USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= -0.0291 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -125:sc= 1.58 (180deg=-0.0674) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.357 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0224) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.29 (180deg=1.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.14) 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= 0.572 USER MOD Single : A 25 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 1.17 (180deg=0.55) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0297 K(o=-0.03,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= -1.27 K(o=-1.3,f=-8.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -47:sc= 0.721 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.115 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 130:sc= 1.17 (180deg=0.263) USER MOD Single : A 65 SER OG : rot 81:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0313 K(o=-0.031,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.599 -6.792 -4.959 1.00 9.67 N ATOM 2 CA MET A 1 11.654 -7.187 -3.509 1.00 10.38 C ATOM 3 C MET A 1 10.260 -7.446 -3.043 1.00 9.62 C ATOM 4 O MET A 1 9.250 -7.259 -3.754 1.00 9.62 O ATOM 5 CB MET A 1 12.360 -6.155 -2.626 1.00 13.77 C ATOM 6 CG MET A 1 11.795 -4.708 -2.454 1.00 16.29 C ATOM 7 SD MET A 1 10.460 -4.378 -1.214 1.00 17.17 S ATOM 8 CE MET A 1 10.564 -2.625 -1.521 1.00 16.11 C ATOM 0 H1 MET A 1 12.565 -6.656 -5.319 1.00 9.67 H new ATOM 0 H2 MET A 1 11.129 -7.542 -5.505 1.00 9.67 H new ATOM 0 H3 MET A 1 11.065 -5.905 -5.057 1.00 9.67 H new ATOM 0 HA MET A 1 12.257 -8.091 -3.420 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.433 -6.588 -1.628 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.377 -6.056 -3.005 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.635 -4.059 -2.207 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.421 -4.388 -3.426 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.819 -2.105 -0.919 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.559 -2.268 -1.256 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.378 -2.429 -2.577 1.00 16.11 H new ATOM 20 N GLN A 2 10.097 -7.995 -1.869 1.00 9.27 N ATOM 21 CA GLN A 2 8.816 -8.492 -1.324 1.00 9.07 C ATOM 22 C GLN A 2 8.252 -7.792 -0.108 1.00 8.72 C ATOM 23 O GLN A 2 8.890 -7.669 0.906 1.00 8.22 O ATOM 24 CB GLN A 2 9.113 -9.983 -1.026 1.00 14.46 C ATOM 25 CG GLN A 2 7.867 -10.898 -0.653 1.00 17.01 C ATOM 26 CD GLN A 2 8.228 -12.329 -0.370 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.112 -12.898 0.712 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.812 -13.073 -1.373 1.00 19.49 N ATOM 0 H GLN A 2 10.874 -8.124 -1.221 1.00 9.27 H new ATOM 0 HA GLN A 2 8.024 -8.303 -2.049 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.602 -10.414 -1.900 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.828 -10.030 -0.205 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.369 -10.479 0.222 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.149 -10.870 -1.473 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.942 -12.667 -2.300 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.114 -14.030 -1.188 1.00 19.49 H new ATOM 37 N ILE A 3 6.978 -7.495 -0.160 1.00 5.87 N ATOM 38 CA ILE A 3 6.195 -6.699 0.843 1.00 5.07 C ATOM 39 C ILE A 3 4.978 -7.479 1.245 1.00 4.01 C ATOM 40 O ILE A 3 4.565 -8.461 0.661 1.00 4.61 O ATOM 41 CB ILE A 3 5.791 -5.263 0.364 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.918 -5.246 -0.916 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.152 -4.612 0.163 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.223 -3.903 -1.249 1.00 10.83 C ATOM 0 H ILE A 3 6.395 -7.805 -0.937 1.00 5.87 H new ATOM 0 HA ILE A 3 6.855 -6.538 1.695 1.00 5.07 H new ATOM 0 HB ILE A 3 5.150 -4.742 1.075 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.545 -5.527 -1.762 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.151 -6.014 -0.818 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.018 -3.585 -0.178 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.698 -4.613 1.106 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.716 -5.171 -0.583 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.641 -4.012 -2.164 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.561 -3.623 -0.429 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.977 -3.128 -1.388 1.00 10.83 H new ATOM 56 N PHE A 4 4.406 -7.060 2.382 1.00 4.55 N ATOM 57 CA PHE A 4 3.251 -7.760 2.886 1.00 4.68 C ATOM 58 C PHE A 4 2.238 -6.639 3.187 1.00 5.30 C ATOM 59 O PHE A 4 2.552 -5.564 3.678 1.00 5.58 O ATOM 60 CB PHE A 4 3.451 -8.390 4.293 1.00 4.83 C ATOM 61 CG PHE A 4 4.573 -9.433 4.303 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.576 -10.536 3.358 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.681 -9.288 5.153 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.600 -11.507 3.439 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.736 -10.283 5.151 1.00 10.61 C ATOM 66 CZ PHE A 4 6.679 -11.409 4.325 1.00 8.90 C ATOM 0 H PHE A 4 4.721 -6.268 2.942 1.00 4.55 H new ATOM 0 HA PHE A 4 2.990 -8.535 2.166 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.681 -7.604 5.012 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.520 -8.856 4.617 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.807 -10.613 2.604 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.748 -8.433 5.810 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.547 -12.366 2.786 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.586 -10.151 5.804 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.439 -12.175 4.369 1.00 8.90 H new ATOM 76 N VAL A 5 0.989 -6.764 2.718 1.00 4.44 N ATOM 77 CA VAL A 5 -0.032 -5.720 2.772 1.00 3.87 C ATOM 78 C VAL A 5 -1.022 -6.383 3.707 1.00 4.93 C ATOM 79 O VAL A 5 -1.438 -7.520 3.536 1.00 6.84 O ATOM 80 CB VAL A 5 -0.554 -5.379 1.367 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.726 -4.413 1.523 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.596 -4.890 0.458 1.00 9.13 C ATOM 0 H VAL A 5 0.656 -7.622 2.278 1.00 4.44 H new ATOM 0 HA VAL A 5 0.279 -4.737 3.125 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.936 -6.259 0.849 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.117 -4.153 0.539 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.511 -4.886 2.112 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.387 -3.509 2.029 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.203 -4.655 -0.531 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.048 -3.997 0.891 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.350 -5.673 0.372 1.00 9.13 H new ATOM 92 N LYS A 6 -1.386 -5.722 4.785 1.00 6.04 N ATOM 93 CA LYS A 6 -2.230 -6.233 5.859 1.00 6.12 C ATOM 94 C LYS A 6 -3.495 -5.530 6.065 1.00 6.57 C ATOM 95 O LYS A 6 -3.545 -4.342 6.352 1.00 5.76 O ATOM 96 CB LYS A 6 -1.413 -6.203 7.230 1.00 7.45 C ATOM 97 CG LYS A 6 -2.019 -7.263 8.192 1.00 11.12 C ATOM 98 CD LYS A 6 -1.276 -7.357 9.568 1.00 14.54 C ATOM 