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 55 THR OG1 : rot -43:sc= 1.31 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -142:sc= 2.29 (180deg=0.833) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.91 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 147:sc= -0.0388 (180deg=-0.0967) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.36 (180deg=2.12) USER MOD Single : A 2 GLN : amide:sc= -0.591 K(o=-0.59,f=-0.01) USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= 1.14 (180deg=0.581) 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= 0.33 USER MOD Single : A 25 ASN : amide:sc= -0.844 K(o=-0.84,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 2.17 (180deg=2.03) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 1.94 (180deg=1.05) USER MOD Single : A 31 GLN : amide:sc= -0.705 X(o=-0.7,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= 0.577 (180deg=0.0287) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 41 GLN : amide:sc= 0.0716 K(o=0.072,f=-0.65) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.208 K(o=-0.21,f=-1) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0459 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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=-0.076) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.298 -7.297 -5.069 1.00 9.67 N ATOM 2 CA MET A 1 11.205 -7.724 -3.716 1.00 10.38 C ATOM 3 C MET A 1 9.805 -8.015 -3.159 1.00 9.62 C ATOM 4 O MET A 1 8.837 -7.484 -3.710 1.00 9.62 O ATOM 5 CB MET A 1 11.900 -6.695 -2.743 1.00 13.77 C ATOM 6 CG MET A 1 11.184 -5.382 -2.402 1.00 16.29 C ATOM 7 SD MET A 1 12.082 -4.234 -1.422 1.00 17.17 S ATOM 8 CE MET A 1 10.836 -3.006 -1.279 1.00 16.11 C ATOM 0 H1 MET A 1 12.291 -7.332 -5.377 1.00 9.67 H new ATOM 0 H2 MET A 1 10.727 -7.924 -5.671 1.00 9.67 H new ATOM 0 H3 MET A 1 10.944 -6.322 -5.151 1.00 9.67 H new ATOM 0 HA MET A 1 11.717 -8.686 -3.751 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.097 -7.214 -1.805 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.867 -6.438 -3.175 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.907 -4.891 -3.335 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.257 -5.624 -1.882 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.919 -2.515 -0.309 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.960 -2.268 -2.071 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.854 -3.472 -1.368 1.00 16.11 H new ATOM 20 N GLN A 2 9.687 -8.877 -2.186 1.00 9.27 N ATOM 21 CA GLN A 2 8.365 -9.198 -1.611 1.00 9.07 C ATOM 22 C GLN A 2 8.059 -8.319 -0.436 1.00 8.72 C ATOM 23 O GLN A 2 8.854 -8.134 0.462 1.00 8.22 O ATOM 24 CB GLN A 2 8.323 -10.608 -0.930 1.00 14.46 C ATOM 25 CG GLN A 2 8.659 -11.709 -1.974 1.00 17.01 C ATOM 26 CD GLN A 2 7.469 -11.977 -2.908 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.873 -13.023 -2.711 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.205 -11.127 -3.907 1.00 19.49 N ATOM 0 H GLN A 2 10.469 -9.377 -1.763 1.00 9.27 H new ATOM 0 HA GLN A 2 7.686 -9.100 -2.458 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.036 -10.645 -0.107 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.336 -10.787 -0.505 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.524 -11.403 -2.563 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.934 -12.629 -1.459 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.750 -10.270 -4.005 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.459 -11.336 -4.571 1.00 19.49 H new ATOM 37 N ILE A 3 6.888 -7.738 -0.377 1.00 5.87 N ATOM 38 CA ILE A 3 6.457 -7.078 0.910 1.00 5.07 C ATOM 39 C ILE A 3 5.039 -7.597 1.218 1.00 4.01 C ATOM 40 O ILE A 3 4.367 -8.231 0.413 1.00 4.61 O ATOM 41 CB ILE A 3 6.582 -5.550 0.857 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.654 -4.976 -0.244 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.027 -5.006 0.724 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.349 -3.505 -0.048 1.00 10.83 C ATOM 0 H ILE A 3 6.217 -7.688 -1.144 1.00 5.87 H new ATOM 0 HA ILE A 3 7.120 -7.344 1.734 1.00 5.07 H new ATOM 0 HB ILE A 3 6.258 -5.197 1.836 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.122 -5.118 -1.218 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.720 -5.538 -0.254 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.004 -3.917 0.695 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.619 -5.334 1.578 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.475 -5.384 -0.195 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.695 -3.159 -0.849 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.854 -3.361 0.912 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.278 -2.935 -0.066 1.00 10.83 H new ATOM 56 N PHE A 4 4.551 -7.337 2.484 1.00 4.55 N ATOM 57 CA PHE A 4 3.192 -7.699 3.027 1.00 4.68 C ATOM 58 C PHE A 4 2.279 -6.529 3.252 1.00 5.30 C ATOM 59 O PHE A 4 2.683 -5.538 3.828 1.00 5.58 O ATOM 60 CB PHE A 4 3.407 -8.443 4.327 1.00 4.83 C ATOM 61 CG PHE A 4 4.308 -9.617 4.166 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.005 -10.694 3.276 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.379 -9.746 5.059 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.811 -11.871 3.331 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.170 -10.921 5.076 1.00 10.61 C ATOM 66 CZ PHE A 4 5.876 -11.971 4.133 1.00 8.90 C ATOM 0 H PHE A 4 5.119 -6.851 3.178 1.00 4.55 H new ATOM 0 HA PHE A 4 2.689 -8.309 2.277 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.830 -7.763 5.066 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.445 -8.777 4.715 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.185 -10.619 2.578 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.604 -8.941 5.742 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.551 -12.710 2.703 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.979 -11.028 5.783 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.516 -12.839 4.074 1.00 8.90 H new ATOM 76 N VAL A 5 0.975 -6.648 2.923 1.00 4.44 N ATOM 77 CA VAL A 5 -0.050 -5.641 3.196 1.00 3.87 C ATOM 78 C VAL A 5 -1.099 -6.318 4.031 1.00 4.93 C ATOM 79 O VAL A 5 -1.607 -7.367 3.699 1.00 6.84 O ATOM 80 CB VAL A 5 -0.688 -4.996 1.938 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.793 -4.014 2.245 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.410 -4.468 0.949 1.00 9.13 C ATOM 0 H VAL A 5 0.606 -7.472 2.448 1.00 4.44 H new ATOM 0 HA VAL A 5 0.424 -4.803 3.708 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.214 -5.788 1.405 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.187 -3.607 1.314 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.591 -4.522 2.786 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.399 -3.203 2.857 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.069 -4.022 0.078 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.021 -3.718 1.451 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.042 -5.297 0.631 1.00 9.13 H new ATOM 92 N LYS A 6 -1.493 -5.793 5.199 1.00 6.04 N ATOM 93 CA LYS A 6 -2.464 -6.445 6.137 1.00 6.12 C ATOM 94 C LYS A 6 -3.855 -5.955 5.993 1.00 6.57 C ATOM 95 O LYS A 6 -4.182 -4.793 6.271 1.00 5.76 O ATOM 96 CB LYS A 6 -2.094 -6.262 7.650 1.00 7.45 C ATOM 97 CG LYS A 6 -0.807 -7.010 8.197 1.00 11.12 C ATOM 98 CD LYS A 6 -0.779 -8.559 8.145 1.00 14.54 C ATOM 99 CE LYS A 6 -2.034 -9.293 8.664 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.960 -10.759 8.428 1.00 20.55 N ATOM 0 H LYS A 6 -1.152 -4.894 5.538 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.398 -7.494 5.849 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.965 -5.196 7.836 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.948 -6.588 8.244 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.054 -6.643 7.638 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.664 -6.710 9.235 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.611 -8.862 7.111 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.079 -8.903 8.722 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.150 -9.103 9.731 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.919 -8.891 8.171 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.901 -11.116 8.165 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.288 -10.953 7.658 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.639 -11.235 9.295 1.00 20.55 H new ATOM 114 N THR A 7 -4.769 -6.786 5.498 1.00 7.41 N ATOM 115 CA THR A 7 -6.094 -6.239 5.298 1.00 7.48 C ATOM 116 C THR A 7 -6.929 -6.170 6.652 1.00 8.75 C ATOM 117 O THR A 7 -6.622 -6.883 7.590 1.00 8.58 O ATOM 118 CB THR A 7 -6.848 -7.006 4.283 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.315 -8.280 4.744 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.039 -7.159 3.044 1.00 9.17 C ATOM 0 H THR A 7 -4.630 -7.765 5.247 1.00 7.41 H new ATOM 0 HA THR A 7 -5.952 -5.220 4.937 1.00 7.48 H new ATOM 0 HB THR A 7 -7.744 -6.424 4.067 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.805 -8.729 4.024 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.607 -7.726 2.306 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.801 -6.175 2.641 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.115 -7.689 3.276 1.00 9.17 H new ATOM 128 N LEU A 8 -8.087 -5.518 6.699 1.00 9.84 N ATOM 129 CA LEU A 8 -8.942 -5.397 7.921 1.00 14.15 C ATOM 130 C LEU A 8 -9.431 -6.738 8.490 1.00 17.37 C ATOM 131 O LEU A 8 -9.678 -6.883 9.643 1.00 17.01 O ATOM 132 CB LEU A 8 -10.092 -4.452 7.665 1.00 16.63 C ATOM 133 CG LEU A 8 -9.758 -2.987 7.423 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.770 -2.262 6.580 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.272 -2.256 8.643 1.00 18.59 C ATOM 0 H LEU A 8 -8.482 -5.044 5.887 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.300 -4.983 8.699 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.642 -4.819 6.799 