.673 4.847 -4.579 1.00 11.50 C ATOM 258 C GLU A 16 -8.741 3.383 -4.848 1.00 10.13 C ATOM 259 O GLU A 16 -8.261 2.873 -5.859 1.00 9.83 O ATOM 260 CB GLU A 16 -9.509 5.630 -5.606 1.00 17.22 C ATOM 261 CG GLU A 16 -10.973 5.207 -5.737 1.00 23.33 C ATOM 262 CD GLU A 16 -11.849 6.183 -6.510 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.323 6.767 -7.495 1.00 28.86 O ATOM 264 OE2 GLU A 16 -13.032 6.448 -6.169 1.00 28.90 O ATOM 0 H GLU A 16 -6.935 5.653 -5.297 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.124 5.000 -3.599 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.479 6.687 -5.341 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.034 5.533 -6.582 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.014 4.235 -6.229 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.391 5.077 -4.739 1.00 23.33 H new ATOM 271 N VAL A 17 -9.285 2.570 -3.925 1.00 8.99 N ATOM 272 CA VAL A 17 -9.212 1.142 -3.952 1.00 8.85 C ATOM 273 C VAL A 17 -10.600 0.624 -3.796 1.00 8.04 C ATOM 274 O VAL A 17 -11.549 1.377 -3.581 1.00 8.99 O ATOM 275 CB VAL A 17 -8.396 0.635 -2.800 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.002 1.276 -2.908 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.942 1.029 -1.418 1.00 10.54 C ATOM 0 H VAL A 17 -9.801 2.926 -3.120 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.753 0.815 -4.885 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.404 -0.453 -2.865 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.378 0.930 -2.084 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.543 0.992 -3.855 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.096 2.361 -2.861 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.294 0.623 -0.641 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.971 2.115 -1.335 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.948 0.629 -1.297 1.00 10.54 H new ATOM 287 N GLU A 18 -10.791 -0.707 -3.815 1.00 7.29 N ATOM 288 CA GLU A 18 -12.015 -1.351 -3.449 1.00 7.08 C ATOM 289 C GLU A 18 -11.628 -2.307 -2.374 1.00 6.45 C ATOM 290 O GLU A 18 -10.416 -2.470 -2.246 1.00 5.28 O ATOM 291 CB GLU A 18 -12.635 -2.063 -4.663 1.00 10.28 C ATOM 292 CG GLU A 18 -13.433 -1.126 -5.572 1.00 12.65 C ATOM 293 CD GLU A 18 -14.859 -0.839 -5.125 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.276 -1.185 -3.987 1.00 18.17 O ATOM 295 OE2 GLU A 18 -15.516 -0.179 -5.974 1.00 14.33 O ATOM 0 H GLU A 18 -10.062 -1.362 -4.097 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.776 -0.652 -3.103 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.842 -2.533 -5.244 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.289 -2.861 -4.312 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.897 -0.180 -5.650 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.464 -1.558 -6.572 1.00 12.65 H new ATOM 302 N PRO A 19 -12.389 -2.981 -1.564 1.00 7.24 N ATOM 303 CA PRO A 19 -11.941 -3.986 -0.643 1.00 7.07 C ATOM 304 C PRO A 19 -11.342 -5.112 -1.413 1.00 6.65 C ATOM 305 O PRO A 19 -10.783 -5.996 -0.766 1.00 6.37 O ATOM 306 CB PRO A 19 -13.178 -4.359 0.171 1.00 7.61 C ATOM 307 CG PRO A 19 -14.154 -3.182 0.020 1.00 8.16 C ATOM 308 CD PRO A 19 -13.798 -2.664 -1.383 1.00 7.49 C ATOM 0 HA PRO A 19 -11.156 -3.659 0.039 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.622 -5.284 -0.196 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.922 -4.522 1.218 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.194 -3.501 0.087 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.003 -2.423 0.788 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.410 -3.144 -2.146 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.973 -1.591 -1.462 1.00 7.49 H new ATOM 316 N SER A 20 -11.533 -5.245 -2.738 1.00 6.80 N ATOM 317 CA SER A 20 -11.142 -6.434 -3.430 1.00 6.28 C ATOM 318 C SER A 20 -9.777 -6.398 -4.026 1.00 8.45 C ATOM 319 O SER A 20 -9.302 -7.439 -4.478 1.00 7.26 O ATOM 320 CB SER A 20 -12.258 -6.764 -4.436 1.00 8.57 C ATOM 321 OG SER A 20 -13.569 -6.652 -3.901 1.00 11.13 O ATOM 0 H SER A 20 -11.957 -4.530 -3.329 1.00 6.80 H new ATOM 0 HA SER A 20 -11.037 -7.245 -2.709 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.169 -6.098 -5.294 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.112 -7.779 -4.805 1.00 8.57 H new ATOM 0 HG SER A 20 -14.225 -6.874 -4.594 1.00 11.13 H new ATOM 327 N ASP A 21 -9.101 -5.241 -3.914 1.00 7.50 N ATOM 328 CA ASP A 21 -7.785 -5.000 -4.417 1.00 7.70 C ATOM 329 C ASP A 21 -6.805 -5.731 -3.565 1.00 7.08 C ATOM 330 O ASP A 21 -6.963 -5.852 -2.351 1.00 8.11 O ATOM 331 CB ASP A 21 -7.492 -3.494 -4.513 1.00 11.00 C ATOM 332 CG ASP A 21 -8.322 -2.885 -5.635 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.335 -3.459 -6.756 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.959 -1.827 -5.388 1.00 14.36 O ATOM 0 H ASP A 21 -9.497 -4.427 -3.445 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.699 -5.379 -5.435 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.727 -3.006 -3.567 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.431 -3.331 -4.701 1.00 11.00 H new ATOM 339 N THR A 22 -5.782 -6.274 -4.250 1.00 5.37 N ATOM 340 CA THR A 22 -4.668 -7.011 -3.741 1.00 6.01 C ATOM 341 C THR A 22 -3.659 -5.971 -3.394 1.00 8.01 C ATOM 342 O THR A 22 -3.764 -4.847 -3.883 1.00 8.11 O ATOM 343 CB THR A 22 -4.123 -7.913 -4.808 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.757 -7.365 -6.065 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.273 -8.881 -5.135 1.00 9.65 C ATOM 0 H THR A 22 -5.734 -6.186 -5.265 1.00 5.37 H new ATOM 0 HA THR A 22 -4.935 -7.636 -2.889 1.00 6.01 H new ATOM 0 HB THR A 22 -3.196 -8.302 -4.388 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.420 -8.078 -6.647 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.953 -9.577 -5.911 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.546 -9.437 -4.238 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.135 -8.315 -5.488 1.00 9.65 H new ATOM 353 N ILE A 23 -2.682 -6.322 -2.538 1.00 8.32 N ATOM 354 CA ILE A 23 -1.610 -5.464 -2.137 1.00 9.92 C ATOM 355 C ILE A 23 -0.646 -5.189 -3.239 1.00 10.01 C ATOM 356 O ILE A 23 0.064 -4.185 -3.263 1.00 8.71 O ATOM 357 CB ILE A 23 -0.956 -6.017 -0.906 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.943 -6.387 0.215 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.061 -4.989 -0.382 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.755 -5.285 0.893 1.00 12.30 C ATOM 0 H ILE A 23 -2.638 -7.245 -2.106 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.026 -4.487 -1.889 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.469 -6.948 -1.196 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.650 -7.108 -0.196 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.378 -6.902 0.992 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.544 -5.379 0.514 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.814 -4.800 -1.147 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.453 -4.059 -0.141 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.397 -5.724 1.657 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.078 -4.567 1.356 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.370 -4.777 0.150 1.00 12.30 H new ATOM 372 N GLU A 24 -0.525 -6.180 -4.140 1.00 9.54 N ATOM 373 CA GLU A 24 0.270 -6.211 -5.329 1.00 11.81 C ATOM 374 C GLU A 24 -0.227 -5.212 -6.316 1.00 11.14 C ATOM 375 O GLU A 24 0.596 -4.578 -6.975 1.00 10.62 O ATOM 376 CB GLU A 24 0.316 -7.648 -5.876 1.00 19.24 C ATOM 377 CG GLU A 24 1.364 -7.792 -6.981 1.00 27.76 C ATOM 378 CD GLU A 24 1.439 -9.222 -7.497 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.587 -10.220 -6.743 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.351 -9.376 -8.745 1.00 34.80 O ATOM 0 H GLU A 24 -1.041 -7.052 -4.020 1.00 9.54 H new ATOM 0 HA GLU A 24 1.297 -5.922 -5.105 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.543 -8.340 -5.065 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.665 -7.922 -6.265 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.121 -7.120 -7.804 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.340 -7.490 -6.600 1.00 27.76 H new ATOM 387 N ASN A 25 -1.555 -5.083 -6.486 1.00 9.43 N ATOM 388 CA ASN A 25 -2.199 -4.179 -7.388 1.00 10.96 C ATOM 389 C ASN A 25 -1.902 -2.813 -6.871 1.00 9.68 C ATOM 390 O ASN A 25 -1.677 -1.878 -7.638 1.00 9.33 O ATOM 391 CB ASN A 25 -3.698 -4.478 -7.552 1.00 16.78 C ATOM 392 CG ASN A 25 -4.438 -3.634 -8.580 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.847 -2.550 -8.167 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.605 -4.131 -9.835 1.00 24.70 N ATOM 0 H ASN A 25 -2.221 -5.647 -5.959 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.819 -4.284 -8.404 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.811 -5.528 -7.823 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.183 -4.345 -6.585 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.111 -3.589 -10.535 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.224 -5.046 -10.076 1.00 24.70 H new ATOM 401 N VAL A 26 -1.996 -2.599 -5.546 1.00 6.52 N ATOM 402 CA VAL A 26 -1.787 -1.350 -4.882 1.00 5.53 C ATOM 403 C VAL A 26 -0.404 -0.813 -5.022 1.00 4.42 C ATOM 404 O VAL A 26 -0.187 0.387 -5.184 1.00 3.40 O ATOM 405 CB VAL A 26 -2.319 -1.467 -3.484 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.718 -0.460 -2.488 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.851 -1.343 -3.538 1.00 8.12 C ATOM 0 H VAL A 26 -2.234 -3.349 -4.897 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.355 -0.564 -5.379 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.018 -2.442 -3.101 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.158 -0.615 -1.503 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.639 -0.605 -2.430 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.930 0.555 -2.824 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.258 -1.426 -2.530 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.123 -0.376 -3.961 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.259 -2.139 -4.161 1.00 8.12 H new ATOM 417 N LYS A 27 0.599 -1.687 -4.824 1.00 2.64 N ATOM 418 CA LYS A 27 1.985 -1.423 -5.055 1.00 4.14 C ATOM 419 C LYS A 27 2.275 -1.007 -6.456 1.00 5.58 C ATOM 420 O LYS A 27 3.067 -0.121 -6.772 1.00 4.11 O ATOM 421 CB LYS A 27 2.898 -2.642 -4.837 1.00 3.97 C ATOM 422 CG LYS A 27 3.014 -2.966 -3.347 1.00 7.45 C ATOM 423 CD LYS A 27 3.913 -4.163 -3.028 1.00 9.02 C ATOM 424 CE LYS A 27 3.776 -4.751 -1.622 1.00 12.90 C ATOM 425 NZ LYS A 27 4.796 -5.815 -1.486 1.00 15.47 N ATOM 0 H LYS A 27 0.432 -2.633 -4.483 1.00 2.64 H new ATOM 0 HA LYS A 27 2.190 -0.632 -4.333 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.498 -3.503 -5.372 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.887 -2.441 -5.249 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.399 -2.089 -2.826 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.017 -3.160 -2.951 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.705 -4.951 -3.751 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.950 -3.862 -3.175 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.924 -3.979 -0.867 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.776 -5.157 -1.471 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.732 -6.239 -0.538 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.631 -6.548 -2.205 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.743 -5.407 -1.619 1.00 15.47 H new ATOM 439 N ALA A 28 1.479 -1.580 -7.376 1.00 6.61 N ATOM 440 CA ALA A 28 1.621 -1.274 -8.766 1.00 7.74 C ATOM 441 C ALA A 28 1.109 0.060 -9.189 1.00 9.17 C ATOM 442 O ALA A 28 1.650 0.629 -10.136 1.00 11.45 O ATOM 443 CB ALA A 28 0.947 -2.379 -9.597 1.00 7.68 C ATOM 0 H ALA A 28 0.742 -2.251 -7.160 1.00 6.61 H new ATOM 0 HA ALA A 28 2.695 -1.229 -8.946 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.052 -2.152 -10.658 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.422 -3.336 -9.383 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.111 -2.433 -9.340 1.00 7.68 H new ATOM 449 N LYS A 29 0.118 0.607 -8.462 1.00 8.96 N ATOM 450 CA LYS A 29 -0.222 1.957 -8.788 1.00 7.90 C ATOM 451 C LYS A 29 0.786 2.931 -8.283 1.00 6.92 C ATOM 452 O LYS A 29 1.005 4.012 -8.828 1.00 6.87 O ATOM 453 CB LYS A 29 -1.643 2.467 -8.495 1.00 10.28 C ATOM 454 CG LYS A 29 -2.598 1.648 -9.366 1.00 14.94 C ATOM 455 CD LYS A 29 -4.065 1.772 -8.952 1.00 19.69 C ATOM 456 CE LYS A 29 -5.192 1.145 -9.777 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.029 -0.323 -9.682 1.00 24.98 N ATOM 0 H LYS A 29 -0.409 0.162 -7.711 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.208 1.898 -9.876 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.886 2.348 -7.439 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.727 3.529 -8.724 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.494 1.967 -10.403 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.305 0.599 -9.324 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.144 1.361 -7.946 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.283 2.837 -8.879 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.166 1.451 -9.395 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.139 1.473 -10.815 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.816 -0.792 -10.174 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.129 -0.602 -10.123 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.027 -0.608 -8.682 1.00 24.98 H new ATOM 471 N ILE A 30 1.431 2.625 -7.143 1.00 4.57 N ATOM 472 CA ILE A 30 2.488 3.420 -6.599 1.00 5.58 C ATOM 473 C ILE A 30 3.727 3.532 -7.419 1.00 7.26 C ATOM 474 O ILE A 30 4.399 4.554 -7.542 1.00 9.46 O ATOM 475 CB ILE A 30 2.776 3.017 -5.184 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.494 3.184 -4.351 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.850 3.945 -4.589 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.570 2.524 -2.975 1.00 2.00 C ATOM 0 H ILE A 30 1.211 1.801 -6.584 1.00 4.57 H new ATOM 0 HA ILE A 30 2.101 4.439 -6.617 1.00 5.58 H new ATOM 0 HB ILE A 30 3.122 1.983 -5.168 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.289 4.247 -4.224 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.654 2.761 -4.902 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.057 3.649 -3.560 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.763 3.870 -5.179 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.491 4.974 -4.606 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.632 2.682 -2.443 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.744 1.455 -3.094 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.388 2.964 -2.405 1.00 2.00 H new ATOM 490 N GLN A 31 4.010 2.410 -8.105 1.00 7.06 N ATOM 491 CA GLN A 31 4.952 2.337 -9.178 1.00 8.67 C ATOM 492 C GLN A 31 4.588 3.190 -10.345 1.00 10.90 C ATOM 493 O GLN A 31 5.473 3.770 -10.971 1.00 9.63 O ATOM 494 CB GLN A 31 5.112 0.894 -9.685 1.00 9.12 C ATOM 495 CG GLN A 31 6.127 0.729 -10.817 1.00 10.76 C ATOM 496 CD GLN A 31 6.164 -0.741 -11.210 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.391 -1.576 -10.743 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.063 -1.052 -12.181 1.00 14.76 N ATOM 0 H GLN A 31 3.563 1.516 -7.903 1.00 7.06 