99 CE LYS A 6 -1.884 -8.284 10.565 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.737 -9.695 10.198 1.00 20.55 N ATOM 0 H LYS A 6 -1.088 -4.761 4.950 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.497 -7.242 5.546 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.360 -6.416 7.047 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.464 -5.211 7.679 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.067 -7.023 8.370 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.993 -8.239 7.707 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.248 -7.671 9.385 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.231 -6.360 10.006 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.421 -8.117 11.538 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.943 -8.050 10.672 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.673 -10.149 10.182 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.302 -9.765 9.256 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.132 -10.174 10.895 1.00 20.55 H new ATOM 114 N THR A 7 -4.632 -6.219 5.884 1.00 7.41 N ATOM 115 CA THR A 7 -6.057 -5.778 5.772 1.00 7.48 C ATOM 116 C THR A 7 -6.801 -5.718 7.144 1.00 8.75 C ATOM 117 O THR A 7 -6.322 -6.122 8.187 1.00 8.58 O ATOM 118 CB THR A 7 -6.959 -6.552 4.855 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.323 -7.801 5.337 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.259 -6.791 3.501 1.00 9.17 C ATOM 0 H THR A 7 -4.581 -7.234 5.800 1.00 7.41 H new ATOM 0 HA THR A 7 -5.898 -4.792 5.335 1.00 7.48 H new ATOM 0 HB THR A 7 -7.857 -5.941 4.764 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.910 -8.244 4.689 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.922 -7.353 2.843 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.019 -5.832 3.041 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.341 -7.357 3.661 1.00 9.17 H new ATOM 128 N LEU A 8 -8.021 -5.059 7.137 1.00 9.84 N ATOM 129 CA LEU A 8 -8.905 -4.731 8.283 1.00 14.15 C ATOM 130 C LEU A 8 -9.354 -6.037 9.021 1.00 17.37 C ATOM 131 O LEU A 8 -9.733 -5.940 10.188 1.00 17.01 O ATOM 132 CB LEU A 8 -10.172 -3.925 7.848 1.00 16.63 C ATOM 133 CG LEU A 8 -9.902 -2.644 7.054 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.132 -2.071 6.436 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.370 -1.634 8.098 1.00 18.59 C ATOM 0 H LEU A 8 -8.422 -4.729 6.259 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.322 -4.103 8.957 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.806 -4.577 7.247 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.739 -3.664 8.742 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.212 -2.854 6.237 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.875 -1.165 5.887 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.568 -2.799 5.751 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.853 -1.830 7.217 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.151 -0.685 7.608 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.123 -1.478 8.870 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.460 -2.026 8.552 1.00 18.59 H new ATOM 147 N THR A 9 -9.266 -7.228 8.402 1.00 18.33 N ATOM 148 CA THR A 9 -9.718 -8.481 9.034 1.00 19.24 C ATOM 149 C THR A 9 -8.472 -9.074 9.742 1.00 19.48 C ATOM 150 O THR A 9 -8.586 -10.108 10.397 1.00 23.14 O ATOM 151 CB THR A 9 -10.206 -9.478 7.925 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.183 -9.811 6.995 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.368 -8.821 7.120 1.00 19.70 C ATOM 0 H THR A 9 -8.885 -7.349 7.463 1.00 18.33 H new ATOM 0 HA THR A 9 -10.538 -8.309 9.731 1.00 19.24 H new ATOM 0 HB THR A 9 -10.521 -10.387 8.437 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.538 -10.435 6.328 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.711 -9.510 6.348 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.193 -8.592 7.794 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.014 -7.901 6.654 1.00 19.70 H new ATOM 161 N GLY A 10 -7.319 -8.432 9.765 1.00 19.43 N ATOM 162 CA GLY A 10 -6.003 -8.954 10.190 1.00 18.74 C ATOM 163 C GLY A 10 -5.338 -9.770 9.153 1.00 17.62 C ATOM 164 O GLY A 10 -4.258 -10.269 9.349 1.00 19.74 O ATOM 0 H GLY A 10 -7.257 -7.458 9.468 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.356 -8.118 10.455 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.131 -9.556 11.090 1.00 18.74 H new ATOM 168 N LYS A 11 -5.985 -9.990 7.968 1.00 13.56 N ATOM 169 CA LYS A 11 -5.449 -10.819 6.915 1.00 11.91 C ATOM 170 C LYS A 11 -4.267 -10.167 6.206 1.00 10.18 C ATOM 171 O LYS A 11 -4.236 -8.951 5.936 1.00 9.10 O ATOM 172 CB LYS A 11 -6.475 -11.230 5.785 1.00 13.43 C ATOM 173 CG LYS A 11 -6.113 -12.425 4.883 1.00 16.69 C ATOM 174 CD LYS A 11 -6.950 -12.596 3.615 1.00 17.92 C ATOM 175 CE LYS A 11 -6.861 -11.491 2.555 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.651 -11.918 1.346 1.00 21.93 N ATOM 0 H LYS A 11 -6.893 -9.583 7.745 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.153 -11.716 7.459 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.429 -11.449 6.264 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.632 -10.362 5.144 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.067 -12.329 4.592 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.197 -13.337 5.474 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.662 -13.537 3.146 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.994 -12.695 3.912 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.253 -10.554 2.951 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.821 -11.311 2.283 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.931 -11.078 0.800 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.066 -12.539 0.751 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.502 -12.432 1.651 1.00 21.93 H new ATOM 190 N THR A 12 -3.182 -10.964 5.976 1.00 9.63 N ATOM 191 CA THR A 12 -2.011 -10.454 5.332 1.00 9.85 C ATOM 192 C THR A 12 -1.946 -10.961 3.915 1.00 11.66 C ATOM 193 O THR A 12 -2.228 -12.116 3.640 1.00 12.33 O ATOM 194 CB THR A 12 -0.778 -10.828 6.004 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.863 -10.561 7.413 1.00 10.91 O ATOM 196 CG2 THR A 12 0.537 -10.105 5.548 1.00 9.63 C ATOM 0 H THR A 12 -3.128 -11.948 6.238 1.00 9.63 H new ATOM 0 HA THR A 12 -2.094 -9.368 5.364 1.00 9.85 H new ATOM 0 HB THR A 12 -0.697 -11.882 5.739 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.024 -10.821 7.847 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.379 -10.479 6.131 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.712 -10.302 4.490 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.435 -9.031 5.706 1.00 9.63 H new ATOM 204 N ILE A 13 -1.518 -10.178 2.865 1.00 10.42 N ATOM 205 CA ILE A 13 -1.193 -10.678 1.534 1.00 11.84 C ATOM 206 C ILE A 13 0.229 -10.236 1.213 1.00 10.55 C ATOM 207 O ILE A 13 0.674 -9.169 1.660 1.00 11.92 O ATOM 208 CB ILE A 13 -2.171 -10.285 0.416 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.294 -8.762 0.160 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.424 -11.116 0.712 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.278 -8.368 -0.911 1.00 16.46 C ATOM 0 H ILE A 13 -1.397 -9.169 2.951 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.284 -11.764 1.565 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.825 -10.531 -0.588 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.582 -8.275 1.092 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.312 -8.375 -0.112 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.187 -10.904 -0.037 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.172 -12.176 0.684 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.805 -10.860 1.700 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.290 -7.283 -1.013 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.984 -8.819 -1.859 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.273 -8.717 -0.637 1.00 16.46 H new ATOM 223 N THR A 14 0.926 -11.030 0.427 1.00 9.39 N ATOM 224 CA THR A 14 2.329 -10.874 0.075 1.00 9.63 C ATOM 225 C THR A 14 2.300 -10.294 -1.361 1.00 11.20 C ATOM 226 O THR A 14 1.569 -10.868 -2.196 1.00 11.63 O ATOM 227 CB THR A 14 3.004 -12.174 -0.065 1.00 10.38 C ATOM 228 OG1 THR A 14 2.837 -12.930 1.150 1.00 16.30 O ATOM 229 CG2 THR A 14 4.502 -12.037 -0.282 1.00 11.66 C ATOM 0 H THR A 14 0.507 -11.851 -0.011 1.00 9.39 H new ATOM 0 HA THR A 14 2.837 -10.276 0.832 1.00 9.63 H new ATOM 0 HB THR A 14 2.557 -12.662 -0.931 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.284 -13.797 1.060 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.948 -13.027 -0.378 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.687 -11.465 -1.192 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.947 -11.520 0.568 1.00 11.66 H new ATOM 237 N LEU A 15 3.032 -9.203 -1.633 1.00 8.29 N ATOM 238 CA LEU A 15 3.206 -8.723 -2.990 1.00 9.03 C ATOM 239 C LEU A 15 4.631 -8.423 -3.300 1.00 8.59 C ATOM 240 O LEU A 15 5.472 -8.280 -2.428 1.00 7.79 O ATOM 241 CB LEU A 15 2.249 -7.464 -3.224 1.00 11.08 C ATOM 242 CG LEU A 15 0.817 -7.665 -3.094 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.091 -6.308 -3.257 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.257 -8.487 -4.256 1.00 15.27 C ATOM 0 H LEU A 15 3.508 -8.645 -0.924 1.00 8.29 H new ATOM 0 HA LEU A 15 2.920 -9.511 -3.686 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.543 -6.686 -2.520 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.443 -7.078 -4.225 1.00 11.08 H new ATOM 0 HG LEU A 15 0.664 -8.148 -2.129 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.984 -6.457 -3.160 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.433 -5.617 -2.486 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.312 -5.893 -4.240 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.817 -8.617 -4.125 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.448 -7.967 -5.195 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.741 -9.463 -4.277 1.00 15.27 H new ATOM 256 N GLU A 16 4.952 -8.365 -4.590 1.00 11.04 N ATOM 257 CA GLU A 16 6.314 -8.134 -5.104 1.00 11.50 C ATOM 258 C GLU A 16 6.419 -6.778 -5.761 1.00 10.13 C ATOM 259 O GLU A 16 5.584 -6.422 -6.616 1.00 9.83 O ATOM 260 CB GLU A 16 6.743 -9.341 -6.036 1.00 17.22 C ATOM 261 CG GLU A 16 8.273 -9.430 -6.237 1.00 23.33 C ATOM 262 CD GLU A 16 8.523 -10.509 -7.280 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.323 -11.705 -6.938 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.834 -10.238 -8.463 1.00 28.90 O ATOM 0 H GLU A 16 4.261 -8.479 -5.331 1.00 11.04 H new ATOM 0 HA GLU A 16 7.027 -8.108 -4.280 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.384 -10.274 -5.602 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.259 -9.234 -7.007 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.675 -8.473 -6.569 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.771 -9.677 -5.300 1.00 23.33 H new ATOM 271 N VAL A 17 7.419 -5.933 -5.400 1.00 8.99 N ATOM 272 CA VAL A 17 7.443 -4.538 -5.716 1.00 8.85 C ATOM 273 C VAL A 17 8.906 -4.237 -5.787 1.00 8.04 C ATOM 274 O VAL A 17 9.812 -4.821 -5.192 1.00 8.99 O ATOM 275 CB VAL A 17 6.842 -3.655 -4.576 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.278 -3.688 -4.634 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.407 -4.116 -3.225 1.00 10.54 C ATOM 0 H VAL A 17 8.235 -6.240 -4.870 1.00 8.99 H new ATOM 0 HA VAL A 17 6.867 -4.330 -6.618 1.00 8.85 H new ATOM 0 HB VAL A 17 7.132 -2.613 -4.709 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.871 -3.069 -3.834 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.941 -3.304 -5.597 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.931 -4.714 -4.511 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.989 -3.502 -2.427 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.141 -5.160 -3.056 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.492 -4.015 -3.231 1.00 10.54 H new ATOM 287 N GLU A 18 9.232 -3.175 -6.574 1.00 7.29 N ATOM 288 CA GLU A 18 10.572 -2.546 -6.670 1.00 7.08 C ATOM 289 C GLU A 18 10.564 -1.365 -5.728 1.00 6.45 C ATOM 290 O GLU A 18 9.475 -0.934 -5.371 1.00 5.28 O ATOM 291 CB GLU A 18 10.848 -2.197 -8.138 1.00 10.28 C ATOM 292 CG GLU A 18 11.068 -3.520 -8.927 1.00 12.65 C ATOM 293 CD GLU A 18 12.423 -4.110 -8.690 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.393 -3.335 -8.538 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.610 -5.358 -8.702 1.00 18.17 O ATOM 0 H GLU A 18 8.545 -2.722 -7.177 1.00 7.29 H new ATOM 0 HA GLU A 18 11.389 -3.202 -6.369 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.011 -1.640 -8.559 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.728 -1.558 -8.217 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.305 -4.243 -8.638 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.939 -3.330 -9.993 1.00 12.65 H new ATOM 302 N PRO A 19 11.635 -0.826 -5.154 1.00 7.24 N ATOM 303 CA PRO A 19 11.572 0.332 -4.304 1.00 7.07 C ATOM 304 C PRO A 19 11.168 1.570 -5.010 1.00 6.65 C ATOM 305 O PRO A 19 10.708 2.547 -4.398 1.00 6.37 O ATOM 306 CB PRO A 19 13.034 0.480 -3.726 1.00 7.61 C ATOM 307 CG PRO A 19 13.906 -0.312 -4.701 1.00 8.16 C ATOM 308 CD PRO A 19 13.004 -1.342 -5.302 1.00 7.49 C ATOM 0 HA PRO A 19 10.810 0.196 -3.537 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.339 1.525 -3.678 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.104 0.081 -2.714 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.325 0.338 -5.469 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.745 -0.779 -4.186 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.246 -1.507 -6.352 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.116 -2.300 -4.795 1.00 7.49 H new ATOM 316 N SER A 20 11.429 1.600 -6.279 1.00 6.80 N ATOM 317 CA SER A 20 11.040 2.613 -7.158 1.00 6.28 C ATOM 318 C SER A 20 9.611 2.397 -7.698 1.00 8.45 C ATOM 319 O SER A 20 9.140 3.121 -8.561 1.00 7.26 O ATOM 320 CB SER A 20 12.061 2.840 -8.352 1.00 8.57 C ATOM 321 OG SER A 20 12.307 1.619 -9.076 1.00 11.13 O ATOM 0 H SER A 20 11.956 0.859 -6.741 1.00 6.80 H new ATOM 0 HA SER A 20 11.046 