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.768 -4.506 8.518 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.874 -2.996 6.786 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.461 -1.224 6.453 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.841 -2.742 5.604 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.742 -2.294 7.071 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.056 -1.219 8.384 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.041 -2.285 9.415 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.366 -2.733 9.016 1.00 18.59 H new ATOM 147 N THR A 9 -9.627 -7.735 7.614 1.00 18.33 N ATOM 148 CA THR A 9 -9.992 -9.068 7.976 1.00 19.24 C ATOM 149 C THR A 9 -8.847 -10.070 8.183 1.00 19.48 C ATOM 150 O THR A 9 -8.972 -11.284 8.321 1.00 23.14 O ATOM 151 CB THR A 9 -11.002 -9.785 7.041 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.453 -9.951 5.699 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.369 -9.012 6.938 1.00 19.70 C ATOM 0 H THR A 9 -9.527 -7.607 6.607 1.00 18.33 H new ATOM 0 HA THR A 9 -10.457 -8.827 8.932 1.00 19.24 H new ATOM 0 HB THR A 9 -11.186 -10.763 7.486 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.109 -10.407 5.131 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.043 -9.552 6.273 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.819 -8.936 7.928 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.193 -8.012 6.542 1.00 19.70 H new ATOM 161 N GLY A 10 -7.639 -9.526 8.231 1.00 19.43 N ATOM 162 CA GLY A 10 -6.424 -10.100 8.791 1.00 18.74 C ATOM 163 C GLY A 10 -5.583 -10.896 7.828 1.00 17.62 C ATOM 164 O GLY A 10 -4.549 -11.462 8.152 1.00 19.74 O ATOM 0 H GLY A 10 -7.470 -8.596 7.848 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.815 -9.293 9.198 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.698 -10.744 9.626 1.00 18.74 H new ATOM 168 N LYS A 11 -6.055 -10.929 6.548 1.00 13.56 N ATOM 169 CA LYS A 11 -5.353 -11.427 5.396 1.00 11.91 C ATOM 170 C LYS A 11 -4.106 -10.710 5.138 1.00 10.18 C ATOM 171 O LYS A 11 -4.020 -9.502 5.203 1.00 9.10 O ATOM 172 CB LYS A 11 -6.310 -11.522 4.151 1.00 13.43 C ATOM 173 CG LYS A 11 -5.791 -12.359 2.966 1.00 16.69 C ATOM 174 CD LYS A 11 -6.799 -12.228 1.807 1.00 17.92 C ATOM 175 CE LYS A 11 -6.297 -12.975 0.578 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.382 -13.014 -0.422 1.00 21.93 N ATOM 0 H LYS A 11 -6.986 -10.584 6.313 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.034 -12.446 5.615 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.261 -11.942 4.479 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.514 -10.512 3.796 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.807 -12.009 2.655 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.680 -13.403 3.258 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.767 -12.626 2.112 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.949 -11.176 1.565 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.419 -12.478 0.165 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.994 -13.987 0.847 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.387 -13.942 -0.892 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.296 -12.860 0.051 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.229 -12.268 -1.130 1.00 21.93 H new ATOM 190 N THR A 12 -2.988 -11.493 4.850 1.00 9.63 N ATOM 191 CA THR A 12 -1.813 -10.818 4.341 1.00 9.85 C ATOM 192 C THR A 12 -1.888 -10.884 2.846 1.00 11.66 C ATOM 193 O THR A 12 -1.976 -11.941 2.294 1.00 12.33 O ATOM 194 CB THR A 12 -0.500 -11.490 4.750 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.287 -11.339 6.176 1.00 10.91 O ATOM 196 CG2 THR A 12 0.681 -10.944 4.077 1.00 9.63 C ATOM 0 H THR A 12 -2.917 -12.504 4.964 1.00 9.63 H new ATOM 0 HA THR A 12 -1.809 -9.806 4.745 1.00 9.85 H new ATOM 0 HB THR A 12 -0.609 -12.534 4.457 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.554 -11.773 6.429 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.571 -11.472 4.419 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.576 -11.070 2.999 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.775 -9.884 4.311 1.00 9.63 H new ATOM 204 N ILE A 13 -1.670 -9.782 2.129 1.00 10.42 N ATOM 205 CA ILE A 13 -1.441 -9.737 0.716 1.00 11.84 C ATOM 206 C ILE A 13 0.059 -9.678 0.538 1.00 10.55 C ATOM 207 O ILE A 13 0.702 -8.780 1.047 1.00 11.92 O ATOM 208 CB ILE A 13 -2.151 -8.609 -0.012 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.545 -8.324 0.618 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.378 -9.033 -1.492 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.205 -7.082 0.036 1.00 16.46 C ATOM 0 H ILE A 13 -1.651 -8.856 2.557 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.873 -10.625 0.255 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.533 -7.714 0.060 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.195 -9.185 0.459 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.435 -8.202 1.696 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.887 -8.231 -2.026 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.416 -9.231 -1.965 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.989 -9.935 -1.522 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.174 -6.929 0.510 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.571 -6.214 0.218 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.343 -7.212 -1.037 1.00 16.46 H new ATOM 223 N THR A 14 0.638 -10.586 -0.234 1.00 9.39 N ATOM 224 CA THR A 14 2.064 -10.708 -0.500 1.00 9.63 C ATOM 225 C THR A 14 2.223 -10.121 -1.881 1.00 11.20 C ATOM 226 O THR A 14 1.539 -10.501 -2.845 1.00 11.63 O ATOM 227 CB THR A 14 2.524 -12.182 -0.553 1.00 10.38 C ATOM 228 OG1 THR A 14 1.948 -12.896 0.536 1.00 16.30 O ATOM 229 CG2 THR A 14 3.992 -12.252 -0.429 1.00 11.66 C ATOM 0 H THR A 14 0.093 -11.299 -0.720 1.00 9.39 H new ATOM 0 HA THR A 14 2.649 -10.219 0.279 1.00 9.63 H new ATOM 0 HB THR A 14 2.209 -12.617 -1.502 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.237 -13.832 0.503 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.311 -13.294 -0.467 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.453 -11.701 -1.249 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.298 -11.813 0.521 1.00 11.66 H new ATOM 237 N LEU A 15 2.995 -9.082 -1.981 1.00 8.29 N ATOM 238 CA LEU A 15 3.039 -8.221 -3.181 1.00 9.03 C ATOM 239 C LEU A 15 4.483 -8.195 -3.658 1.00 8.59 C ATOM 240 O LEU A 15 5.409 -8.150 -2.893 1.00 7.79 O ATOM 241 CB LEU A 15 2.797 -6.661 -2.831 1.00 11.08 C ATOM 242 CG LEU A 15 1.355 -6.307 -2.313 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.340 -4.800 -2.196 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.202 -6.753 -3.215 1.00 15.27 C ATOM 0 H LEU A 15 3.628 -8.783 -1.239 1.00 8.29 H new ATOM 0 HA LEU A 15 2.292 -8.608 -3.874 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.522 -6.358 -2.075 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.001 -6.069 -3.723 1.00 11.08 H new ATOM 0 HG LEU A 15 1.184 -6.841 -1.378 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.364 -4.472 -1.839 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.109 -4.482 -1.492 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.536 -4.357 -3.173 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.746 -6.460 -2.765 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.301 -6.281 -4.192 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.229 -7.836 -3.331 1.00 15.27 H new ATOM 256 N GLU A 16 4.701 -8.308 -4.980 1.00 11.04 N ATOM 257 CA GLU A 16 6.021 -8.264 -5.622 1.00 11.50 C ATOM 258 C GLU A 16 6.271 -6.806 -6.058 1.00 10.13 C ATOM 259 O GLU A 16 5.571 -6.261 -6.890 1.00 9.83 O ATOM 260 CB GLU A 16 6.051 -9.297 -6.776 1.00 17.22 C ATOM 261 CG GLU A 16 7.346 -9.298 -7.629 1.00 23.33 C ATOM 262 CD GLU A 16 8.650 -9.489 -6.927 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.923 -10.687 -6.588 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.476 -8.553 -6.724 1.00 28.86 O ATOM 0 H GLU A 16 3.941 -8.436 -5.648 1.00 11.04 H new ATOM 0 HA GLU A 16 6.834 -8.546 -4.953 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.912 -10.293 -6.354 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.202 -9.108 -7.433 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.252 -10.085 -8.377 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.392 -8.351 -8.166 1.00 23.33 H new ATOM 271 N VAL A 17 7.234 -6.075 -5.448 1.00 8.99 N ATOM 272 CA VAL A 17 7.448 -4.667 -5.656 1.00 8.85 C ATOM 273 C VAL A 17 8.928 -4.401 -5.843 1.00 8.04 C ATOM 274 O VAL A 17 9.768 -5.166 -5.395 1.00 8.99 O ATOM 275 CB VAL A 17 6.873 -3.793 -4.511 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.482 -4.271 -4.091 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.795 -3.881 -3.288 1.00 10.54 C ATOM 0 H VAL A 17 7.890 -6.483 -4.782 1.00 8.99 H new ATOM 0 HA VAL A 17 6.905 -4.383 -6.558 1.00 8.85 H new ATOM 0 HB VAL A 17 6.805 -2.769 -4.877 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.107 -3.638 -3.287 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.805 -4.214 -4.943 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.541 -5.302 -3.743 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.391 -3.267 -2.483 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.861 -4.917 -2.956 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.789 -3.522 -3.555 1.00 10.54 H new ATOM 287 N GLU A 18 9.344 -3.235 -6.501 1.00 7.29 N ATOM 288 CA GLU A 18 10.717 -2.771 -6.402 1.00 7.08 C ATOM 289 C GLU A 18 10.736 -1.421 -5.655 1.00 6.45 C ATOM 290 O GLU A 18 9.748 -0.701 -5.733 1.00 5.28 O ATOM 291 CB GLU A 18 11.441 -2.536 -7.736 1.00 10.28 C ATOM 292 CG GLU A 18 11.697 -3.822 -8.561 1.00 12.65 C ATOM 293 CD GLU A 18 12.537 -4.864 -7.795 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.756 -4.685 -7.507 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.034 -6.004 -7.672 1.00 18.17 O ATOM 0 H GLU A 18 8.736 -2.651 -7.075 1.00 7.29 H new ATOM 0 HA GLU A 18 11.241 -3.576 -5.888 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.852 -1.844 -8.338 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.396 -2.051 -7.536 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.741 -4.266 -8.840 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.208 -3.559 -9.487 1.00 12.65 H new ATOM 302 N PRO A 19 11.737 -1.049 -4.843 1.00 7.24 N ATOM 303 CA PRO A 19 11.998 0.265 -4.207 1.00 7.07 C ATOM 304 C PRO A 19 11.548 1.466 -4.943 1.00 6.65 C ATOM 305 O PRO A 19 11.231 2.494 -4.267 1.00 6.37 O ATOM 306 CB PRO A 19 13.468 0.241 -3.595 1.00 7.61 C ATOM 307 CG PRO A 19 13.716 -1.258 -3.456 1.00 8.16 C ATOM 308 CD PRO A 19 12.837 -1.916 -4.560 1.00 7.49 C ATOM 0 HA PRO A 19 11.314 0.402 -3.369 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.194 0.717 -4.254 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.521 0.756 -2.636 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.770 -1.498 -3.595 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.436 -1.614 -2.464 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.426 -2.086 -5.461 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.476 -2.889 -4.226 1.00 7.49 H new ATOM 316 N SER A 20 11.529 1.457 -6.236 1.00 6.80 N ATOM 317 CA SER A 20 11.137 2.668 -6.945 1.00 6.28 C ATOM 318 C SER A 20 9.675 2.663 -7.366 1.00 8.45 C ATOM 319 O SER A 20 9.130 3.621 -7.965 1.00 7.26 O ATOM 320 CB SER A 20 11.953 2.815 -8.244 1.00 8.57 C ATOM 321 OG SER A 20 13.350 2.946 -7.987 1.00 11.13 O ATOM 0 H SER A 20 11.770 0.659 -6.824 1.00 6.80 H new ATOM 0 HA SER A 20 11.316 3.485 -6.246 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.781 1.946 -8.880 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.603 3.688 -8.795 1.00 8.57 H new ATOM 0 HG SER A 20 13.832 3.035 -8.836 1.00 11.13 H new ATOM 327 N ASP A 21 8.875 1.629 -7.025 1.00 7.50 N ATOM 328 CA ASP A 21 7.472 1.580 -7.176 1.00 7.70 C ATOM 329 C ASP A 21 6.731 2.664 -6.460 1.00 7.08 C ATOM 330 O ASP A 21 6.846 2.885 -5.247 1.00 8.11 O ATOM 331 CB ASP A 21 6.811 0.197 -6.857 1.00 11.00 C ATOM 332 CG ASP A 21 7.159 -0.864 -7.919 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.740 -0.563 -9.036 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.915 -2.037 -7.568 1.00 14.36 O ATOM 0 H ASP A 21 9.251 0.773 -6.616 1.00 7.50 H new ATOM 0 HA ASP A 21 7.369 1.748 -8.248 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.143 -0.147 -5.878 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.729 0.316 -6.803 1.00 11.00 H new ATOM 339 N THR A 22 5.844 3.383 -7.209 1.00 5.37 N ATOM 340 CA THR A 22 4.952 4.365 -6.651 1.00 6.01 C ATOM 341 C THR A 22 3.930 3.776 -5.652 1.00 8.01 C ATOM 342 O THR A 22 3.471 2.658 -5.805 1.00 8.11 O ATOM 343 CB THR A 22 4.235 5.299 -7.627 1.00 8.92 C ATOM 344 OG1 THR A 22 3.304 4.618 -8.454 1.00 10.22 O ATOM 345 CG2 THR A 22 5.272 5.958 -8.544 1.00 9.65 C ATOM 0 H THR A 22 5.751 3.274 -8.219 1.00 5.37 H new ATOM 0 HA THR A 22 5.664 4.997 -6.121 1.00 6.01 H new ATOM 0 HB THR A 22 3.694 6.030 -7.027 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.872 5.259 -9.057 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.768 6.626 -9.243 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.979 6.529 -7.942 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.808 5.188 -9.100 1.00 9.65 H new ATOM 353 N ILE A 23 3.482 4.514 -4.648 1.00 8.32 N ATOM 354 CA ILE A 23 2.421 4.153 -3.779 1.00 9.92 C ATOM 355 C ILE A 23 1.131 3.851 -4.616 1.00 10.01 C ATOM 356 O ILE A 23 0.416 2.916 -4.347 1.00 8.71 O ATOM 357 CB ILE A 23 2.092 5.118 -2.737 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.360 5.654 -2.055 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.129 4.559 -1.653 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.154 4.505 -1.410 1.00 12.30 C ATOM 0 H ILE A 23 3.883 5.424 -4.423 1.00 8.32 H new ATOM 0 HA ILE A 23 2.787 3.271 -3.253 1.00 9.92 H new ATOM 0 HB ILE A 23 1.573 5.927 -3.250 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.983 6.168 -2.786 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.089 6.387 -1.295 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.929 5.332 -0.911 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.193 4.253 -2.121 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.589 3.699 -1.166 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.049 4.904 -0.932 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.534 4.009 -0.663 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.443 3.787 -2.177 1.00 12.30 H new ATOM 372 N GLU A 24 0.887 4.617 -5.741 1.00 9.54 N ATOM 373 CA GLU A 24 -0.166 4.341 -6.698 1.00 11.81 C ATOM 374 C GLU A 24 -0.069 2.982 -7.399 1.00 11.14 C ATOM 375 O GLU A 24 -1.036 2.243 -7.545 1.00 10.62 O ATOM 376 CB GLU A 24 -0.301 5.446 -7.752 1.00 19.24 C ATOM 377 CG GLU A 24 -1.315 5.161 -8.906 1.00 27.76 C ATOM 378 CD GLU A 24 -1.112 6.148 -10.082 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.506 7.328 -9.902 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.766 5.654 -11.188 1.00 36.51 O ATOM 0 H GLU A 24 1.440 5.441 -5.977 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.062 4.310 -6.079 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.599 6.367 -7.250 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.680 5.626 -8.191 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.190 4.138 -9.260 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.334 5.245 -8.528 1.00 27.76 H new ATOM 387 N ASN A 25 1.183 2.575 -7.842 1.00 9.43 N ATOM 388 CA ASN A 25 1.570 1.318 -8.503 1.00 10.96 C ATOM 389 C ASN A 25 1.378 0.223 -7.516 1.00 9.68 C ATOM 390 O ASN A 25 0.808 -0.786 -7.830 1.00 9.33 O ATOM 391 CB ASN A 25 2.994 1.361 -9.083 1.00 16.78 C ATOM 392 CG ASN A 25 3.261 0.149 -9.905 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.353 -0.243 -10.662 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.458 -0.495 -9.845 1.00 24.70 N ATOM 0 H ASN A 25 1.991 3.186 -7.723 1.00 9.43 H new ATOM 0 HA ASN A 25 0.938 1.146 -9.374 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.117 2.256 -9.693 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.721 1.425 -8.273 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.625 -1.316 -10.427 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.188 -0.157 -9.218 1.00 24.70 H new ATOM 401 N VAL A 26 1.748 0.395 -6.199 1.00 6.52 N ATOM 402 CA VAL A 26 1.457 -0.533 -5.113 1.00 5.53 C ATOM 403 C VAL A 26 -0.071 -0.772 -4.898 1.00 4.42 C ATOM 404 O VAL A 26 -0.567 -1.913 -4.864 1.00 3.40 O ATOM 405 CB VAL A 26 2.123 -0.208 -3.761 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.768 -1.212 -2.609 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.653 -0.135 -3.898 1.00 8.12 C ATOM 0 H VAL A 26 2.269 1.214 -5.886 1.00 6.52 H new ATOM 0 HA VAL A 26 1.917 -1.454 -5.471 1.00 5.53 H new ATOM 0 HB VAL A 26 1.716 0.764 -3.481 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.278 -0.911 -1.694 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.691 -1.209 -2.443 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.089 -2.215 -2.889 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.095 0.096 -2.928 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.033 -1.094 -4.251 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.918 0.645 -4.612 1.00 8.12 H new ATOM 417 N LYS A 27 -0.876 0.271 -4.806 1.00 2.64 N ATOM 418 CA LYS A 27 -2.306 0.229 -4.683 1.00 4.14 C ATOM 419 C LYS A 27 -3.035 -0.417 -5.917 1.00 5.58 C ATOM 420 O LYS A 27 -3.870 -1.277 -5.734 1.00 4.11 O ATOM 421 CB LYS A 27 -3.021 1.562 -4.427 1.00 3.97 C ATOM 422 CG LYS A 27 -2.542 2.198 -3.084 1.00 7.45 C ATOM 423 CD LYS A 27 -3.352 3.487 -2.782 1.00 9.02 C ATOM 424 CE LYS A 27 -3.265 4.712 -3.782 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.245 5.739 -3.381 1.00 15.47 N ATOM 0 H LYS A 27 -0.517 1.226 -4.817 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.390 -0.390 -3.789 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.825 2.249 -5.250 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.099 1.402 -4.395 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.665 1.483 -2.270 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.479 2.433 -3.143 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.401 3.203 -2.703 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.044 3.844 -1.799 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.259 5.131 -3.775 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.465 4.380 -4.801 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.078 6.610 -3.925 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.207 5.393 -3.569 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.142 5.940 -2.366 1.00 15.47 H new ATOM 439 N ALA A 28 -2.537 -0.192 -7.132 1.00 6.61 N ATOM 440 CA ALA A 28 -2.911 -0.978 -8.278 1.00 7.74 C ATOM 441 C ALA A 28 -2.566 -2.531 -8.204 1.00 9.17 C ATOM 442 O ALA A 28 -3.356 -3.366 -8.596 1.00 11.45 O ATOM 443 CB ALA A 28 -2.287 -0.306 -9.552 1.00 7.68 C ATOM 0 H ALA A 28 -1.862 0.545 -7.337 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.000 -0.977 -8.317 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.556 -0.883 -10.437 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.669 0.710 -9.652 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.202 -0.277 -9.454 1.00 7.68 H new ATOM 449 N LYS A 29 -1.393 -2.854 -7.679 1.00 8.96 N ATOM 450 CA LYS A 29 -1.070 -4.239 -7.390 1.00 7.90 C ATOM 451 C LYS A 29 -1.883 -4.882 -6.199 1.00 6.92 C ATOM 452 O LYS A 29 -2.056 -6.062 -6.061 1.00 6.87 O ATOM 453 CB LYS A 29 0.494 -4.342 -7.081 1.00 10.28 C ATOM 454 CG LYS A 29 1.346 -4.015 -8.322 1.00 14.94 C ATOM 455 CD LYS A 29 2.807 -4.110 -7.816 1.00 19.69 C ATOM 