H new ATOM 0 HA GLN A 31 5.886 2.705 -8.755 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.411 0.260 -8.850 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.142 0.533 -10.028 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.847 1.344 -11.672 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.114 1.062 -10.495 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.689 -0.334 -12.545 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.111 -2.003 -12.545 1.00 14.76 H new ATOM 507 N ASP A 32 3.313 3.250 -10.768 1.00 10.93 N ATOM 508 CA ASP A 32 2.930 4.045 -11.893 1.00 14.01 C ATOM 509 C ASP A 32 2.951 5.507 -11.606 1.00 14.04 C ATOM 510 O ASP A 32 3.579 6.276 -12.333 1.00 13.39 O ATOM 511 CB ASP A 32 1.579 3.476 -12.357 1.00 18.01 C ATOM 512 CG ASP A 32 1.300 3.862 -13.803 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.889 3.215 -14.710 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.663 4.910 -14.089 1.00 25.17 O ATOM 0 H ASP A 32 2.544 2.745 -10.328 1.00 10.93 H new ATOM 0 HA ASP A 32 3.649 3.979 -12.710 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.583 2.390 -12.260 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.781 3.850 -11.715 1.00 18.01 H new ATOM 519 N LYS A 33 2.362 5.989 -10.497 1.00 14.22 N ATOM 520 CA LYS A 33 2.477 7.369 -10.140 1.00 14.00 C ATOM 521 C LYS A 33 3.877 7.819 -9.901 1.00 12.37 C ATOM 522 O LYS A 33 4.509 8.566 -10.646 1.00 12.17 O ATOM 523 CB LYS A 33 1.668 7.605 -8.853 1.00 18.62 C ATOM 524 CG LYS A 33 0.178 7.818 -9.125 1.00 24.00 C ATOM 525 CD LYS A 33 -0.742 7.760 -7.903 1.00 27.61 C ATOM 526 CE LYS A 33 -2.264 7.842 -8.029 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.685 9.012 -8.832 1.00 30.06 N ATOM 0 H LYS A 33 1.809 5.427 -9.850 1.00 14.22 H new ATOM 0 HA LYS A 33 2.100 7.945 -10.985 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.794 6.751 -8.188 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.067 8.476 -8.332 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.052 8.789 -9.604 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.152 7.064 -9.840 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.519 6.826 -7.386 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.437 8.571 -7.242 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.641 6.929 -8.491 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.709 7.903 -7.036 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.723 9.034 -8.895 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.347 9.884 -8.378 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.281 8.940 -9.788 1.00 30.06 H new ATOM 541 N GLU A 34 4.518 7.306 -8.836 1.00 10.11 N ATOM 542 CA GLU A 34 5.696 7.870 -8.254 1.00 10.07 C ATOM 543 C GLU A 34 6.926 7.359 -8.922 1.00 9.32 C ATOM 544 O GLU A 34 7.996 7.965 -8.894 1.00 11.61 O ATOM 545 CB GLU A 34 5.815 7.458 -6.776 1.00 14.77 C ATOM 546 CG GLU A 34 4.724 7.896 -5.797 1.00 18.75 C ATOM 547 CD GLU A 34 4.645 9.404 -5.607 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.610 10.057 -5.126 1.00 25.19 O ATOM 549 OE2 GLU A 34 3.571 9.976 -5.933 1.00 21.95 O ATOM 0 H GLU A 34 4.201 6.461 -8.360 1.00 10.11 H new ATOM 0 HA GLU A 34 5.611 8.951 -8.367 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.872 6.370 -6.741 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.765 7.840 -6.403 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.760 7.532 -6.154 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.905 7.425 -4.831 1.00 18.75 H new ATOM 556 N GLY A 35 6.824 6.145 -9.491 1.00 7.22 N ATOM 557 CA GLY A 35 7.969 5.571 -10.128 1.00 6.29 C ATOM 558 C GLY A 35 8.709 4.593 -9.282 1.00 6.93 C ATOM 559 O GLY A 35 9.829 4.180 -9.580 1.00 7.41 O ATOM 0 H GLY A 35 5.978 5.576 -9.512 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.651 5.075 -11.045 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.649 6.372 -10.419 1.00 6.29 H new ATOM 563 N ILE A 36 8.168 4.146 -8.134 1.00 5.86 N ATOM 564 CA ILE A 36 8.894 3.403 -7.152 1.00 6.07 C ATOM 565 C ILE A 36 9.001 1.963 -7.522 1.00 6.36 C ATOM 566 O ILE A 36 7.958 1.400 -7.848 1.00 6.18 O ATOM 567 CB ILE A 36 8.271 3.511 -5.792 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.152 4.988 -5.382 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.124 2.815 -4.718 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.565 5.230 -3.992 1.00 9.49 C ATOM 0 H ILE A 36 7.193 4.307 -7.882 1.00 5.86 H new ATOM 0 HA ILE A 36 9.891 3.841 -7.119 1.00 6.07 H new ATOM 0 HB ILE A 36 7.293 3.033 -5.856 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.142 5.442 -5.425 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.533 5.504 -6.116 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.639 2.915 -3.747 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.228 1.758 -4.964 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.110 3.277 -4.681 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.522 6.301 -3.797 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.559 4.812 -3.944 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.194 4.749 -3.243 1.00 9.49 H new ATOM 582 N PRO A 37 10.065 1.216 -7.541 1.00 8.65 N ATOM 583 CA PRO A 37 10.037 -0.069 -8.176 1.00 9.18 C ATOM 584 C PRO A 37 9.294 -1.094 -7.388 1.00 9.85 C ATOM 585 O PRO A 37 9.410 -0.925 -6.176 1.00 8.51 O ATOM 586 CB PRO A 37 11.503 -0.404 -8.437 1.00 11.42 C ATOM 587 CG PRO A 37 12.118 0.989 -8.650 1.00 9.27 C ATOM 588 CD PRO A 37 11.430 1.715 -7.482 1.00 8.33 C ATOM 0 HA PRO A 37 9.475 -0.057 -9.110 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.958 -0.926 -7.595 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.626 -1.042 -9.312 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.205 0.990 -8.569 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.871 1.418 -9.621 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.903 1.482 -6.528 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.469 2.798 -7.601 1.00 8.33 H new ATOM 596 N PRO A 38 8.626 -2.062 -7.941 1.00 8.71 N ATOM 597 CA PRO A 38 7.846 -2.948 -7.127 1.00 9.08 C ATOM 598 C PRO A 38 8.670 -3.909 -6.341 1.00 9.28 C ATOM 599 O PRO A 38 8.146 -4.543 -5.427 1.00 6.50 O ATOM 600 CB PRO A 38 6.980 -3.652 -8.168 1.00 10.31 C ATOM 601 CG PRO A 38 7.835 -3.735 -9.443 1.00 10.81 C ATOM 602 CD PRO A 38 8.716 -2.480 -9.332 1.00 12.00 C ATOM 0 HA PRO A 38 7.280 -2.426 -6.355 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.690 -4.646 -7.827 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.060 -3.097 -8.350 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.430 -4.648 -9.474 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.222 -3.723 -10.344 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.747 -2.699 -9.610 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.365 -1.694 -10.001 1.00 12.00 H new ATOM 610 N ASP A 39 9.962 -4.182 -6.601 1.00 11.20 N ATOM 611 CA ASP A 39 10.836 -4.827 -5.672 1.00 14.96 C ATOM 612 C ASP A 39 11.196 -4.102 -4.421 1.00 13.99 C ATOM 613 O ASP A 39 11.483 -4.808 -3.455 1.00 13.75 O ATOM 614 CB ASP A 39 12.060 -5.262 -6.495 1.00 24.16 C ATOM 615 CG ASP A 39 12.711 -4.200 -7.370 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.084 -3.859 -8.409 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.795 -3.678 -6.996 1.00 35.55 O ATOM 0 H ASP A 39 10.412 -3.946 -7.486 1.00 11.20 H new ATOM 0 HA ASP A 39 10.292 -5.663 -5.231 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.814 -5.644 -5.807 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.762 -6.093 -7.134 1.00 24.16 H new ATOM 622 N GLN A 40 11.261 -2.759 -4.410 