3.525 -6.561 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.665 3.594 -9.032 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.001 3.227 -7.959 1.00 8.57 H new ATOM 0 HG SER A 20 12.938 1.793 -9.805 1.00 11.13 H new ATOM 327 N ASP A 21 8.843 1.446 -7.187 1.00 7.50 N ATOM 328 CA ASP A 21 7.425 1.518 -7.449 1.00 7.70 C ATOM 329 C ASP A 21 6.805 2.569 -6.588 1.00 7.08 C ATOM 330 O ASP A 21 7.143 2.540 -5.403 1.00 8.11 O ATOM 331 CB ASP A 21 6.829 0.100 -7.182 1.00 11.00 C ATOM 332 CG ASP A 21 6.884 -0.815 -8.375 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.664 -0.248 -9.452 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.075 -2.041 -8.267 1.00 14.36 O ATOM 0 H ASP A 21 9.159 0.659 -6.620 1.00 7.50 H new ATOM 0 HA ASP A 21 7.219 1.801 -8.481 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.370 -0.362 -6.356 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.792 0.206 -6.864 1.00 11.00 H new ATOM 339 N THR A 22 5.819 3.266 -7.138 1.00 5.37 N ATOM 340 CA THR A 22 4.972 4.176 -6.410 1.00 6.01 C ATOM 341 C THR A 22 4.006 3.546 -5.429 1.00 8.01 C ATOM 342 O THR A 22 3.643 2.387 -5.545 1.00 8.11 O ATOM 343 CB THR A 22 4.241 5.291 -7.168 1.00 8.92 C ATOM 344 OG1 THR A 22 3.416 4.788 -8.216 1.00 10.22 O ATOM 345 CG2 THR A 22 5.266 6.218 -7.818 1.00 9.65 C ATOM 0 H THR A 22 5.588 3.206 -8.130 1.00 5.37 H new ATOM 0 HA THR A 22 5.781 4.668 -5.870 1.00 6.01 H new ATOM 0 HB THR A 22 3.618 5.809 -6.438 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.970 5.534 -8.668 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.749 7.011 -8.357 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.900 6.657 -7.047 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.882 5.648 -8.514 1.00 9.65 H new ATOM 353 N ILE A 23 3.558 4.298 -4.429 1.00 8.32 N ATOM 354 CA ILE A 23 2.400 3.948 -3.623 1.00 9.92 C ATOM 355 C ILE A 23 1.115 3.771 -4.432 1.00 10.01 C ATOM 356 O ILE A 23 0.397 2.818 -4.365 1.00 8.71 O ATOM 357 CB ILE A 23 2.215 5.048 -2.534 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.411 5.315 -1.624 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.895 4.754 -1.764 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.067 4.152 -0.969 1.00 12.30 C ATOM 0 H ILE A 23 3.996 5.177 -4.154 1.00 8.32 H new ATOM 0 HA ILE A 23 2.591 2.974 -3.172 1.00 9.92 H new ATOM 0 HB ILE A 23 2.143 6.003 -3.055 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.167 5.837 -2.211 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.087 6.000 -0.840 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.745 5.513 -0.996 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.056 4.772 -2.460 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.958 3.771 -1.296 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.898 4.501 -0.356 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.344 3.634 -0.339 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.440 3.468 -1.731 1.00 12.30 H new ATOM 372 N GLU A 24 0.946 4.608 -5.491 1.00 9.54 N ATOM 373 CA GLU A 24 -0.027 4.375 -6.511 1.00 11.81 C ATOM 374 C GLU A 24 0.131 3.082 -7.343 1.00 11.14 C ATOM 375 O GLU A 24 -0.896 2.397 -7.532 1.00 10.62 O ATOM 376 CB GLU A 24 -0.132 5.559 -7.507 1.00 19.24 C ATOM 377 CG GLU A 24 -1.381 5.533 -8.386 1.00 27.76 C ATOM 378 CD GLU A 24 -1.524 6.675 -9.412 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.653 7.504 -9.564 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.572 6.636 -10.144 1.00 36.51 O ATOM 0 H GLU A 24 1.497 5.455 -5.631 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.935 4.261 -5.919 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.117 6.493 -6.946 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.749 5.558 -8.148 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.399 4.586 -8.925 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.256 5.547 -7.736 1.00 27.76 H new ATOM 387 N ASN A 25 1.378 2.723 -7.745 1.00 9.43 N ATOM 388 CA ASN A 25 1.637 1.400 -8.261 1.00 10.96 C ATOM 389 C ASN A 25 1.286 0.219 -7.310 1.00 9.68 C ATOM 390 O ASN A 25 0.768 -0.798 -7.765 1.00 9.33 O ATOM 391 CB ASN A 25 3.111 1.163 -8.735 1.00 16.78 C ATOM 392 CG ASN A 25 3.606 2.023 -9.900 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.873 2.624 -10.667 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.917 1.992 -10.047 1.00 24.70 N ATOM 0 H ASN A 25 2.192 3.337 -7.714 1.00 9.43 H new ATOM 0 HA ASN A 25 0.953 1.392 -9.110 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.772 1.329 -7.885 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.213 0.115 -9.018 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.355 2.484 -10.826 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.493 1.476 -9.381 1.00 24.70 H new ATOM 401 N VAL A 26 1.619 0.224 -5.978 1.00 6.52 N ATOM 402 CA VAL A 26 1.212 -0.761 -5.037 1.00 5.53 C ATOM 403 C VAL A 26 -0.316 -0.833 -5.025 1.00 4.42 C ATOM 404 O VAL A 26 -0.915 -1.894 -4.960 1.00 3.40 O ATOM 405 CB VAL A 26 1.661 -0.343 -3.663 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.134 -1.302 -2.563 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.185 -0.255 -3.662 1.00 8.12 C ATOM 0 H VAL A 26 2.197 0.955 -5.563 1.00 6.52 H new ATOM 0 HA VAL A 26 1.644 -1.724 -5.307 1.00 5.53 H new ATOM 0 HB VAL A 26 1.241 0.634 -3.426 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.482 -0.963 -1.587 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.044 -1.308 -2.578 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.505 -2.310 -2.750 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.531 0.047 -2.674 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.606 -1.229 -3.912 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.508 0.480 -4.400 1.00 8.12 H new ATOM 417 N LYS A 27 -1.115 0.267 -5.028 1.00 2.64 N ATOM 418 CA LYS A 27 -2.532 0.353 -5.151 1.00 4.14 C ATOM 419 C LYS A 27 -3.110 -0.341 -6.351 1.00 5.58 C ATOM 420 O LYS A 27 -4.203 -0.958 -6.270 1.00 4.11 O ATOM 421 CB LYS A 27 -3.088 1.790 -5.107 1.00 3.97 C ATOM 422 CG LYS A 27 -2.900 2.552 -3.774 1.00 7.45 C ATOM 423 CD LYS A 27 -3.269 4.040 -3.823 1.00 9.02 C ATOM 424 CE LYS A 27 -3.218 4.533 -2.390 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.627 5.936 -2.231 1.00 15.47 N ATOM 0 H LYS A 27 -0.704 1.196 -4.932 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.857 -0.182 -4.258 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.613 2.366 -5.901 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.154 1.753 -5.334 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.505 2.068 -3.007 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.859 2.461 -3.464 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.571 4.594 -4.451 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.262 4.181 -4.249 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.863 3.904 -1.776 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.203 4.415 -2.011 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.986 6.411 -1.564 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.585 