456 CE LYS A 29 3.801 -3.933 -8.998 1.00 22.63 C ATOM 457 NZ LYS A 29 5.233 -4.248 -8.589 1.00 24.98 N ATOM 0 H LYS A 29 -0.659 -2.184 -7.448 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.355 -4.809 -8.274 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.751 -3.657 -6.273 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.730 -5.348 -6.733 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.158 -4.721 -9.131 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.122 -3.021 -8.708 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.988 -3.344 -7.062 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.971 -5.075 -7.336 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.507 -4.585 -9.820 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.746 -2.909 -9.368 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.747 -4.645 -9.401 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.704 -3.376 -8.274 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.228 -4.938 -7.811 1.00 24.98 H new ATOM 471 N ILE A 30 -2.344 -4.080 -5.191 1.00 4.57 N ATOM 472 CA ILE A 30 -3.390 -4.552 -4.227 1.00 5.58 C ATOM 473 C ILE A 30 -4.678 -4.911 -4.966 1.00 7.26 C ATOM 474 O ILE A 30 -5.347 -5.875 -4.679 1.00 9.46 O ATOM 475 CB ILE A 30 -3.616 -3.520 -3.144 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.355 -3.531 -2.270 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.831 -3.815 -2.228 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.320 -2.314 -1.361 1.00 2.00 C ATOM 0 H ILE A 30 -2.018 -3.128 -5.026 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.039 -5.460 -3.737 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.820 -2.564 -3.627 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.331 -4.440 -1.669 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.468 -3.544 -2.903 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.922 -3.028 -1.480 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.740 -3.851 -2.829 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.687 -4.774 -1.730 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.418 -2.342 -0.750 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.320 -1.408 -1.966 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.197 -2.318 -0.713 1.00 2.00 H new ATOM 490 N GLN A 31 -5.081 -4.049 -5.931 1.00 7.06 N ATOM 491 CA GLN A 31 -6.228 -4.206 -6.775 1.00 8.67 C ATOM 492 C GLN A 31 -6.212 -5.466 -7.648 1.00 10.90 C ATOM 493 O GLN A 31 -7.265 -6.134 -7.785 1.00 9.63 O ATOM 494 CB GLN A 31 -6.532 -3.014 -7.722 1.00 9.12 C ATOM 495 CG GLN A 31 -7.865 -2.995 -8.476 1.00 10.76 C ATOM 496 CD GLN A 31 -8.089 -1.797 -9.411 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.158 -1.190 -9.959 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.373 -1.535 -9.705 1.00 14.76 N ATOM 0 H GLN A 31 -4.569 -3.190 -6.129 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.013 -4.277 -6.022 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.473 -2.100 -7.132 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.733 -2.968 -8.462 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.941 -3.910 -9.064 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.674 -3.018 -7.746 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.119 -2.051 -9.238 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.602 -0.820 -10.396 1.00 14.76 H new ATOM 507 N ASP A 32 -5.065 -5.747 -8.255 1.00 10.93 N ATOM 508 CA ASP A 32 -4.902 -7.023 -9.007 1.00 14.01 C ATOM 509 C ASP A 32 -5.199 -8.222 -8.145 1.00 14.04 C ATOM 510 O ASP A 32 -5.767 -9.236 -8.580 1.00 13.39 O ATOM 511 CB ASP A 32 -3.434 -7.066 -9.511 1.00 18.01 C ATOM 512 CG ASP A 32 -3.261 -8.163 -10.502 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.802 -8.054 -11.664 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.646 -9.227 -10.192 1.00 25.17 O ATOM 0 H ASP A 32 -4.245 -5.140 -8.254 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.607 -7.059 -9.837 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.170 -6.111 -9.965 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.758 -7.216 -8.670 1.00 18.01 H new ATOM 519 N LYS A 33 -4.779 -8.170 -6.863 1.00 14.22 N ATOM 520 CA LYS A 33 -5.027 -9.247 -5.925 1.00 14.00 C ATOM 521 C LYS A 33 -6.432 -9.336 -5.499 1.00 12.37 C ATOM 522 O LYS A 33 -7.202 -10.273 -5.717 1.00 12.17 O ATOM 523 CB LYS A 33 -4.118 -8.990 -4.674 1.00 18.62 C ATOM 524 CG LYS A 33 -2.634 -9.213 -5.060 1.00 24.00 C ATOM 525 CD LYS A 33 -2.128 -10.630 -4.566 1.00 27.61 C ATOM 526 CE LYS A 33 -0.744 -10.911 -5.193 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.162 -12.134 -4.596 1.00 30.06 N ATOM 0 H LYS A 33 -4.265 -7.382 -6.468 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.799 -10.192 -6.417 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.261 -7.973 -4.310 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.399 -9.662 -3.863 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.520 -9.139 -6.142 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.018 -8.429 -4.620 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.060 -10.648 -3.478 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.837 -11.406 -4.854 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.841 -11.033 -6.272 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.080 -10.063 -5.027 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.309 -12.691 -5.337 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.532 -11.869 -3.868 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.918 -12.702 -4.163 1.00 30.06 H new ATOM 541 N GLU A 34 -6.845 -8.270 -4.748 1.00 10.11 N ATOM 542 CA GLU A 34 -8.034 -8.249 -3.908 1.00 10.07 C ATOM 543 C GLU A 34 -9.197 -7.527 -4.495 1.00 9.32 C ATOM 544 O GLU A 34 -10.292 -7.531 -3.934 1.00 11.61 O ATOM 545 CB GLU A 34 -7.720 -7.586 -2.478 1.00 14.77 C ATOM 546 CG GLU A 34 -6.873 -8.400 -1.451 1.00 18.75 C ATOM 547 CD GLU A 34 -7.499 -9.714 -1.034 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.354 -9.760 -0.098 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.200 -10.744 -1.652 1.00 25.19 O ATOM 0 H GLU A 34 -6.330 -7.390 -4.726 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.309 -9.299 -3.811 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.207 -6.641 -2.656 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.673 -7.347 -2.007 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.892 -8.598 -1.882 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.713 -7.788 -0.563 1.00 18.75 H new ATOM 556 N GLY A 35 -9.002 -6.858 -5.602 1.00 7.22 N ATOM 557 CA GLY A 35 -10.104 -6.292 -6.349 1.00 6.29 C ATOM 558 C GLY A 35 -10.497 -4.897 -5.953 1.00 6.93 C ATOM 559 O GLY A 35 -11.314 -4.234 -6.562 1.00 7.41 O ATOM 0 H GLY A 35 -8.083 -6.689 -6.012 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.842 -6.292 -7.407 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.971 -6.943 -6.235 1.00 6.29 H new ATOM 563 N ILE A 36 -9.854 -4.345 -4.901 1.00 5.86 N ATOM 564 CA ILE A 36 -10.126 -3.045 -4.309 1.00 6.07 C ATOM 565 C ILE A 36 -9.580 -1.870 -5.180 1.00 6.36 C ATOM 566 O ILE A 36 -8.391 -1.820 -5.410 1.00 6.18 O ATOM 567 CB ILE A 36 -9.614 -3.062 -2.877 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.972 -4.318 -2.022 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.051 -1.744 -2.189 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.090 -4.398 -0.755 1.00 9.49 C ATOM 0 H ILE A 36 -9.093 -4.831 -4.427 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.199 -2.858 -4.280 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.528 -3.135 -2.941 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.023 -4.279 -1.735 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.838 -5.219 -2.620 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.694 -1.735 -1.159 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.629 -0.895 -2.727 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.139 -1.673 -2.196 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.361 -5.282 -0.178 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.041 -4.461 -1.045 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.245 -3.507 -0.147 1.00 9.49 H new ATOM 582 N PRO A 37 -10.437 -0.963 -5.723 1.00 8.65 N ATOM 583 CA PRO A 37 -10.039 0.289 -6.330 1.00 9.18 C ATOM 584 C PRO A 37 -8.900 1.045 -5.642 1.00 9.85 C ATOM 585 O PRO A 37 -8.988 1.224 -4.399 1.00 8.51 O ATOM 586 CB PRO A 37 -11.361 1.130 -6.329 1.00 11.42 C ATOM 587 CG PRO A 37 -12.371 -0.026 -6.549 1.00 9.27 C ATOM 588 CD PRO A 37 -11.870 -1.020 -5.491 1.00 8.33 C ATOM 0 HA PRO A 37 -9.614 0.101 -7.316 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.524 1.661 -5.391 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.390 1.874 -7.125 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.402 0.282 -6.376 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.325 -0.433 -7.559 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.137 -0.716 -4.479 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.274 -2.021 -5.640 1.00 8.33 H new ATOM 596 N PRO A 38 -7.876 1.601 -6.297 1.00 8.71 N ATOM 597 CA PRO A 38 -6.864 2.468 -5.707 1.00 9.08 C ATOM 598 C PRO A 38 -7.231 3.692 -4.880 1.00 9.28 C ATOM 599 O PRO A 38 -6.424 4.091 -4.011 1.00 6.50 O ATOM 600 CB PRO A 38 -5.949 2.811 -6.915 1.00 10.31 C ATOM 601 CG PRO A 38 -5.922 1.514 -7.643 1.00 10.81 C ATOM 602 CD PRO A 38 -7.390 1.086 -7.581 1.00 12.00 C ATOM 0 HA PRO A 38 -6.417 1.913 -4.882 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.359 3.616 -7.525 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.954 3.126 -6.600 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.573 1.629 -8.669 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.265 0.789 -7.162 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.958 1.500 -8.414 