1.00 11.60 N ATOM 623 CA GLN A 40 11.553 -1.971 -3.253 1.00 10.76 C ATOM 624 C GLN A 40 10.411 -1.871 -2.302 1.00 8.01 C ATOM 625 O GLN A 40 10.658 -1.616 -1.124 1.00 8.96 O ATOM 626 CB GLN A 40 12.210 -0.627 -3.612 1.00 11.14 C ATOM 627 CG GLN A 40 13.499 -0.651 -4.436 1.00 14.85 C ATOM 628 CD GLN A 40 14.067 0.723 -4.762 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.837 1.690 -4.037 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.961 0.796 -5.784 1.00 18.16 N ATOM 0 H GLN A 40 11.103 -2.197 -5.246 1.00 11.60 H new ATOM 0 HA GLN A 40 12.311 -2.514 -2.690 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.477 -0.033 -4.158 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.419 -0.099 -2.681 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.252 -1.221 -3.892 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.309 -1.182 -5.369 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.133 -0.021 -6.370 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.459 1.667 -5.964 1.00 18.16 H new ATOM 639 N GLN A 41 9.166 -2.099 -2.759 1.00 6.52 N ATOM 640 CA GLN A 41 8.009 -1.640 -2.055 1.00 3.87 C ATOM 641 C GLN A 41 7.616 -2.583 -0.970 1.00 4.79 C ATOM 642 O GLN A 41 7.197 -3.680 -1.336 1.00 6.34 O ATOM 643 CB GLN A 41 6.793 -1.438 -2.973 1.00 4.20 C ATOM 644 CG GLN A 41 6.903 -0.088 -3.684 1.00 3.20 C ATOM 645 CD GLN A 41 5.659 0.112 -4.537 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.617 0.376 -3.939 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.733 -0.024 -5.889 1.00 7.13 N ATOM 0 H GLN A 41 8.961 -2.604 -3.621 1.00 6.52 H new ATOM 0 HA GLN A 41 8.297 -0.678 -1.632 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.741 -2.243 -3.706 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.874 -1.479 -2.389 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.996 0.717 -2.955 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.797 -0.060 -4.306 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.625 -0.244 -6.331 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.896 0.094 -6.460 1.00 7.13 H new ATOM 656 N ARG A 42 7.675 -2.215 0.323 1.00 5.73 N ATOM 657 CA ARG A 42 7.063 -2.878 1.432 1.00 6.97 C ATOM 658 C ARG A 42 6.078 -2.043 2.176 1.00 7.15 C ATOM 659 O ARG A 42 6.328 -0.979 2.740 1.00 7.33 O ATOM 660 CB ARG A 42 8.185 -3.315 2.389 1.00 13.23 C ATOM 661 CG ARG A 42 7.862 -3.709 3.832 1.00 21.27 C ATOM 662 CD ARG A 42 9.082 -4.177 4.627 1.00 26.14 C ATOM 663 NE ARG A 42 9.444 -5.559 4.204 1.00 32.26 N ATOM 664 CZ ARG A 42 10.489 -6.319 4.642 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.437 -5.636 5.348 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.582 -7.674 4.510 1.00 36.39 N ATOM 0 H ARG A 42 8.193 -1.386 0.614 1.00 5.73 H new ATOM 0 HA ARG A 42 6.497 -3.722 1.038 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.689 -4.165 1.928 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.908 -2.500 2.432 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.413 -2.856 4.341 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.117 -4.504 3.824 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.921 -3.501 4.459 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.865 -4.156 5.695 1.00 26.14 H new ATOM 0 HE ARG A 42 8.839 -5.988 3.504 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.329 -4.635 5.510 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.253 -6.127 5.713 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.833 -8.195 4.054 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.401 -8.166 4.867 1.00 36.39 H new ATOM 680 N LEU A 43 4.805 -2.427 1.974 1.00 4.65 N ATOM 681 CA LEU A 43 3.735 -1.741 2.628 1.00 3.51 C ATOM 682 C LEU A 43 3.484 -2.369 3.956 1.00 5.56 C ATOM 683 O LEU A 43 3.359 -3.578 4.148 1.00 4.19 O ATOM 684 CB LEU A 43 2.424 -1.848 1.832 1.00 3.74 C ATOM 685 CG LEU A 43 2.349 -0.970 0.571 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.541 -1.464 -0.640 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.060 0.512 0.866 1.00 9.55 C ATOM 0 H LEU A 43 4.520 -3.198 1.370 1.00 4.65 H new ATOM 0 HA LEU A 43 4.029 -0.695 2.719 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.279 -2.888 1.540 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.596 -1.583 2.489 1.00 3.74 H new ATOM 0 HG LEU A 43 3.377 -1.080 0.225 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.594 -0.725 -1.439 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.954 -2.409 -0.992 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.501 -1.609 -0.349 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.022 1.069 -0.070 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.103 0.601 1.380 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.850 0.918 1.497 1.00 9.55 H new ATOM 699 N ILE A 44 3.427 -1.529 5.005 1.00 4.58 N ATOM 700 CA ILE A 44 3.135 -1.948 6.340 1.00 5.55 C ATOM 701 C ILE A 44 1.860 -1.274 6.713 1.00 5.46 C ATOM 702 O ILE A 44 1.685 -0.095 6.408 1.00 6.04 O ATOM 703 CB ILE A 44 4.219 -1.554 7.300 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.083 -2.824 7.377 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.835 -1.148 8.732 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.484 -2.491 7.889 1.00 13.90 C ATOM 0 H ILE A 44 3.589 -0.526 4.921 1.00 4.58 H new ATOM 0 HA ILE A 44 3.059 -3.034 6.387 1.00 5.55 H new ATOM 0 HB ILE A 44 4.674 -0.639 6.921 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.612 -3.551 8.038 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.150 -3.285 6.392 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.735 -0.894 9.292 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.172 -0.284 8.700 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.326 -1.978 9.221 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.080 -3.402 7.936 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.960 -1.781 7.212 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.413 -2.052 8.884 1.00 13.90 H new ATOM 718 N PHE A 45 0.960 -1.989 7.412 1.00 6.75 N ATOM 719 CA PHE A 45 -0.215 -1.365 7.935 1.00 4.70 C ATOM 720 C PHE A 45 -0.261 -1.674 9.392 1.00 6.34 C ATOM 721 O PHE A 45 -0.389 -2.850 9.728 1.00 5.45 O ATOM 722 CB PHE A 45 -1.475 -1.833 7.186 1.00 5.51 C ATOM 723 CG PHE A 45 -2.698 -1.114 7.641 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.712 0.260 7.687 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.725 -1.847 8.188 1.00 5.87 C ATOM 726 CE1 PHE A 45 -3.810 0.890 8.223 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.802 -1.147 8.678 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.926 0.223 8.670 1.00 6.84 C ATOM 0 H PHE A 45 1.044 -2.986 7.613 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.183 -0.285 7.792 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.339 -1.675 6.116 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.608 -2.904 7.336 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -1.878 0.833 7.310 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.687 -2.925 8.231 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -3.795 1.967 8.297 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.615 -1.718 9.103 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.824 0.732 8.988 1.00 6.84 H new ATOM 738 N ALA A 46 -0.083 -0.662 10.260 1.00 6.53 N ATOM 739 CA ALA A 46 0.015 -0.783 11.682 1.00 7.15 C ATOM 740 C ALA A 46 1.389 -1.185 12.095 1.00 9.00 C ATOM 741 O ALA A 46 2.248 -0.362 12.407 1.00 11.15 O ATOM 742 CB ALA A 46 -1.088 -1.598 12.378 1.00 8.99 C ATOM 0 H ALA A 46 -0.002 0.305 9.947 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.177 