6.416 -3.153 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.599 5.975 -1.864 1.00 15.47 H new ATOM 439 N ALA A 28 -2.374 -0.332 -7.492 1.00 6.61 N ATOM 440 CA ALA A 28 -2.722 -1.110 -8.674 1.00 7.74 C ATOM 441 C ALA A 28 -2.558 -2.630 -8.544 1.00 9.17 C ATOM 442 O ALA A 28 -3.420 -3.477 -8.835 1.00 11.45 O ATOM 443 CB ALA A 28 -1.906 -0.583 -9.840 1.00 7.68 C ATOM 0 H ALA A 28 -1.524 0.221 -7.602 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.793 -0.977 -8.829 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.148 -1.150 -10.739 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.139 0.470 -10.001 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.844 -0.690 -9.619 1.00 7.68 H new ATOM 449 N LYS A 29 -1.443 -3.026 -7.928 1.00 8.96 N ATOM 450 CA LYS A 29 -1.189 -4.459 -7.607 1.00 7.90 C ATOM 451 C LYS A 29 -2.270 -5.061 -6.608 1.00 6.92 C ATOM 452 O LYS A 29 -2.798 -6.154 -6.819 1.00 6.87 O ATOM 453 CB LYS A 29 0.270 -4.593 -6.907 1.00 10.28 C ATOM 454 CG LYS A 29 1.339 -4.088 -7.902 1.00 14.94 C ATOM 455 CD LYS A 29 2.764 -4.453 -7.559 1.00 19.69 C ATOM 456 CE LYS A 29 3.943 -3.807 -8.267 1.00 22.63 C ATOM 457 NZ LYS A 29 3.731 -3.800 -9.753 1.00 24.98 N ATOM 0 H LYS A 29 -0.699 -2.392 -7.638 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.243 -5.014 -8.543 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.304 -4.010 -5.987 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.466 -5.630 -6.635 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.108 -4.485 -8.891 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.265 -3.003 -7.969 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.892 -4.263 -6.493 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.859 -5.529 -7.704 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.074 -2.786 -7.909 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.858 -4.348 -8.028 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.548 -3.354 -10.218 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.629 -4.777 -10.094 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.869 -3.263 -9.978 1.00 24.98 H new ATOM 471 N ILE A 30 -2.577 -4.253 -5.636 1.00 4.57 N ATOM 472 CA ILE A 30 -3.754 -4.529 -4.749 1.00 5.58 C ATOM 473 C ILE A 30 -5.087 -4.511 -5.523 1.00 7.26 C ATOM 474 O ILE A 30 -5.950 -5.388 -5.297 1.00 9.46 O ATOM 475 CB ILE A 30 -3.764 -3.508 -3.608 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.529 -3.703 -2.667 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.985 -3.514 -2.661 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.300 -2.499 -1.744 1.00 2.00 C ATOM 0 H ILE A 30 -2.062 -3.402 -5.410 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.653 -5.535 -4.342 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.771 -2.569 -4.162 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.674 -4.598 -2.062 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.637 -3.868 -3.272 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.860 -2.742 -1.902 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.891 -3.316 -3.234 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.066 -4.488 -2.178 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.432 -2.685 -1.112 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.126 -1.607 -2.346 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.179 -2.348 -1.118 1.00 2.00 H new ATOM 490 N GLN A 31 -5.444 -3.533 -6.449 1.00 7.06 N ATOM 491 CA GLN A 31 -6.675 -3.556 -7.225 1.00 8.67 C ATOM 492 C GLN A 31 -6.813 -4.867 -8.099 1.00 10.90 C ATOM 493 O GLN A 31 -7.848 -5.532 -8.088 1.00 9.63 O ATOM 494 CB GLN A 31 -6.679 -2.314 -8.065 1.00 9.12 C ATOM 495 CG GLN A 31 -7.913 -2.177 -9.076 1.00 10.76 C ATOM 496 CD GLN A 31 -7.705 -1.075 -10.130 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.537 -0.965 -10.578 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.775 -0.270 -10.454 1.00 14.76 N ATOM 0 H GLN A 31 -4.857 -2.723 -6.648 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.540 -3.573 -6.562 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.674 -1.448 -7.404 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.754 -2.281 -8.640 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.070 -3.130 -9.581 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.819 -1.964 -8.509 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.688 -0.442 -10.034 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.654 0.498 -11.114 1.00 14.76 H new ATOM 507 N ASP A 32 -5.705 -5.234 -8.703 1.00 10.93 N ATOM 508 CA ASP A 32 -5.569 -6.441 -9.544 1.00 14.01 C ATOM 509 C ASP A 32 -5.768 -7.737 -8.754 1.00 14.04 C ATOM 510 O ASP A 32 -6.448 -8.657 -9.181 1.00 13.39 O ATOM 511 CB ASP A 32 -4.195 -6.389 -10.217 1.00 18.01 C ATOM 512 CG ASP A 32 -3.819 -7.434 -11.278 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.342 -7.398 -12.428 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.985 -8.289 -10.919 1.00 26.29 O ATOM 0 H ASP A 32 -4.840 -4.698 -8.632 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.357 -6.446 -10.297 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.098 -5.407 -10.681 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.445 -6.444 -9.428 1.00 18.01 H new ATOM 519 N LYS A 33 -5.150 -7.795 -7.563 1.00 14.22 N ATOM 520 CA LYS A 33 -5.104 -8.956 -6.744 1.00 14.00 C ATOM 521 C LYS A 33 -6.399 -9.130 -5.890 1.00 12.37 C ATOM 522 O LYS A 33 -6.899 -10.240 -5.820 1.00 12.17 O ATOM 523 CB LYS A 33 -3.851 -8.753 -5.699 1.00 18.62 C ATOM 524 CG LYS A 33 -3.549 -10.053 -4.927 1.00 24.00 C ATOM 525 CD LYS A 33 -3.231 -11.339 -5.812 1.00 27.61 C ATOM 526 CE LYS A 33 -1.787 -11.370 -6.313 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.436 -12.533 -7.181 1.00 30.06 N ATOM 0 H LYS A 33 -4.662 -6.997 -7.156 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.998 -9.831 -7.385 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.963 -8.439 -6.249 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.088 -7.956 -4.994 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.699 -9.871 -4.269 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.403 -10.279 -4.289 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.426 -12.236 -5.225 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.908 -11.363 -6.666 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.593 -10.452 -6.868 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.121 -11.368 -5.450 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.439 -12.463 -7.468 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.583 -13.417 -6.653 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.041 -12.530 -8.027 1.00 30.06 H new ATOM 541 N GLU A 34 -6.947 -8.099 -5.244 1.00 10.11 N ATOM 542 CA GLU A 34 -8.064 -8.239 -4.382 1.00 10.07 C ATOM 543 C GLU A 34 -9.386 -7.492 -4.810 1.00 9.32 C ATOM 544 O GLU A 34 -10.414 -7.540 -4.141 1.00 11.61 O ATOM 545 CB GLU A 34 -7.601 -7.677 -3.010 1.00 14.77 C ATOM 546 CG GLU A 34 -6.909 -8.753 -2.164 1.00 18.75 C ATOM 547 CD GLU A 34 -7.781 -9.886 -1.676 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.071 -10.845 -2.457 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.089 -9.917 -0.430 1.00 25.19 O ATOM 0 H GLU A 34 -6.604 -7.142 -5.323 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.344 -9.293 -4.387 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.917 -6.843 -3.170 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.461 -7.284 -2.468 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.094 -9.177 -2.750 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.460 -8.269 -1.297 1.00 18.75 H new ATOM 556 N GLY A 35 -9.402 -6.747 -5.920 1.00 7.22 N ATOM 557 CA GLY A 35 -10.554 -6.030 -6.361 1.00 6.29 C ATOM 558 C GLY A 35 -10.936 -4.817 -5.526 1.00 6.93 C ATOM 559 O GLY A 35 -12.109 -4.749 -5.097 1.00 7.41 O ATOM 0 H GLY A 35 -8.592 -6.638 -6.531 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.385 -5.703 -7.387 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.401 -6.716 -6.380 1.00 6.29 H new ATOM 563 N ILE A 36 -10.005 -3.939 -5.179 1.00 5.86 N ATOM 564 CA ILE A 36 -10.285 -2.726 -4.401 1.00 6.07 C ATOM 565 C ILE A 36 -9.958 -1.483 -5.187 1.00 6.36 C ATOM 566 O ILE A 36 -8.784 -1.361 -5.584 1.00 6.18 O ATOM 567 CB ILE A 36 -9.424 -2.797 -3.115 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.727 -4.048 -2.250 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.670 -1.599 -2.116 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.495 -4.490 -1.491 1.00 9.49 C ATOM 0 H ILE A 36 -9.022 -4.044 -5.429 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.346 -2.674 -4.157 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.411 -2.795 -3.517 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.531 -3.824 -1.548 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.077 -4.860 -2.887 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.032 -1.718 -1.240 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.433 -0.657 -2.612 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.715 -1.593 -1.805 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.733 -5.369 -0.892 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.702 -4.736 -2.197 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.162 -3.684 -0.837 1.00 9.49 H new ATOM 582 N PRO A 37 -10.714 -0.492 -5.455 1.00 8.65 N ATOM 583 CA PRO A 37 -10.275 0.701 -6.208 1.00 9.18 C ATOM 584 C PRO A 37 -9.093 1.452 -5.688 1.00 9.85 C ATOM 585 O PRO A 37 -9.045 1.548 -4.449 1.00 8.51 O ATOM 586 CB PRO A 37 -11.559 1.614 -6.156 1.00 11.42 C ATOM 587 CG PRO A 37 -12.740 0.557 -6.178 1.00 9.27 C ATOM 588 CD PRO A 37 -12.186 -0.521 -5.268 1.00 8.33 C ATOM 0 HA PRO A 37 -9.921 0.397 -7.193 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.583 2.229 -5.256 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.608 2.293 -7.007 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.673 0.975 -5.801 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.941 0.185 -7.183 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.452 -0.330 -4.228 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.594 -1.498 -5.526 1.00 8.33 H new ATOM 596 N PRO A 38 -8.200 2.072 -6.479 1.00 8.71 N ATOM 597 CA PRO A 38 -7.174 3.031 -6.050 1.00 9.08 C ATOM 598 C PRO A 38 -7.643 4.115 -5.130 1.00 9.28 C ATOM 599 O PRO A 38 -6.875 4.681 -4.381 1.00 6.50 O ATOM 600 CB PRO A 38 -6.520 3.436 -7.351 1.00 10.31 C ATOM 601 CG PRO A 38 -6.660 2.208 -8.219 1.00 10.81 C ATOM 602 CD PRO A 38 -8.020 1.637 -7.876 1.00 12.00 C ATOM 0 HA PRO A 38 -6.440 2.602 -5.368 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.014 4.299 -7.796 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.474 3.707 -7.206 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.595 2.463 -9.277 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.867 1.488 -8.015 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.801 2.028 -8.528 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.041 0.551 -7.970 1.00 12.00 H new ATOM 610 N ASP A 39 -8.950 4.499 -5.244 1.00 11.20 N ATOM 611 CA ASP A 39 -9.568 5.620 -4.555 1.00 14.96 C ATOM 612 C ASP A 39 -10.111 5.146 -3.272 1.00 13.99 C ATOM 613 O ASP A 39 -10.777 5.939 -2.538 1.00 13.75 O ATOM 614 CB ASP A 39 -10.713 6.185 -5.377 1.00 24.16 C ATOM 615 CG ASP A 39 -10.168 6.907 -6.589 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.283 7.746 -6.348 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.714 6.815 -7.749 1.00 35.55 O ATOM 0 H ASP A 39 -9.606 4.002 -5.847 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.818 6.395 -4.401 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.379 5.381 -5.691 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.305 6.870 -4.770 1.00 24.16 H new ATOM 622 N GLN A 40 -10.033 3.821 -2.785 1.00 11.60 N ATOM 623 CA GLN A 40 -10.693 3.361 -1.569 1.00 10.76 C ATOM 624 C GLN A 40 -9.598 2.773 -0.653 1.00 8.01 C ATOM 625 O GLN A 40 -9.868 2.089 0.344 1.00 8.96 O ATOM 626 CB GLN A 40 -11.761 2.308 -1.917 1.00 11.14 C ATOM 627 CG GLN A 40 -13.020 2.899 -2.563 1.00 14.85 C ATOM 628 CD GLN A 40 -14.080 1.757 -2.725 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.864 0.686 -2.172 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.071 1.971 -3.579 1.00 18.16 N ATOM 0 H GLN A 40 -9.503 3.089 -3.258 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.204 4.178 -1.060 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.327 1.573 -2.594 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.044 1.777 -1.009 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.421 3.703 -1.945 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.779 3.333 -3.534 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.190 2.892 -4.002 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.715 1.215 -3.813 1.00 18.16 H new ATOM 639 N GLN A 41 -8.299 3.035 -0.915 1.00 6.52 N ATOM 640 CA GLN A 41 -7.133 2.488 -0.265 1.00 3.87 C ATOM 641 C GLN A 41 -6.292 3.524 0.534 1.00 4.79 C ATOM 642 O GLN A 41 -5.662 4.398 -0.073 1.00 6.34 O ATOM 643 CB GLN A 41 -6.132 1.747 -1.150 1.00 4.20 C ATOM 644 CG GLN A 41 -6.707 0.602 -1.940 1.00 3.20 C ATOM 645 CD GLN A 41 -5.755 0.189 -3.013 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.563 0.149 -2.745 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.293 -0.240 -4.185 1.00 7.13 N ATOM 0 H GLN A 41 -8.040 3.692 -1.651 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.627 1.773 0.393 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.686 2.460 -1.844 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.326 1.367 -0.522 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.909 -0.241 -1.279 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.659 0.897 -2.382 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.299 -0.175 -4.338 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.690 -0.627 -4.911 1.00 7.13 H new ATOM 656 N ARG A 42 -6.284 3.479 1.895 1.00 5.73 N ATOM 657 CA ARG A 42 -5.309 4.196 2.722 1.00 6.97 C ATOM 658 C ARG A 42 -4.277 3.212 3.115 1.00 7.15 C ATOM 659 O ARG A 42 -4.569 2.303 