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.489 0.002 -7.635 1.00 12.00 H new ATOM 610 N ASP A 39 -8.417 4.280 -5.070 1.00 11.20 N ATOM 611 CA ASP A 39 -8.874 5.455 -4.411 1.00 14.96 C ATOM 612 C ASP A 39 -9.853 5.139 -3.263 1.00 13.99 C ATOM 613 O ASP A 39 -10.117 5.901 -2.347 1.00 13.75 O ATOM 614 CB ASP A 39 -9.749 6.221 -5.378 1.00 24.16 C ATOM 615 CG ASP A 39 -8.913 7.058 -6.353 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.338 8.094 -5.903 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.801 6.651 -7.535 1.00 35.55 O ATOM 0 H ASP A 39 -9.103 3.910 -5.728 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.986 5.977 -4.055 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.371 5.523 -5.938 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.422 6.873 -4.822 1.00 24.16 H new ATOM 622 N GLN A 40 -10.234 3.902 -3.254 1.00 11.60 N ATOM 623 CA GLN A 40 -10.885 3.461 -1.994 1.00 10.76 C ATOM 624 C GLN A 40 -9.841 2.982 -0.922 1.00 8.01 C ATOM 625 O GLN A 40 -10.206 2.712 0.275 1.00 8.96 O ATOM 626 CB GLN A 40 -11.831 2.303 -2.171 1.00 11.14 C ATOM 627 CG GLN A 40 -13.031 2.790 -3.007 1.00 14.85 C ATOM 628 CD GLN A 40 -14.005 1.706 -3.261 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.870 0.559 -2.763 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.835 1.856 -4.298 1.00 18.16 N ATOM 0 H GLN A 40 -10.136 3.216 -4.003 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.427 4.349 -1.670 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.329 1.475 -2.671 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.167 1.934 -1.202 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.527 3.609 -2.486 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.674 3.187 -3.957 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.963 2.776 -4.720 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.341 1.051 -4.667 1.00 18.16 H new ATOM 639 N GLN A 41 -8.538 2.955 -1.231 1.00 6.52 N ATOM 640 CA GLN A 41 -7.548 2.517 -0.283 1.00 3.87 C ATOM 641 C GLN A 41 -6.809 3.640 0.426 1.00 4.79 C ATOM 642 O GLN A 41 -6.676 4.791 -0.036 1.00 6.34 O ATOM 643 CB GLN A 41 -6.374 1.782 -0.965 1.00 4.20 C ATOM 644 CG GLN A 41 -7.034 0.566 -1.676 1.00 3.20 C ATOM 645 CD GLN A 41 -5.967 -0.183 -2.535 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.821 -0.421 -2.082 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.317 -0.534 -3.779 1.00 7.13 N ATOM 0 H GLN A 41 -8.161 3.235 -2.136 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.146 1.910 0.396 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.862 2.428 -1.678 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.631 1.460 -0.236 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.461 -0.112 -0.937 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.854 0.904 -2.310 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.255 -0.328 -4.122 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.645 -1.007 -4.384 1.00 7.13 H new ATOM 656 N ARG A 42 -6.134 3.253 1.514 1.00 5.73 N ATOM 657 CA ARG A 42 -5.183 4.054 2.259 1.00 6.97 C ATOM 658 C ARG A 42 -4.190 3.115 2.832 1.00 7.15 C ATOM 659 O ARG A 42 -4.503 2.086 3.407 1.00 7.33 O ATOM 660 CB ARG A 42 -5.779 4.885 3.351 1.00 13.23 C ATOM 661 CG ARG A 42 -6.357 6.241 2.856 1.00 21.27 C ATOM 662 CD ARG A 42 -6.926 7.039 4.011 1.00 26.14 C ATOM 663 NE ARG A 42 -7.055 8.365 3.480 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.977 9.201 3.929 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.890 8.784 4.861 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.911 10.507 3.728 1.00 36.39 N ATOM 0 H ARG A 42 -6.250 2.321 1.912 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.743 4.775 1.570 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.572 4.317 3.837 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.017 5.078 4.106 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.574 6.816 2.362 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.136 6.060 2.115 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.888 6.643 4.335 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.264 7.017 4.877 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.422 8.670 2.740 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.860 7.826 5.211 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.599 9.431 5.205 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.128 10.904 3.210 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.644 11.117 4.091 1.00 36.39 H new ATOM 680 N LEU A 43 -2.895 3.518 2.691 1.00 4.65 N ATOM 681 CA LEU A 43 -1.773 2.711 3.132 1.00 3.51 C ATOM 682 C LEU A 43 -0.975 3.433 4.220 1.00 5.56 C ATOM 683 O LEU A 43 -0.514 4.623 4.117 1.00 4.19 O ATOM 684 CB LEU A 43 -0.887 2.287 1.854 1.00 3.74 C ATOM 685 CG LEU A 43 -1.658 1.404 0.863 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.712 1.261 -0.329 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.040 0.093 1.497 1.00 6.41 C ATOM 0 H LEU A 43 -2.625 4.407 2.270 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.131 1.792 3.596 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.543 3.186 1.342 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.001 1.754 2.194 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.610 1.831 0.548 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.181 0.642 -1.093 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.496 2.246 -0.742 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.217 0.793 -0.002 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.585 -0.515 0.775 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.140 -0.436 1.810 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.672 0.279 2.365 1.00 6.41 H new ATOM 699 N ILE A 44 -0.850 2.689 5.355 1.00 4.58 N ATOM 700 CA ILE A 44 -0.309 3.219 6.545 1.00 5.55 C ATOM 701 C ILE A 44 0.965 2.399 6.963 1.00 5.46 C ATOM 702 O ILE A 44 0.932 1.179 7.123 1.00 6.04 O ATOM 703 CB ILE A 44 -1.257 3.306 7.789 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.700 3.665 7.434 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.579 4.247 8.804 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.855 5.050 6.687 1.00 13.90 C ATOM 0 H ILE A 44 -1.134 1.712 5.425 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.090 4.253 6.279 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.383 2.324 8.246 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.115 2.877 6.806 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.293 3.689 8.348 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.206 4.338 9.691 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.392 3.839 9.086 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.442 5.230 8.354 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.908 5.231 6.471 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.472 5.850 7.321 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.292 5.025 5.754 1.00 13.90 H new ATOM 718 N PHE A 45 2.080 3.128 7.117 1.00 6.75 N ATOM 719 CA PHE A 45 3.340 2.545 7.512 1.00 4.70 C ATOM 720 C PHE A 45 4.084 3.569 8.350 1.00 6.34 C ATOM 721 O PHE A 45 4.132 4.717 8.071 1.00 5.45 O ATOM 722 CB PHE A 45 4.132 2.040 6.256 1.00 5.51 C ATOM 723 CG PHE A 45 5.381 1.244 6.646 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.347 0.076 7.450 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.661 1.820 6.352 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.560 -0.489 7.960 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.819 1.170 6.712 1.00 6.64 C ATOM 728 CZ PHE A 45 7.794 0.080 7.545 1.00 6.84 C ATOM 0 H PHE A 45 2.118 4.136 6.968 1.00 6.75 H new ATOM 0 HA PHE A 45 3.196 1.656 8.126 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.481 1.416 5.644 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.423 2.894 5.644 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.400 -0.390 7.679 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.716 2.771 5.844 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.537 -1.326 8.642 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.766 1.524 6.332 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.723 -0.350 7.889 1.00 6.84 H new ATOM 738 N ALA A 46 4.690 3.105 9.477 1.00 6.53 N ATOM 739 CA ALA A 46 5.478 3.966 10.414 1.00 7.15 C ATOM 740 C ALA A 46 4.746 5.258 10.812 1.00 9.00 C ATOM 741 O ALA A 46 5.359 6.295 10.898 1.00 11.15 O ATOM 742 CB ALA A 46 6.889 4.187 9.829 1.00 8.99 C ATOM 0 H ALA A 46 4.649 2.127 9.764 1.00 6.53 H new ATOM 0 HA ALA A 46 5.591 3.446 11.365 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.470 4.814 10.506 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.387 3.225 9.708 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.808 4.679 8.859 1.00 8.99 H new ATOM 748 N GLY A 47 3.477 5.244 11.208 1.00 9.35 N ATOM 749 CA GLY A 47 2.729 6.488 11.547 1.00 11.68 C ATOM 750 C GLY A 47 2.526 7.492 10.439 1.00 11.14 C ATOM 751 O GLY A 47 2.098 8.656 10.685 1.00 13.93 O ATOM 0 H GLY A 47 2.928 4.390 11.308 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.749 6.200 11.926 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.253 6.986 12.363 1.00 11.68 H new ATOM 755 N LYS A 48 2.844 7.122 9.146 1.00 10.47 N ATOM 756 CA LYS A 48 2.681 7.987 7.979 1.00 8.82 C ATOM 757 C LYS A 48 1.735 7.312 6.962 1.00 7.68 C ATOM 758 O LYS A 48 1.861 6.110 6.607 1.00 6.47 O ATOM 759 CB LYS A 48 4.025 8.232 7.244 1.00 9.74 C ATOM 760 CG LYS A 48 5.068 8.901 8.133 1.00 14.14 C ATOM 761 CD LYS A 48 6.502 8.984 7.463 1.00 16.32 C ATOM 762 CE LYS A 48 7.580 9.775 8.268 1.00 20.04 C ATOM 763 NZ LYS A 48 7.311 11.266 8.335 1.00 23.92 N ATOM 0 H LYS A 48 3.221 6.203 8.915 1.00 10.47 H new ATOM 0 HA LYS A 48 2.284 8.935 8.342 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.417 7.280 6.884 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.847 8.855 6.368 