0.223 12.054 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.904 -1.617 13.452 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.057 -1.138 12.184 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.086 -2.617 11.992 1.00 8.99 H new ATOM 748 N GLY A 47 1.662 -2.501 12.140 1.00 9.35 N ATOM 749 CA GLY A 47 2.980 -2.991 12.400 1.00 11.68 C ATOM 750 C GLY A 47 3.202 -4.444 12.153 1.00 11.14 C ATOM 751 O GLY A 47 3.909 -5.133 12.887 1.00 13.93 O ATOM 0 H GLY A 47 0.964 -3.231 11.995 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.682 -2.428 11.786 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.225 -2.779 13.441 1.00 11.68 H new ATOM 755 N LYS A 48 2.650 -4.889 11.011 1.00 10.47 N ATOM 756 CA LYS A 48 2.912 -6.115 10.322 1.00 8.82 C ATOM 757 C LYS A 48 2.942 -5.914 8.846 1.00 7.68 C ATOM 758 O LYS A 48 2.353 -4.983 8.300 1.00 6.47 O ATOM 759 CB LYS A 48 1.854 -7.168 10.693 1.00 9.74 C ATOM 760 CG LYS A 48 0.456 -6.787 10.199 1.00 14.14 C ATOM 761 CD LYS A 48 -0.717 -7.650 10.668 1.00 16.32 C ATOM 762 CE LYS A 48 -1.093 -8.902 9.872 1.00 20.04 C ATOM 763 NZ LYS A 48 -0.071 -9.969 9.947 1.00 23.92 N ATOM 0 H LYS A 48 1.949 -4.332 10.522 1.00 10.47 H new ATOM 0 HA LYS A 48 3.895 -6.470 10.631 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.138 -8.130 10.267 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.833 -7.293 11.776 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.260 -5.759 10.503 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.469 -6.800 9.109 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.504 -7.964 11.690 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.599 -7.010 10.708 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.042 -9.290 10.244 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.247 -8.628 8.828 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -0.420 -10.819 9.460 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 0.805 -9.643 9.491 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 0.122 -10.196 10.944 1.00 23.92 H new ATOM 777 N GLN A 49 3.646 -6.779 8.094 1.00 8.89 N ATOM 778 CA GLN A 49 3.792 -6.632 6.679 1.00 7.18 C ATOM 779 C GLN A 49 2.593 -7.119 5.942 1.00 8.23 C ATOM 780 O GLN A 49 2.146 -8.249 6.136 1.00 9.70 O ATOM 781 CB GLN A 49 5.155 -7.141 6.181 1.00 11.67 C ATOM 782 CG GLN A 49 5.305 -7.131 4.659 1.00 15.82 C ATOM 783 CD GLN A 49 6.594 -7.789 4.187 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.284 -7.183 3.368 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.878 -9.037 4.645 1.00 20.67 N ATOM 0 H GLN A 49 4.123 -7.596 8.476 1.00 8.89 H new ATOM 0 HA GLN A 49 3.821 -5.569 6.440 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.942 -6.526 6.617 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.306 -8.158 6.544 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.455 -7.646 4.212 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.277 -6.101 4.303 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.263 -9.483 5.325 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.707 -9.527 4.308 1.00 20.67 H new ATOM 794 N LEU A 50 2.023 -6.327 5.016 1.00 6.51 N ATOM 795 CA LEU A 50 0.968 -6.771 4.159 1.00 7.41 C ATOM 796 C LEU A 50 1.537 -7.488 2.983 1.00 8.27 C ATOM 797 O LEU A 50 2.328 -6.885 2.259 1.00 8.34 O ATOM 798 CB LEU A 50 0.209 -5.623 3.473 1.00 7.13 C ATOM 799 CG LEU A 50 -0.512 -4.661 4.431 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.184 -3.518 3.652 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.599 -5.344 5.278 1.00 8.14 C ATOM 0 H LEU A 50 2.301 -5.358 4.860 1.00 6.51 H new ATOM 0 HA LEU A 50 0.325 -7.362 4.812 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.913 -5.051 2.869 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.525 -6.049 2.789 1.00 7.13 H new ATOM 0 HG LEU A 50 0.264 -4.285 5.097 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.688 -2.849 4.350 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.428 -2.961 3.098 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.913 -3.932 2.955 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.067 -4.608 5.931 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.353 -5.778 4.621 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.148 -6.131 5.883 1.00 8.14 H new ATOM 813 N GLU A 51 1.188 -8.763 2.736 1.00 9.43 N ATOM 814 CA GLU A 51 1.841 -9.612 1.788 1.00 11.90 C ATOM 815 C GLU A 51 1.002 -9.593 0.557 1.00 11.49 C ATOM 816 O GLU A 51 -0.210 -9.384 0.597 1.00 9.88 O ATOM 817 CB GLU A 51 2.110 -11.022 2.339 1.00 16.56 C ATOM 818 CG GLU A 51 3.076 -10.950 3.523 1.00 26.06 C ATOM 819 CD GLU A 51 3.581 -12.345 3.862 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.269 -13.340 3.155 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.313 -12.539 4.869 1.00 33.44 O ATOM 0 H GLU A 51 0.416 -9.223 3.219 1.00 9.43 H new ATOM 0 HA GLU A 51 2.841 -9.244 1.557 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.173 -11.483 2.652 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.530 -11.653 1.555 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.915 -10.298 3.280 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.574 -10.515 4.387 1.00 26.06 H new ATOM 828 N ASP A 52 1.643 -9.858 -0.595 1.00 12.71 N ATOM 829 CA ASP A 52 1.120 -9.541 -1.888 1.00 16.56 C ATOM 830 C ASP A 52 -0.064 -10.315 -2.354 1.00 15.83 C ATOM 831 O ASP A 52 -0.880 -9.749 -3.081 1.00 17.21 O ATOM 832 CB ASP A 52 2.328 -9.722 -2.823 1.00 21.05 C ATOM 833 CG ASP A 52 3.445 -8.766 -2.432 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.397 -7.590 -2.884 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.393 -9.275 -1.777 1.00 28.37 O ATOM 0 H ASP A 52 2.557 -10.309 -0.628 1.00 12.71 H new ATOM 0 HA ASP A 52 0.703 -8.534 -1.868 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.685 -10.750 -2.772 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.028 -9.540 -3.855 1.00 21.05 H new ATOM 840 N GLY A 53 -0.238 -11.596 -1.984 1.00 15.00 N ATOM 841 CA GLY A 53 -1.234 -12.435 -2.575 1.00 11.77 C ATOM 842 C GLY A 53 -2.485 -12.473 -1.767 1.00 11.10 C ATOM 843 O GLY A 53 -3.288 -13.395 -1.902 1.00 11.25 O ATOM 0 H GLY A 53 0.320 -12.056 -1.265 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.462 -12.075 -3.578 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.840 -13.446 -2.680 1.00 11.77 H new ATOM 847 N ARG A 54 -2.739 -11.471 -0.908 1.00 8.53 N ATOM 848 CA ARG A 54 -4.041 -11.263 -0.354 1.00 9.05 C ATOM 849 C ARG A 54 -4.644 -9.947 -0.709 1.00 8.96 C ATOM 850 O ARG A 54 -4.067 -9.170 -1.468 1.00 11.60 O ATOM 851 CB ARG A 54 -3.994 -11.258 1.183 1.00 7.97 C ATOM 852 CG ARG A 54 -3.645 -12.674 1.645 1.00 9.62 C ATOM 853 CD ARG A 54 -3.310 -12.745 3.136 1.00 12.20 C ATOM 854 NE ARG A 54 -3.109 -14.154 3.579 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.611 -14.312 4.840 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.916 -13.527 5.915 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.765 -15.347 5.115 1.00 25.50 N ATOM 0 H ARG A 54 -2.038 -10.800 -0.595 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.633 -12.080 -0.767 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.250 -10.546 1.540 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.955 -10.948 1.594 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.484 -13.337 1.434 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.796 -13.040 1.068 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.408 -12.166 3.336 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.115 -12.291 3.714 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.329 -14.949 2.979 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.565 -12.748 5.809 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -2.494 -13.720 6.823 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.505 -16.003 4.378 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.393 -15.465 6.057 1.00 25.50 H new ATOM 871 N THR A 55 -5.864 -9.723 -0.191 1.00 9.05 N ATOM 872 CA THR A 55 -6.636 -8.529 -0.347 1.00 9.03 C ATOM 873 C THR A 55 -6.807 -7.638 0.835 1.00 8.15 C ATOM 874 O THR A 55 -6.450 -7.889 1.985 1.00 5.91 O ATOM 875 CB THR A 55 -7.989 -8.757 -0.954 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.827 -9.522 -0.100 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.786 -9.546 -2.258 1.00 11.71 C ATOM 0 H THR A 55 -6.343 -10.423 0.375 1.00 9.05 H new ATOM 0 HA THR A 55 -5.979 -7.994 -1.033 1.00 9.03 H new ATOM 0 HB THR A 55 -8.465 -7.791 -1.123 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.421 -10.400 0.056 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.753 -9.729 -2.727 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.157 -8.971 -2.937 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.304 -10.498 -2.036 1.00 11.71 H new ATOM 885 N LEU A 56 -7.480 -6.505 0.567 1.00 6.91 N ATOM 886 CA LEU A 56 -7.823 -5.555 1.580 1.00 8.29 C ATOM 887 C LEU A 56 -8.888 -6.039 2.503 1.00 8.05 C ATOM 888 O LEU A 56 -8.961 -5.634 3.662 1.00 10.17 O ATOM 889 CB LEU A 56 -8.173 -4.141 1.088 1.00 6.60 C ATOM 890 CG LEU A 56 -7.070 -3.382 0.331 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.568 -2.119 -0.393 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.837 -3.099 1.205 1.00 9.85 C ATOM 0 H LEU A 56 -7.791 -6.244 -0.368 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.884 -5.462 2.126 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.045 -4.213 0.438 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.467 -3.543 1.951 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.751 -4.065 -0.457 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.733 -1.639 -0.903 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.329 -2.394 -1.123 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.995 -1.428 0.334 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.091 -2.562 0.619 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.130 -2.493 2.063 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.414 -4.041 1.554 1.00 9.85 H new ATOM 904 N SER A 57 -9.823 -6.811 1.921 1.00 8.92 N ATOM 905 CA SER A 57 -10.783 -7.636 2.585 1.00 9.00 C ATOM 906 C SER A 57 -10.175 -8.649 3.493 1.00 9.44 C ATOM 907 O SER A 57 -10.624 -8.862 4.618 1.00 10.91 O ATOM 908 CB SER A 57 -11.779 -8.265 1.596 1.00 10.32 C ATOM 909 OG SER A 57 -13.010 -8.628 2.203 1.00 13.59 O ATOM 0 H SER A 57 -9.913 -6.861 0.906 1.00 8.92 H new ATOM 0 HA SER A 57 -11.347 -6.968 3.236 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.973 -7.561 0.787 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.327 -9.149 1.147 1.00 10.32 H new ATOM 0 HG SER A 57 -13.604 -9.020 1.529 1.00 13.59 H new ATOM 915 N ASP A 58 -9.129 -9.378 3.064 1.00 9.11 N ATOM 916 CA ASP A 58 -8.343 -10.323 3.795 1.00 7.91 C ATOM 917 C ASP A 58 -7.609 -9.755 4.961 1.00 9.12 C ATOM 918 O ASP A 58 -7.404 -10.500 5.918 1.00 8.61 O ATOM 919 CB ASP A 58 -7.311 -10.968 2.855 1.00 8.41 C ATOM 920 CG ASP A 58 -7.870 -11.946 1.832 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.762 -12.756 2.202 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.418 -11.872 0.659 1.00 10.05 O ATOM 0 H ASP A 58 -8.802 -9.294 2.102 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.056 -11.046 4.190 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.786 -10.175 2.323 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.570 -11.489 3.462 1.00 8.41 H new ATOM 927 N TYR A 59 -7.128 -8.504 4.850 1.00 7.97 N ATOM 928 CA TYR A 59 -6.310 -7.821 5.804 1.00 8.45 C ATOM 929 C TYR A 59 -7.113 -6.944 6.700 1.00 10.98 C ATOM 930 O TYR A 59 -6.485 -6.456 7.638 1.00 12.95 O ATOM 931 CB TYR A 59 -5.245 -6.997 5.060 1.00 7.94 C ATOM 932 CG TYR A 59 -4.038 -7.870 4.996 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.348 -8.371 6.074 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.577 -8.165 3.735 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.244 -9.172 5.898 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.453 -8.914 3.476 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.873 -9.447 4.603 1.00 6.76 C ATOM 938 OH TYR A 59 -0.834 -10.382 4.410 1.00 7.63 O ATOM 0 H TYR A 59 -7.326 -7.928 4.032 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.827 -8.566 6.436 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.586 -6.725 4.061 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.029 -6.067 5.587 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.678 -8.132 7.074 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.134 -7.783 2.892 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.693 -9.567 6.739 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.063 -9.069 2.481 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.841 -10.691 3.480 1.00 7.63 H new ATOM 948 N ASN A 60 -8.438 -6.754 6.562 1.00 12.38 N ATOM 949 CA ASN A 60 -9.257 -6.021 7.477 1.00 13.94 C ATOM 950 C ASN A 60 -8.991 -4.559 7.356 1.00 14.16 C ATOM 951 O ASN A 60 -8.731 -3.875 8.344 1.00 14.26 O ATOM 952 CB ASN A 60 -9.198 -6.548 8.920 1.00 19.23 C ATOM 953 CG ASN A 60 -9.297 -8.065 8.992 1.00 22.65 C ATOM 954 OD1 ASN A 60 -8.456 -8.771 9.547 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.328 -8.584 8.273 1.00 24.09 N ATOM 0 H ASN A 60 -8.963 -7.131 5.773 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.296 -6.186 7.191 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -8.265 -6.226 9.383 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.010 -6.106 9.498 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -10.426 -9.595 8.178 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.004 -7.962 7.829 1.00 24.09 H new ATOM 962 N ILE A 61 -8.873 -4.019 6.130 1.00 11.08 N ATOM 963 CA ILE A 61 -8.620 -2.633 5.885 1.00 11.78 C ATOM 964 C ILE A 61 -9.859 -1.922 5.462 1.00 13.74 C ATOM 965 O ILE A 61 -10.418 -2.216 4.407 1.00 14.60 O ATOM 966 CB ILE A 61 -7.579 -2.319 4.852 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.281 -2.899 5.438 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.569 -0.877 4.317 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.008 -2.771 4.603 1.00 11.42 C ATOM 0 H ILE A 61 -8.957 -4.570 5.276 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.242 -2.293 6.849 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.788 -2.787 3.890 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.102 -2.417 6.399 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.446 -3.958 5.638 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.776 -0.769 3.578 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.530 -0.654 3.853 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.394 -0.185 5.141 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.174 -3.223 5.140 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.145 -3.281 3.650 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.795 -1.717 4.423 1.00 11.42 H new ATOM 981 N GLN A 62 -10.350 -0.959 6.262 1.00 13.97 N ATOM 982 CA GLN A 62 -11.468 -0.124 5.951 1.00 15.52 C ATOM 983 C GLN A 62 -11.040 1.180 5.371 1.00 13.94 C ATOM 984 O GLN A 62 -9.876 1.463 5.092 1.00 12.15 O ATOM 985 CB GLN A 62 -12.440 0.141 7.113 1.00 19.53 C ATOM 986 CG GLN A 62 -12.867 -1.137 7.838 1.00 26.38 C ATOM 