3.913 1.00 7.33 O ATOM 660 CB ARG A 42 -5.962 4.817 3.926 1.00 13.23 C ATOM 661 CG ARG A 42 -7.081 5.811 3.505 1.00 21.27 C ATOM 662 CD ARG A 42 -7.497 6.617 4.702 1.00 26.14 C ATOM 663 NE ARG A 42 -8.224 7.867 4.178 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.291 8.347 4.898 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.706 7.716 5.995 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.921 9.489 4.509 1.00 36.39 N ATOM 0 H ARG A 42 -6.960 2.940 2.437 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.863 5.020 2.164 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.384 4.036 4.558 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.213 5.339 4.521 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.721 6.470 2.715 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.935 5.267 3.102 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.152 6.034 5.350 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.628 6.898 5.297 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.922 8.327 3.319 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.231 6.869 6.307 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.499 8.080 6.523 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.601 9.991 3.681 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.713 9.843 5.046 1.00 36.39 H new ATOM 680 N LEU A 43 -3.030 3.482 2.652 1.00 4.65 N ATOM 681 CA LEU A 43 -1.864 2.746 3.062 1.00 3.51 C ATOM 682 C LEU A 43 -1.022 3.363 4.265 1.00 5.56 C ATOM 683 O LEU A 43 -0.740 4.573 4.259 1.00 4.19 O ATOM 684 CB LEU A 43 -0.926 2.446 1.875 1.00 3.74 C ATOM 685 CG LEU A 43 -1.657 1.899 0.555 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.703 1.458 -0.583 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.762 0.829 0.669 1.00 6.41 C ATOM 0 H LEU A 43 -2.832 4.225 1.982 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.291 1.823 3.454 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.383 3.357 1.621 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.186 1.712 2.193 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.175 2.829 0.319 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.288 1.104 -1.432 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.090 2.305 -0.893 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.058 0.655 -0.227 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.137 0.585 -0.325 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.353 -0.069 1.133 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.579 1.213 1.280 1.00 6.41 H new ATOM 699 N ILE A 44 -0.693 2.588 5.307 1.00 4.58 N ATOM 700 CA ILE A 44 0.025 3.002 6.501 1.00 5.55 C ATOM 701 C ILE A 44 1.325 2.257 6.774 1.00 5.46 C ATOM 702 O ILE A 44 1.311 0.991 6.796 1.00 6.04 O ATOM 703 CB ILE A 44 -0.885 3.104 7.753 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.222 3.756 7.463 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.128 3.882 8.858 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.198 3.840 8.578 1.00 13.90 C ATOM 0 H ILE A 44 -0.939 1.599 5.332 1.00 4.58 H new ATOM 0 HA ILE A 44 0.350 4.015 6.265 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.111 2.091 8.086 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.032 4.768 7.105 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.692 3.211 6.645 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.758 3.961 9.744 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.791 3.353 9.111 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.117 4.881 8.497 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.108 4.328 8.229 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.437 2.836 8.929 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.767 4.417 9.396 1.00 13.90 H new ATOM 718 N PHE A 45 2.451 2.937 6.986 1.00 6.75 N ATOM 719 CA PHE A 45 3.632 2.343 7.486 1.00 4.70 C ATOM 720 C PHE A 45 4.326 3.353 8.356 1.00 6.34 C ATOM 721 O PHE A 45 4.365 4.586 8.050 1.00 5.45 O ATOM 722 CB PHE A 45 4.445 1.794 6.216 1.00 5.51 C ATOM 723 CG PHE A 45 5.686 1.114 6.753 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.692 -0.207 7.160 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.870 1.783 6.694 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.905 -0.838 7.542 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.118 1.230 7.084 1.00 6.64 C ATOM 728 CZ PHE A 45 8.133 -0.114 7.505 1.00 6.84 C ATOM 0 H PHE A 45 2.542 3.936 6.802 1.00 6.75 H new ATOM 0 HA PHE A 45 3.480 1.482 8.136 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.838 1.094 5.642 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.711 2.610 5.545 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.767 -0.763 7.188 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.859 2.799 6.327 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.898 -1.870 7.862 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.023 1.819 7.059 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.059 -0.588 7.795 1.00 6.84 H new ATOM 738 N ALA A 46 4.856 2.895 9.577 1.00 6.53 N ATOM 739 CA ALA A 46 5.656 3.714 10.482 1.00 7.15 C ATOM 740 C ALA A 46 4.962 4.924 11.012 1.00 9.00 C ATOM 741 O ALA A 46 5.594 5.980 11.217 1.00 11.15 O ATOM 742 CB ALA A 46 6.985 4.143 9.748 1.00 8.99 C ATOM 0 H ALA A 46 4.714 1.944 9.916 1.00 6.53 H new ATOM 0 HA ALA A 46 5.860 3.092 11.353 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.589 4.756 10.417 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.547 3.253 9.464 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.738 4.717 8.855 1.00 8.99 H new ATOM 748 N GLY A 47 3.599 4.864 11.264 1.00 9.35 N ATOM 749 CA GLY A 47 2.725 5.899 11.645 1.00 11.68 C ATOM 750 C GLY A 47 2.272 6.849 10.605 1.00 11.14 C ATOM 751 O GLY A 47 1.389 7.720 10.849 1.00 13.93 O ATOM 0 H GLY A 47 3.100 3.978 11.180 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.840 5.442 12.087 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.213 6.474 12.432 1.00 11.68 H new ATOM 755 N LYS A 48 2.699 6.730 9.345 1.00 10.47 N ATOM 756 CA LYS A 48 2.462 7.737 8.296 1.00 8.82 C ATOM 757 C LYS A 48 1.494 7.244 7.217 1.00 7.68 C ATOM 758 O LYS A 48 1.576 6.124 6.770 1.00 6.47 O ATOM 759 CB LYS A 48 3.758 8.187 7.651 1.00 9.74 C ATOM 760 CG LYS A 48 4.827 8.679 8.667 1.00 14.14 C ATOM 761 CD LYS A 48 6.138 8.921 7.941 1.00 16.32 C ATOM 762 CE LYS A 48 7.308 9.504 8.792 1.00 20.04 C ATOM 763 NZ LYS A 48 8.454 9.899 7.986 1.00 23.92 N ATOM 0 H LYS A 48 3.227 5.922 9.016 1.00 10.47 H new ATOM 0 HA LYS A 48 2.001 8.588 8.798 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.172 7.360 7.074 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.543 8.991 6.947 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.491 9.597 9.150 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.966 7.937 9.454 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.468 7.976 7.509 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.948 9.602 7.111 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.948 10.368 9.351 