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.732 9.908 8.381 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.144 8.350 9.070 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.867 7.970 7.302 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.398 9.445 6.481 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.630 9.377 9.281 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.556 9.610 7.812 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.063 11.730 8.883 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.291 11.659 7.372 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.394 11.433 8.796 1.00 23.92 H new ATOM 777 N GLN A 49 0.801 8.089 6.430 1.00 8.89 N ATOM 778 CA GLN A 49 -0.060 7.706 5.318 1.00 7.18 C ATOM 779 C GLN A 49 0.659 7.841 4.004 1.00 8.23 C ATOM 780 O GLN A 49 1.172 8.907 3.674 1.00 9.70 O ATOM 781 CB GLN A 49 -1.262 8.709 5.340 1.00 11.67 C ATOM 782 CG GLN A 49 -2.294 8.275 4.252 1.00 15.82 C ATOM 783 CD GLN A 49 -3.572 9.147 4.427 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.483 8.646 5.092 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.611 10.475 4.069 1.00 20.67 N ATOM 0 H GLN A 49 0.616 9.032 6.771 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.375 6.667 5.419 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.731 8.716 6.324 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.912 9.723 5.146 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.875 8.408 3.255 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.537 7.218 4.357 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.852 10.877 3.519 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.399 11.057 4.353 1.00 20.67 H new ATOM 794 N LEU A 50 0.824 6.795 3.210 1.00 6.51 N ATOM 795 CA LEU A 50 1.722 6.861 2.105 1.00 7.41 C ATOM 796 C LEU A 50 1.046 7.461 0.865 1.00 8.27 C ATOM 797 O LEU A 50 -0.079 7.144 0.557 1.00 8.34 O ATOM 798 CB LEU A 50 2.176 5.453 1.706 1.00 7.13 C ATOM 799 CG LEU A 50 2.678 4.598 2.908 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.408 3.360 2.422 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.679 5.348 3.861 1.00 9.11 C ATOM 0 H LEU A 50 0.344 5.902 3.322 1.00 6.51 H new ATOM 0 HA LEU A 50 2.560 7.482 2.422 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.347 4.936 1.223 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.975 5.533 0.968 1.00 7.13 H new ATOM 0 HG LEU A 50 1.770 4.359 3.462 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.749 2.779 3.279 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.733 2.754 1.818 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.267 3.657 1.820 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.979 4.682 4.670 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.560 5.652 3.296 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.193 6.230 4.278 1.00 9.11 H new ATOM 813 N GLU A 51 1.761 8.358 0.140 1.00 9.43 N ATOM 814 CA GLU A 51 1.192 9.282 -0.856 1.00 11.90 C ATOM 815 C GLU A 51 1.454 8.694 -2.294 1.00 11.49 C ATOM 816 O GLU A 51 2.582 8.358 -2.696 1.00 9.88 O ATOM 817 CB GLU A 51 1.942 10.654 -0.883 1.00 16.56 C ATOM 818 CG GLU A 51 1.419 11.560 0.279 1.00 26.06 C ATOM 819 CD GLU A 51 2.128 12.880 0.162 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.381 12.916 0.239 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.392 13.855 -0.116 1.00 33.44 O ATOM 0 H GLU A 51 2.771 8.456 0.239 1.00 9.43 H new ATOM 0 HA GLU A 51 0.141 9.408 -0.597 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.015 10.495 -0.779 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.784 11.148 -1.842 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.340 11.695 0.207 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.619 11.100 1.247 1.00 26.06 H new ATOM 828 N ASP A 52 0.435 8.695 -3.090 1.00 12.71 N ATOM 829 CA ASP A 52 0.216 8.129 -4.427 1.00 16.56 C ATOM 830 C ASP A 52 1.442 8.189 -5.370 1.00 15.83 C ATOM 831 O ASP A 52 1.862 7.169 -5.921 1.00 17.21 O ATOM 832 CB ASP A 52 -1.050 8.763 -5.101 1.00 21.05 C ATOM 833 CG ASP A 52 -2.310 8.375 -4.399 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.435 8.729 -3.168 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.200 7.721 -5.051 1.00 28.37 O ATOM 0 H ASP A 52 -0.416 9.167 -2.784 1.00 12.71 H new ATOM 0 HA ASP A 52 0.044 7.065 -4.262 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.955 9.849 -5.102 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.103 8.447 -6.143 1.00 21.05 H new ATOM 840 N GLY A 53 2.030 9.396 -5.500 1.00 15.00 N ATOM 841 CA GLY A 53 3.052 9.741 -6.426 1.00 11.77 C ATOM 842 C GLY A 53 4.522 9.717 -5.868 1.00 11.10 C ATOM 843 O GLY A 53 5.476 10.205 -6.523 1.00 11.25 O ATOM 0 H GLY A 53 1.765 10.184 -4.909 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.994 9.057 -7.273 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.846 10.740 -6.809 1.00 11.77 H new ATOM 847 N ARG A 54 4.632 9.270 -4.621 1.00 8.53 N ATOM 848 CA ARG A 54 5.937 9.122 -3.979 1.00 9.05 C ATOM 849 C ARG A 54 6.166 7.631 -4.141 1.00 8.96 C ATOM 850 O ARG A 54 5.303 6.897 -4.628 1.00 11.60 O ATOM 851 CB ARG A 54 6.014 9.382 -2.458 1.00 7.97 C ATOM 852 CG ARG A 54 5.182 10.639 -2.039 1.00 9.62 C ATOM 853 CD ARG A 54 5.900 11.983 -2.327 1.00 12.20 C ATOM 854 NE ARG A 54 4.963 13.087 -1.969 1.00 18.23 N ATOM 855 CZ ARG A 54 4.087 13.603 -2.909 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.261 13.474 -4.192 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.026 14.186 -2.416 1.00 23.38 N ATOM 0 H ARG A 54 3.839 9.005 -4.036 1.00 8.53 H new ATOM 0 HA ARG A 54 6.631 9.838 -4.419 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.646 8.508 -1.921 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.055 9.521 -2.166 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.228 10.626 -2.567 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.958 10.577 -0.974 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.818 12.058 -1.745 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.183 12.048 -3.378 1.00 12.20 H new ATOM 0 HE ARG A 54 4.968 13.466 -1.022 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.075 12.973 -4.548 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.584 13.874 -4.841 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.894 14.234 -1.406 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.330 14.593 -3.042 1.00 23.38 H new ATOM 871 N THR A 55 7.330 7.182 -3.765 1.00 9.05 N ATOM 872 CA THR A 55 7.775 5.826 -4.005 1.00 9.03 C ATOM 873 C THR A 55 8.247 5.209 -2.691 1.00 8.15 C ATOM 874 O THR A 55 8.356 5.860 -1.649 1.00 5.91 O ATOM 875 CB THR A 55 8.930 5.685 -5.014 1.00 11.15 C ATOM 876 OG1 THR A 55 10.155 6.307 -4.666 1.00 11.95 O ATOM 877 CG2 THR A 55 8.511 6.336 -6.343 1.00 11.71 C ATOM 0 H THR A 55 8.015 7.755 -3.272 1.00 9.05 H new ATOM 0 HA THR A 55 6.910 5.318 -4.432 1.00 9.03 H new ATOM 0 HB THR A 55 9.108 4.610 -5.055 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.977 7.198 -4.300 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.322 6.242 -7.066 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.622 5.837 -6.728 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.292 7.391 -6.178 1.00 11.71 H new ATOM 885 N LEU A 56 8.450 3.857 -2.714 1.00 6.91 N ATOM 886 CA LEU A 56 8.901 3.097 -1.568 1.00 8.29 C ATOM 887 C LEU A 56 10.228 3.535 -0.892 1.00 8.05 C ATOM 888 O LEU A 56 10.252 3.556 0.297 1.00 10.17 O ATOM 889 CB LEU A 56 8.917 1.629 -2.038 1.00 6.60 C ATOM 890 CG LEU A 56 7.520 1.058 -2.272 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.677 -0.330 -2.882 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.697 0.898 -0.971 1.00 8.64 C ATOM 0 H LEU A 56 8.297 3.287 -3.546 1.00 6.91 H new ATOM 0 HA LEU A 56 8.211 3.278 -0.744 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.492 1.556 -2.961 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.431 1.021 -1.293 1.00 6.60 H new ATOM 0 HG LEU A 56 6.990 1.756 -2.920 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.693 -0.763 -3.060 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.216 -0.254 -3.826 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.235 -0.968 -2.196 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.716 0.488 -1.209 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.217 0.223 -0.292 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.578 1.871 -0.494 1.00 8.64 H new ATOM 904 N SER A 57 11.186 3.999 -1.718 1.00 8.92 N ATOM 905 CA SER A 57 12.436 4.528 -1.266 1.00 9.00 C ATOM 906 C SER A 57 12.318 5.813 -0.586 1.00 9.44 C ATOM 907 O SER A 57 13.221 6.292 0.132 1.00 10.91 O ATOM 908 CB SER A 57 13.462 4.609 -2.451 1.00 10.32 C ATOM 909 OG SER A 57 13.013 5.320 -3.610 1.00 13.59 O ATOM 0 H SER A 57 11.086 4.006 -2.733 1.00 8.92 H new ATOM 0 HA SER A 57 12.809 3.830 -0.516 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.374 5.082 -2.087 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.727 3.594 -2.749 1.00 10.32 H new ATOM 0 HG SER A 57 13.719 5.317 -4.290 1.00 13.59 H new ATOM 915 N ASP A 58 11.131 6.492 -0.731 1.00 9.11 N ATOM 916 CA ASP A 58 10.972 7.759 -0.069 1.00 7.91 C ATOM 917 C ASP A 58 10.413 7.604 1.374 1.00 9.12 C ATOM 918 O ASP A 58 10.373 8.556 2.184 1.00 8.61 O ATOM 919 CB ASP A 58 9.966 8.676 -0.870 1.00 8.41 C ATOM 920 CG ASP A 58 10.465 8.914 -2.206 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.632 9.486 -2.276 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.896 8.478 -3.268 1.00 11.70 O ATOM 0 H ASP A 58 10.331 6.174 -1.278 1.00 9.11 H new ATOM 0 HA ASP A 58 11.965 8.207 -0.025 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.987 8.199 -0.919 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.833 9.624 -0.349 1.00 8.41 H new ATOM 927 N TYR A 59 10.049 6.389 1.758 1.00 7.97 N ATOM 928 CA TYR A 59 9.554 6.033 3.109 1.00 