987 CD GLN A 62 -13.541 -0.736 9.142 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.558 -0.044 9.144 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.957 -1.107 10.313 1.00 32.71 N ATOM 0 H GLN A 62 -9.945 -0.752 7.175 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.020 -0.709 5.215 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.969 0.817 7.827 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.326 0.648 6.730 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.551 -1.716 7.218 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.002 -1.770 8.035 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.114 -1.681 10.303 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.362 -0.811 11.201 1.00 32.71 H new ATOM 998 N LYS A 63 -11.979 2.093 5.066 1.00 11.73 N ATOM 999 CA LYS A 63 -11.866 3.434 4.583 1.00 11.97 C ATOM 1000 C LYS A 63 -11.005 4.359 5.372 1.00 10.41 C ATOM 1001 O LYS A 63 -10.994 4.302 6.601 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.175 4.182 4.276 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.990 4.598 5.502 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.371 5.225 5.295 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.308 6.546 4.526 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.698 7.054 4.549 1.00 25.97 N ATOM 0 H LYS A 63 -12.963 1.847 5.177 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.370 3.196 3.642 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.938 5.075 3.697 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.797 3.548 3.644 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.120 3.714 6.127 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.389 5.306 6.072 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.007 4.524 4.754 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.838 5.396 6.265 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -14.621 7.248 4.998 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -14.957 6.395 3.505 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.745 7.961 4.042 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.327 6.366 4.087 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.001 7.193 5.534 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.198 5.187 4.684 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.457 6.230 5.325 1.00 10.94 C ATOM 1022 C GLU A 64 -8.321 5.725 6.146 1.00 9.74 C ATOM 1023 O GLU A 64 -7.874 6.330 7.119 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.318 7.261 6.074 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.062 8.102 5.034 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.769 9.309 5.635 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.949 9.449 6.874 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.064 10.277 4.885 1.00 32.61 O ATOM 0 H GLU A 64 -10.058 5.133 3.675 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.016 6.787 4.498 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.025 6.759 6.734 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.692 7.896 6.701 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.355 8.442 4.278 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.795 7.475 4.526 1.00 24.16 H new ATOM 1035 N SER A 65 -7.831 4.523 5.793 1.00 6.85 N ATOM 1036 CA SER A 65 -6.758 3.913 6.515 1.00 6.90 C ATOM 1037 C SER A 65 -5.430 4.235 5.922 1.00 4.72 C ATOM 1038 O SER A 65 -5.260 4.211 4.704 1.00 3.91 O ATOM 1039 CB SER A 65 -6.762 2.378 6.414 1.00 7.28 C ATOM 1040 OG SER A 65 -7.895 1.699 6.936 1.00 10.56 O ATOM 0 H SER A 65 -8.178 3.973 5.007 1.00 6.85 H new ATOM 0 HA SER A 65 -6.903 4.285 7.529 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.660 2.108 5.363 1.00 7.28 H new ATOM 0 HB3 SER A 65 -5.876 2.003 6.927 1.00 7.28 H new ATOM 0 HG SER A 65 -8.621 1.719 6.278 1.00 10.56 H new ATOM 1046 N THR A 66 -4.432 4.430 6.802 1.00 4.48 N ATOM 1047 CA THR A 66 -3.100 4.882 6.544 1.00 3.80 C ATOM 1048 C THR A 66 -2.105 3.772 6.546 1.00 4.60 C ATOM 1049 O THR A 66 -1.694 3.325 7.615 1.00 5.33 O ATOM 1050 CB THR A 66 -2.709 6.041 7.412 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.789 6.956 7.530 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.532 6.692 6.666 1.00 3.40 C ATOM 0 H THR A 66 -4.576 4.252 7.796 1.00 4.48 H new ATOM 0 HA THR A 66 -3.096 5.268 5.525 1.00 3.80 H new ATOM 0 HB THR A 66 -2.445 5.737 8.425 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.521 7.707 8.100 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.177 7.555 7.229 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.723 5.969 6.561 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.861 7.014 5.678 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.800 3.322 5.315 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.808 2.341 5.002 1.00 3.85 C ATOM 1062 C LEU A 67 0.535 2.976 4.887 1.00 3.80 C ATOM 1063 O LEU A 67 0.746 4.114 4.471 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.133 1.645 3.670 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.216 0.561 3.797 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.584 1.204 4.081 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.172 -0.334 2.547 1.00 8.12 C ATOM 0 H LEU A 67 -2.279 3.668 4.484 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.804 1.607 5.808 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.461 2.393 2.948 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.223 1.195 3.272 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.028 -0.089 4.651 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.341 0.425 4.168 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.535 1.768 5.012 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.847 1.875 3.264 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.936 -1.107 2.626 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.358 0.271 1.660 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.190 -0.801 2.468 1.00 8.12 H new ATOM 1079 N HIS A 68 1.622 2.291 5.286 1.00 2.94 N ATOM 1080 CA HIS A 68 2.907 2.908 5.406 1.00 4.17 C ATOM 1081 C HIS A 68 3.617 2.285 4.254 1.00 5.32 C ATOM 1082 O HIS A 68 3.563 1.066 4.098 1.00 7.70 O ATOM 1083 CB HIS A 68 3.684 2.592 6.695 1.00 5.57 C ATOM 1084 CG HIS A 68 3.094 3.253 7.906 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.522 3.002 9.194 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.063 4.128 8.053 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.801 3.784 10.041 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.895 4.478 9.377 1.00 16.30 N ATOM 0 H HIS A 68 1.610 1.300 5.528 1.00 2.94 H new ATOM 0 HA HIS A 68 2.821 3.994 5.426 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.702 1.513 6.848 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.719 2.914 6.578 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.456 4.500 7.241 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.949 3.831 11.110 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.215 5.134 9.761 1.00 16.30 H new ATOM 1096 N LEU A 69 4.333 3.106 3.465 1.00 5.29 N ATOM 1097 CA LEU A 69 5.188 2.543 2.466 1.00 3.97 C ATOM 1098 C LEU A 69 6.608 2.641 2.906 1.00 5.07 C ATOM 1099 O LEU A 69 7.115 3.698 3.279 1.00 4.34 O ATOM 1100 CB LEU A 69 4.957 3.286 1.139 1.00 6.08 C ATOM 1101 CG LEU A 69 5.821 2.702 0.009 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.282 1.375 -0.552 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.206 3.656 -1.134 1.00 6.87 C ATOM 0 H LEU A 69 4.323 4.125 3.513 1.00 5.29 H new ATOM 0 HA LEU A 69 4.958 1.488 2.319 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.904 3.222 0.864 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.190 4.343 1.267 1.00 6.08 H new ATOM 0 HG LEU A 69 6.755 2.508 0.536 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.941 1.021 -1.345 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.242 0.632 0.245 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.281 1.530 -0.954 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.814 3.122 -1.864 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.303 4.029 -1.617 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.775 4.495 -0.732 1.00 6.87 H new ATOM 1115 N VAL A 70 7.340 1.513 2.928 1.00 4.29 N ATOM 1116 CA VAL A 70 8.711 1.385 3.313 1.00 6.26 C ATOM 1117 C VAL A 70 9.457 0.995 2.083 1.00 9.22 C ATOM 1118 O VAL A 70 9.017 0.360 1.126 1.00 9.36 O ATOM 1119 CB VAL A 70 8.945 0.353 4.376 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.423 0.148 4.747 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.177 0.758 5.646 1.00 8.54 C ATOM 0 H VAL A 70 6.938 0.617 2.653 1.00 4.29 H new ATOM 0 HA VAL A 70 9.044 2.332 3.738 1.00 6.26 H new ATOM 0 HB VAL A 70 8.592 -0.592 3.962 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.501 -0.615 5.522 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.978 -0.172 3.865 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.839 1.085 5.117 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.342 0.013 6.424 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.532 1.729 5.992 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.112 0.820 5.423 1.00 8.54 H new ATOM 1131 N LEU A 71 10.745 1.379 2.065 1.00 12.71 N ATOM 1132 CA LEU A 71 11.625 1.114 0.969 1.00 16.06 C ATOM 1133 C LEU A 71 12.806 0.322 1.413 1.00 18.09 C ATOM 1134 O LEU A 71 13.634 0.739 2.221 1.00 19.26 O ATOM 1135 CB LEU A 71 12.273 2.416 0.470 1.00 17.10 C ATOM 1136 CG LEU A 71 11.250 3.424 -0.081 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.840 4.825 -0.315 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.681 2.951 -1.430 1.00 17.51 C ATOM 0 H LEU A 71 11.187 1.887 2.832 1.00 12.71 H new ATOM 0 HA LEU A 71 11.018 0.607 0.219 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.825 2.878 1.289 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.998 2.179 -0.309 1.00 17.10 H new ATOM 0 HG LEU A 71 10.476 3.483 0.684 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.065 5.486 -0.704 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.217 5.223 0.627 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.656 4.760 -1.034 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.960 3.682 -1.797 1.00 17.51 H new ATOM 0 HD22 LEU A 71 11.492 2.847 -2.151 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.187 1.988 -1.299 1.00 17.51 H new ATOM 1150 N ARG A 72 12.875 -0.941 0.957 1.00 21.47 N ATOM 1151 CA ARG A 72 13.779 -1.996 1.298 1.00 25.83 C ATOM 1152 C ARG A 72 14.605 -2.393 0.123 1.00 27.74 C ATOM 1153 O ARG A 72 14.306 -2.229 -1.059 1.00 30.65 O ATOM 1154 CB ARG A 72 13.047 -3.189 1.936 1.00 28.49 C ATOM 1155 CG ARG A 72 11.834 -3.807 1.238 1.00 31.79 C ATOM 1156 CD ARG A 72 11.997 -4.551 -0.089 1.00 34.05 C ATOM 1157 NE ARG A 72 10.630 -4.928 -0.547 1.00 35.08 N ATOM 1158 CZ ARG A 72 10.042 -6.122 -0.242 1.00 34.67 C ATOM 1159 NH1 ARG A 72 10.589 -6.980 0.667 1.00 35.02 N ATOM 1160 NH2 ARG A 72 8.872 -6.524 -0.818 1.00 34.97 N ATOM 0 H ARG A 72 12.206 -1.260 0.256 1.00 21.47 H new ATOM 0 HA ARG A 72 14.465 -1.619 2.057 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.781 -3.983 2.073 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.725 -2.877 2.930 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.377 -4.502 1.942 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.116 -3.004 1.071 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.491 -3.919 -0.827 1.00 34.05 H new ATOM 0 HD3 ARG A 72 12.619 -5.437 0.039 1.00 34.05 H new ATOM 0 HE ARG A 72 10.108 -4.262 -1.116 1.00 35.08 H new ATOM 0 HH11 ARG A 72 11.460 -6.736 1.139 1.00 35.02 H new ATOM 0 HH12 ARG A 72 10.127 -7.865 0.875 1.00 35.02 H new ATOM 0 HH21 ARG A 72 8.408 -5.925 -1.501 1.00 34.97 H new ATOM 0 HH22 ARG A 72 8.462 -7.423 -0.566 1.00 34.97 H new ATOM 1174 N LEU A 73 15.737 -3.085 0.346 1.00 28.93 N ATOM 1175 CA LEU A 73 16.539 -3.688 -0.673 1.00 30.76 C ATOM 1176 C LEU A 73 15.939 -4.988 -1.085 1.00 32.18 C ATOM 1177 O LEU A 73 15.190 -5.597 -0.323 1.00 32.31 O ATOM 1178 CB LEU A 73 17.928 -3.917 -0.054 1.00 30.53 C ATOM 1179 CG LEU A 73 18.632 -2.646 0.450 1.00 30.16 C ATOM 1180 CD1 LEU A 73 20.024 -2.938 1.034 1.00 29.11 C ATOM 1181 CD2 LEU A 73 18.888 -1.688 -0.726 1.00 29.57 C ATOM 0 H LEU A 73 16.111 -3.231 1.284 1.00 28.93 H new ATOM 0 HA LEU A 73 16.603 -3.055 -1.558 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.828 -4.613 0.779 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.565 -4.397 -0.796 1.00 30.53 H new ATOM 0 HG LEU A 73 17.976 -2.225 1.212 1.00 30.16 H new ATOM 0 HD11 LEU A 73 20.478 -2.008 1.375 1.00 29.11 H new ATOM 0 HD12 LEU A 73 19.929 -3.625 1.875 1.00 29.11 H new ATOM 0 HD13 LEU A 73 20.653 -3.389 0.267 1.00 29.11 H new ATOM 0 HD21 LEU A 73 19.387 -0.790 -0.362 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.520 -2.180 -1.465 1.00 29.57 H new ATOM 0 HD23 LEU A 73 17.938 -1.414 -1.186 1.00 29.57 H new ATOM 1193 N ARG A 74 16.221 -5.565 -2.266 1.00 33.82 N ATOM 1194 CA ARG A 74 15.440 -6.620 -2.833 1.00 35.33 C ATOM 1195 C ARG A 74 15.735 -8.013 -2.394 1.00 36.22 C ATOM 1196 O ARG A 74 16.894 -8.414 -2.302 1.00 36.70 O ATOM 1197 CB ARG A 74 15.711 -6.574 -4.346 1.00 36.91 C ATOM 1198 CG ARG A 74 14.879 -7.536 -5.196 1.00 38.62 C ATOM 1199 CD ARG A 74 15.168 -7.312 -6.682 1.00 39.75 C ATOM 1200 NE ARG A 74 14.186 -8.235 -7.318 1.00 41.13 N ATOM 1201 CZ ARG A 74 13.850 -8.077 -8.632 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.365 -7.067 -9.393 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.011 -8.950 -9.263 1.00 41.93 N ATOM 0 H ARG A 74 17.015 -5.290 -2.844 1.00 33.82 H new ATOM 0 HA ARG A 74 14.416 -6.434 -2.507 1.00 35.33 H new ATOM 0 HB2 ARG A 74 15.532 -5.558 -4.698 1.00 36.91 H new ATOM 0 HB3 ARG A 74 16.766 -6.788 -4.515 1.00 36.91 H new ATOM 0 HG2 ARG A 74 15.110 -8.566 -4.924 1.00 38.62 H new ATOM 0 HG3 ARG A 74 13.818 -7.384 -4.997 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.009 -6.275 -6.979 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.196 -7.564 -6.943 1.00 39.75 H new ATOM 0 HE ARG A 74 13.764 -8.986 -6.771 1.00 41.13 H new ATOM 0 HH11 ARG A 74 15.021 -6.403 -8.982 1.00 42.75 H new ATOM 0 HH12 ARG A 74 14.093 -6.977 -10.372 1.00 42.75 H new ATOM 0 HH21 ARG A 74 12.620 -9.742 -8.752 1.00 41.93 H new ATOM 0 HH22 ARG A 74 12.775 -8.811 -10.245 1.00 41.93 H new ATOM 1217 N GLY A 75 14.631 -8.711 -2.070 1.00 36.31 N ATOM 1218 CA GLY A 75 14.767 -10.002 -1.470 1.00 36.07 C ATOM 1219 C GLY A 75 13.528 -10.748 -1.111 1.00 36.16 C ATOM 1220 O GLY A 75 12.711 -11.234 -1.892 1.00 36.26 O ATOM 0 H GLY A 75 13.673 -8.394 -2.217 1.00 36.31 H new ATOM 0 HA2 GLY A 75 15.345 -10.626 -2.151 1.00 36.07 H new ATOM 0 HA3 GLY A 75 15.360 -9.886 -0.563 1.00 36.07 H new ATOM 1224 N GLY A 76 13.258 -10.773 0.206 1.00 36.05 N ATOM 1225 CA GLY A 76 12.183 -11.578 0.695 1.00 36.19 C ATOM 1226 C GLY A 76 11.978 -11.375 2.190 1.00 36.20 C ATOM 1227 O GLY A 76 10.774 -11.265 2.545 1.00 36.13 O ATOM 1228 OXT GLY A 76 12.959 -11.320 2.978 1.00 36.27 O ATOM 0 H GLY A 76 13.769 -10.250 0.917 1.00 36.05 H new ATOM 0 HA2 GLY A 76 11.266 -11.327 0.162 1.00 36.19 H new ATOM 0 HA3 GLY A 76 12.391 -12.629 0.493 1.00 36.19 H new TER 1232 GLY A 76