8.45 C ATOM 929 C TYR A 59 10.339 4.956 3.772 1.00 10.98 C ATOM 930 O TYR A 59 10.017 4.491 4.831 1.00 12.95 O ATOM 931 CB TYR A 59 8.092 5.513 2.966 1.00 7.94 C ATOM 932 CG TYR A 59 7.195 6.563 2.478 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.867 7.565 3.315 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.596 6.520 1.181 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.905 8.544 2.952 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.663 7.476 0.841 1.00 6.52 C ATOM 937 CZ TYR A 59 5.346 8.494 1.726 1.00 6.76 C ATOM 938 OH TYR A 59 4.580 9.555 1.271 1.00 7.63 O ATOM 0 H TYR A 59 10.086 5.588 1.128 1.00 7.97 H new ATOM 0 HA TYR A 59 9.638 6.930 3.722 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.071 4.667 2.279 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.738 5.150 3.931 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.345 7.625 4.282 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.871 5.749 0.477 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.624 9.319 3.649 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.176 7.431 -0.122 1.00 6.52 H new ATOM 0 HH TYR A 59 4.904 10.388 1.672 1.00 7.63 H new ATOM 948 N ASN A 60 11.500 4.620 3.172 1.00 12.38 N ATOM 949 CA ASN A 60 12.422 3.562 3.586 1.00 13.94 C ATOM 950 C ASN A 60 11.815 2.239 3.782 1.00 14.16 C ATOM 951 O ASN A 60 11.772 1.752 4.874 1.00 14.26 O ATOM 952 CB ASN A 60 13.298 4.133 4.818 1.00 19.23 C ATOM 953 CG ASN A 60 14.137 5.301 4.393 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.490 5.558 3.222 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.387 6.140 5.474 1.00 24.09 N ATOM 0 H ASN A 60 11.830 5.111 2.341 1.00 12.38 H new ATOM 0 HA ASN A 60 13.096 3.326 2.762 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.636 4.434 5.630 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.940 3.343 5.207 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.884 7.020 5.333 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.074 5.876 6.408 1.00 24.09 H new ATOM 962 N ILE A 61 11.182 1.686 2.691 1.00 11.08 N ATOM 963 CA ILE A 61 10.438 0.447 2.843 1.00 11.78 C ATOM 964 C ILE A 61 11.242 -0.663 2.335 1.00 13.74 C ATOM 965 O ILE A 61 11.741 -0.685 1.208 1.00 14.60 O ATOM 966 CB ILE A 61 9.049 0.590 2.208 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.267 1.703 2.921 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.280 -0.763 2.363 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.914 2.017 2.350 1.00 11.42 C ATOM 0 H ILE A 61 11.187 2.080 1.750 1.00 11.08 H new ATOM 0 HA ILE A 61 10.248 0.221 3.892 1.00 11.78 H new ATOM 0 HB ILE A 61 9.152 0.842 1.153 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.143 1.422 3.967 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.868 2.612 2.904 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.291 -0.673 1.915 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.834 -1.556 1.861 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.178 -1.005 3.421 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.451 2.816 2.929 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.022 2.336 1.313 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.286 1.127 2.393 1.00 11.42 H new ATOM 981 N GLN A 62 11.441 -1.758 3.141 1.00 13.97 N ATOM 982 CA GLN A 62 12.293 -2.869 2.815 1.00 15.52 C ATOM 983 C GLN A 62 11.592 -4.190 2.536 1.00 13.94 C ATOM 984 O GLN A 62 10.404 -4.356 2.906 1.00 12.15 O ATOM 985 CB GLN A 62 13.182 -3.236 4.060 1.00 19.53 C ATOM 986 CG GLN A 62 13.787 -2.012 4.791 1.00 26.38 C ATOM 987 CD GLN A 62 14.697 -1.112 4.001 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.350 0.070 3.775 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.917 -1.592 3.742 1.00 32.71 N ATOM 0 H GLN A 62 10.986 -1.858 4.048 1.00 13.97 H new ATOM 0 HA GLN A 62 12.814 -2.518 1.924 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.579 -3.806 4.767 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.993 -3.888 3.734 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.964 -1.407 5.172 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.342 -2.377 5.655 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.136 -2.566 3.950 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.629 -0.984 3.336 1.00 32.71 H new ATOM 998 N LYS A 63 12.301 -5.267 2.100 1.00 11.73 N ATOM 999 CA LYS A 63 11.669 -6.583 1.823 1.00 11.97 C ATOM 1000 C LYS A 63 11.004 -7.233 3.040 1.00 10.41 C ATOM 1001 O LYS A 63 11.541 -7.100 4.186 1.00 9.59 O ATOM 1002 CB LYS A 63 12.623 -7.609 1.079 1.00 13.73 C ATOM 1003 CG LYS A 63 13.904 -7.984 1.791 1.00 16.98 C ATOM 1004 CD LYS A 63 14.746 -9.080 1.105 1.00 20.19 C ATOM 1005 CE LYS A 63 16.048 -9.420 1.821 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.941 -10.494 1.156 1.00 25.97 N ATOM 0 H LYS A 63 13.307 -5.248 1.934 1.00 11.73 H new ATOM 0 HA LYS A 63 10.866 -6.332 1.130 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.059 -8.522 0.890 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.884 -7.188 0.108 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.518 -7.089 1.894 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.655 -8.318 2.798 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.144 -9.985 1.024 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.978 -8.759 0.089 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.632 -8.505 1.921 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.805 -9.755 2.830 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.795 -10.640 1.731 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.414 -11.388 1.085 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.215 -10.177 0.204 1.00 25.97 H new ATOM 1020 N GLU A 64 9.853 -7.822 2.818 1.00 10.04 N ATOM 1021 CA GLU A 64 9.096 -8.534 3.814 1.00 10.94 C ATOM 1022 C GLU A 64 8.688 -7.818 5.084 1.00 9.74 C ATOM 1023 O GLU A 64 8.394 -8.423 6.147 1.00 9.42 O ATOM 1024 CB GLU A 64 9.808 -9.950 4.052 1.00 18.31 C ATOM 1025 CG GLU A 64 9.977 -10.871 2.850 1.00 24.16 C ATOM 1026 CD GLU A 64 10.663 -12.131 3.266 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.093 -13.041 3.821 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.909 -12.226 3.095 1.00 32.61 O ATOM 0 H GLU A 64 9.403 -7.817 1.903 1.00 10.04 H new ATOM 0 HA GLU A 64 8.098 -8.654 3.393 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.796 -9.762 4.471 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.238 -10.489 4.809 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.003 -11.102 2.419 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.557 -10.369 2.076 1.00 24.16 H new ATOM 1035 N SER A 65 8.600 -6.464 4.936 1.00 6.85 N ATOM 1036 CA SER A 65 7.987 -5.506 5.838 1.00 6.90 C ATOM 1037 C SER A 65 6.500 -5.581 5.775 1.00 4.72 C ATOM 1038 O SER A 65 5.936 -6.310 4.987 1.00 3.91 O ATOM 1039 CB SER A 65 8.584 -4.127 5.437 1.00 7.28 C ATOM 1040 OG SER A 65 8.330 -3.096 6.384 1.00 10.56 O ATOM 0 H SER A 65 8.992 -6.004 4.115 1.00 6.85 H new ATOM 0 HA SER A 65 8.205 -5.707 6.887 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.661 -4.231 5.307 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.174 -3.830 4.472 1.00 7.28 H new ATOM 0 HG SER A 65 8.733 -2.259 6.072 1.00 10.56 H new ATOM 1046 N THR A 66 5.740 -4.815 6.620 1.00 4.48 N ATOM 1047 CA THR A 66 4.330 -5.002 6.829 1.00 3.80 C ATOM 1048 C THR A 66 3.703 -3.649 6.765 1.00 4.60 C ATOM 1049 O THR A 66 3.929 -2.817 7.621 1.00 5.33 O ATOM 1050 CB THR A 66 3.972 -5.741 8.120 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.509 -7.023 8.029 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.412 -5.895 8.361 1.00 3.40 C ATOM 0 H THR A 66 6.129 -4.047 7.167 1.00 4.48 H new ATOM 0 HA THR A 66 3.942 -5.659 6.051 1.00 3.80 H new ATOM 0 HB THR A 66 4.371 -5.156 8.949 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.298 -7.525 8.844 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.239 -6.429 9.295 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.953 -4.908 8.417 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.970 -6.454 7.536 1.00 3.40 H new ATOM 1060 N LEU A 67 2.817 -3.409 5.724 1.00 4.17 N ATOM 1061 CA LEU A 67 1.988 -2.199 5.538 1.00 3.85 C ATOM 1062 C LEU A 67 0.535 -2.499 6.000 1.00 3.80 C ATOM 1063 O LEU A 67 -0.021 -3.524 5.737 1.00 5.54 O ATOM 1064 CB LEU A 67 1.979 -1.710 4.084 1.00 7.18 C ATOM 1065 CG LEU A 67 3.341 -1.646 3.337 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.996 -1.173 1.912 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.467 -0.672 3.891 1.00 11.66 C ATOM 0 H LEU A 67 2.674 -4.091 4.979 1.00 4.17 H new ATOM 0 HA LEU A 67 2.425 -1.403 6.141 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.314 -2.360 3.515 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.540 -0.712 4.068 1.00 7.18 H new ATOM 0 HG LEU A 67 3.782 -2.637 3.445 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.909 -1.103 1.321 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.316 -1.887 1.446 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.518 -0.194 1.959 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.353 -0.744 3.260 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.098 0.353 3.882 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.724 -0.956 4.911 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.084 -1.569 6.739 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.479 -1.638 7.008 1.00 4.17 C ATOM 1081 C HIS A 68 -2.314 -1.095 5.852 1.00 5.32 C ATOM 1082 O HIS A 68 -2.016 -0.135 5.195 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.871 -0.874 8.296 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.499 -1.640 9.457 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.217 -1.821 9.891 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.310 -2.224 10.398 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.306 -2.432 11.084 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.531 -2.703 11.439 1.00 16.30 N ATOM 0 H HIS A 68 0.386 -0.764 7.153 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.692 -2.698 7.143 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.376 0.097 8.317 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.944 -0.685 8.304 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.386 -2.298 10.337 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.554 -2.675 11.690 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.846 -3.165 12.292 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.471 -1.762 5.589 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.461 -1.304 4.673 1.00 3.97 C ATOM 1098 C LEU A 69 -5.647 -0.894 5.357 1.00 5.07 C ATOM 1099 O LEU A 69 -6.199 -1.678 6.121 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.691 -2.357 3.562 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.846 -2.025 2.610 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.743 -0.717 1.775 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.122 -3.231 1.666 1.00 9.96 C ATOM 0 H LEU A 69 -3.712 -2.647 6.035 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.105 -0.407 4.166 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.775 -2.461 2.981 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.885 -3.323 4.028 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.678 -1.830 3.287 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.629 -0.614 1.149 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.672 0.139 2.446 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.855 -0.757 1.144 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.944 -2.986 0.993 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.228 -3.448 1.082 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.388 -4.105 2.261 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.080 0.391 5.194 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.335 0.872 5.793 1.00 6.26 C ATOM 1117 C VAL A 70 -8.096 1.473 4.619 1.00 9.22 C ATOM 1118 O VAL A 70 -7.544 1.784 3.574 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.055 1.836 6.897 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.206 1.191 8.019 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.489 3.253 6.505 1.00 8.54 C ATOM 0 H VAL A 70 -5.575 1.096 4.656 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.926 0.092 6.272 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.056 2.063 7.264 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.023 1.924 8.804 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.742 0.338 8.436 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.254 0.855 7.608 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.334 3.845 7.407 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.540 3.134 5.982 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.201 3.762 5.855 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.422 1.523 4.768 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.201 1.892 3.628 1.00 16.06 C ATOM 1133 C LEU A 71 -10.778 3.283 3.758 1.00 18.09 C ATOM 1134 O LEU A 71 -11.044 3.890 4.818 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.204 0.781 3.174 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.596 -0.583 2.898 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.738 -1.586 2.544 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.598 -0.528 1.717 1.00 19.57 C ATOM 0 H LEU A 71 -9.939 1.322 5.624 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.519 1.961 2.781 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.967 0.669 3.945 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.711 1.122 2.271 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.058 -0.904 3.790 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.310 -2.568 2.344 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.433 -1.656 3.381 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.269 -1.235 1.659 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.181 -1.521 1.546 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.116 -0.192 0.818 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.793 0.168 1.953 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.078 3.865 2.601 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.448 5.263 2.419 1.00 25.83 C ATOM 1152 C ARG A 72 -12.707 5.217 1.621 1.00 27.74 C ATOM 1153 O ARG A 72 -12.942 4.403 0.776 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.340 5.892 1.559 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.462 7.419 1.347 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.317 8.096 0.573 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.492 9.589 0.498 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.604 10.404 -0.047 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -7.541 9.937 -0.707 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.741 11.692 0.066 1.00 35.02 N ATOM 0 H ARG A 72 -11.069 3.348 1.722 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.573 5.819 3.348 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.377 5.681 2.024 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.337 5.404 0.584 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.395 7.617 0.819 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.541 7.894 2.325 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.367 7.866 1.056 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.269 7.686 -0.436 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.342 9.995 0.889 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.400 8.931 -0.800 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.870 10.586 -1.118 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.535 12.078 0.576 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.054 12.317 -0.356 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.558 6.191 1.940 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.801 6.449 1.358 1.00 30.76 C ATOM 1176 C LEU A 73 -14.744 7.852 0.774 1.00 32.18 C ATOM 1177 O LEU A 73 -14.064 8.783 1.249 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.948 6.431 2.410 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.261 5.065 3.025 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.862 5.123 4.431 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.154 4.221 2.028 1.00 29.11 C ATOM 0 H LEU A 73 -13.342 6.857 2.681 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.002 5.682 0.610 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.690 7.121 3.214 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.854 6.814 1.940 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.305 4.561 3.169 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.052 4.111 4.788 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.164 5.620 5.105 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.799 5.679 4.404 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.374 3.249 2.470 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.086 4.752 1.836 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.617 4.079 1.090 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.569 7.940 -0.326 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.632 9.173 -1.129 1.00 35.33 C ATOM 1195 C ARG A 74 -16.238 10.272 -0.339 1.00 36.22 C ATOM 1196 O ARG A 74 -17.151 10.083 0.457 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.424 9.026 -2.413 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.747 8.006 -3.372 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.393 7.889 -4.765 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.824 7.430 -4.585 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.294 6.205 -4.377 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.609 5.101 -4.656 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -19.524 6.014 -3.856 1.00 41.93 N ATOM 0 H ARG A 74 -16.174 7.186 -0.653 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.600 9.397 -1.397 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.438 8.697 -2.184 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.507 9.994 -2.906 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.701 8.287 -3.496 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.759 7.024 -2.900 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.364 8.849 -5.280 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.841 7.180 -5.382 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.528 8.167 -4.630 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.671 5.169 -5.051 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.021 4.186 -4.475 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -20.106 6.816 -3.616 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -19.871 5.067 -3.702 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.769 11.437 -0.589 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.222 12.650 0.102 1.00 36.07 C ATOM 1219 C GLY A 75 -15.254 13.178 1.183 1.00 36.16 C ATOM 1220 O GLY A 75 -15.584 14.039 1.982 1.00 36.26 O ATOM 0 H GLY A 75 -15.045 11.609 -1.287 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.382 13.435 -0.638 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.187 12.448 0.566 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.038 12.670 1.177 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.949 13.045 2.030 1.00 36.19 C ATOM 1226 C GLY A 76 -11.697 12.432 1.576 1.00 36.20 C ATOM 1227 O GLY A 76 -10.701 13.162 1.411 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.652 11.168 1.440 1.00 0.00 O ATOM 0 H GLY A 76 -13.775 11.931 0.525 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.845 14.130 2.039 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.160 12.736 3.054 1.00 36.19 H new TER 1232 GLY A 76