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.624 8.760 9.523 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.199 10.278 8.604 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.819 9.072 7.472 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.164 10.629 7.305 1.00 23.92 H new ATOM 777 N GLN A 49 0.553 8.020 6.765 1.00 8.89 N ATOM 778 CA GLN A 49 -0.136 7.781 5.525 1.00 7.18 C ATOM 779 C GLN A 49 0.785 7.966 4.312 1.00 8.23 C ATOM 780 O GLN A 49 1.470 8.957 4.085 1.00 9.70 O ATOM 781 CB GLN A 49 -1.440 8.649 5.527 1.00 11.67 C ATOM 782 CG GLN A 49 -2.522 8.210 6.509 1.00 15.82 C ATOM 783 CD GLN A 49 -3.828 8.934 6.246 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.478 8.748 5.218 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.295 9.853 7.135 1.00 20.67 N ATOM 0 H GLN A 49 0.234 8.855 7.256 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.442 6.739 5.435 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.168 9.681 5.751 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.862 8.641 4.522 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.677 7.134 6.427 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.193 8.408 7.529 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.783 10.034 7.998 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.157 10.361 6.938 1.00 20.67 H new ATOM 794 N LEU A 50 0.735 6.894 3.469 1.00 6.51 N ATOM 795 CA LEU A 50 1.608 6.926 2.289 1.00 7.41 C ATOM 796 C LEU A 50 0.951 7.648 1.112 1.00 8.27 C ATOM 797 O LEU A 50 -0.234 7.445 0.915 1.00 8.34 O ATOM 798 CB LEU A 50 2.018 5.489 1.926 1.00 7.13 C ATOM 799 CG LEU A 50 2.524 4.648 3.199 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.696 3.168 2.807 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.769 5.310 3.864 1.00 9.11 C ATOM 0 H LEU A 50 0.147 6.068 3.579 1.00 6.51 H new ATOM 0 HA LEU A 50 2.504 7.499 2.528 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.170 4.977 1.472 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.810 5.520 1.178 1.00 7.13 H new ATOM 0 HG LEU A 50 1.769 4.664 3.985 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.039 2.600 3.672 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.741 2.768 2.466 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.430 3.087 2.005 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.083 4.714 4.721 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.583 5.363 3.141 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.512 6.316 4.196 1.00 9.11 H new ATOM 813 N GLU A 51 1.673 8.549 0.371 1.00 9.43 N ATOM 814 CA GLU A 51 1.035 9.430 -0.571 1.00 11.90 C ATOM 815 C GLU A 51 1.283 8.944 -1.983 1.00 11.49 C ATOM 816 O GLU A 51 2.343 8.420 -2.379 1.00 9.88 O ATOM 817 CB GLU A 51 1.647 10.875 -0.409 1.00 16.56 C ATOM 818 CG GLU A 51 1.353 11.598 0.919 1.00 26.06 C ATOM 819 CD GLU A 51 1.905 12.985 0.928 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.105 13.156 1.224 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.133 13.985 0.767 1.00 32.13 O ATOM 0 H GLU A 51 2.685 8.657 0.432 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.038 9.449 -0.382 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.728 10.803 -0.527 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.278 11.496 -1.225 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.276 11.634 1.083 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.782 11.030 1.745 1.00 26.06 H new ATOM 828 N ASP A 52 0.288 9.051 -2.889 1.00 12.71 N ATOM 829 CA ASP A 52 0.244 8.374 -4.218 1.00 16.56 C ATOM 830 C ASP A 52 1.431 8.516 -5.087 1.00 15.83 C ATOM 831 O ASP A 52 1.913 7.493 -5.575 1.00 17.21 O ATOM 832 CB ASP A 52 -1.047 8.681 -5.029 1.00 21.05 C ATOM 833 CG ASP A 52 -2.311 8.288 -4.241 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.758 9.163 -3.454 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.875 7.182 -4.360 1.00 28.37 O ATOM 0 H ASP A 52 -0.536 9.627 -2.718 1.00 12.71 H new ATOM 0 HA ASP A 52 0.240 7.328 -3.912 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.083 9.743 -5.271 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.022 8.139 -5.974 1.00 21.05 H new ATOM 840 N GLY A 53 1.881 9.714 -5.272 1.00 15.00 N ATOM 841 CA GLY A 53 2.963 10.003 -6.183 1.00 11.77 C ATOM 842 C GLY A 53 4.381 9.703 -5.648 1.00 11.10 C ATOM 843 O GLY A 53 5.340 9.687 -6.410 1.00 11.25 O ATOM 0 H GLY A 53 1.510 10.535 -4.794 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.809 9.428 -7.096 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.912 11.057 -6.457 1.00 11.77 H new ATOM 847 N ARG A 54 4.456 9.397 -4.355 1.00 8.53 N ATOM 848 CA ARG A 54 5.684 8.956 -3.685 1.00 9.05 C ATOM 849 C ARG A 54 5.996 7.497 -3.842 1.00 8.96 C ATOM 850 O ARG A 54 5.107 6.722 -4.131 1.00 11.60 O ATOM 851 CB ARG A 54 5.768 9.416 -2.191 1.00 7.97 C ATOM 852 CG ARG A 54 5.345 10.912 -2.068 1.00 9.62 C ATOM 853 CD ARG A 54 5.842 11.536 -0.786 1.00 12.20 C ATOM 854 NE ARG A 54 5.014 12.699 -0.577 1.00 18.23 N ATOM 855 CZ ARG A 54 5.360 13.937 -0.920 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.371 14.244 -1.801 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.521 14.912 -0.650 1.00 23.38 N ATOM 0 H ARG A 54 3.652 9.448 -3.729 1.00 8.53 H new ATOM 0 HA ARG A 54 6.475 9.476 -4.225 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.119 8.794 -1.574 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.784 9.285 -1.818 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.736 11.471 -2.919 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.258 10.986 -2.110 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.758 10.839 0.048 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.893 11.812 -0.866 1.00 12.20 H new ATOM 0 HE ARG A 54 4.104 12.563 -0.137 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.911 13.497 -2.238 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.581 15.219 -2.017 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.634 14.709 -0.190 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.757 15.872 -0.900 1.00 23.38 H new ATOM 871 N THR A 55 7.244 7.115 -3.718 1.00 9.05 N ATOM 872 CA THR A 55 7.669 5.703 -3.772 1.00 9.03 C ATOM 873 C THR A 55 7.959 5.054 -2.445 1.00 8.15 C ATOM 874 O THR A 55 8.075 5.725 -1.397 1.00 5.91 O ATOM 875 CB THR A 55 8.835 5.467 -4.699 1.00 11.15 C ATOM 876 OG1 THR A 55 10.039 6.162 -4.293 1.00 11.95 O ATOM 877 CG2 THR A 55 8.618 6.010 -6.167 1.00 11.71 C ATOM 0 H THR A 55 8.014 7.768 -3.575 1.00 9.05 H new ATOM 0 HA THR A 55 6.778 5.218 -4.171 1.00 9.03 H new ATOM 0 HB THR A 55 8.923 4.381 -4.661 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.820 7.090 -4.067 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.503 5.799 -6.767 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.752 5.519 -6.612 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.449 7.086 -6.135 1.00 11.71 H new ATOM 885 N LEU A 56 8.266 3.746 -2.431 1.00 6.91 N ATOM 886 CA LEU A 56 8.816 3.015 -1.270 1.00 8.29 C ATOM 887 C LEU A 56 10.185 3.431 -0.853 1.00 8.05 C ATOM 888 O LEU A 56 10.548 3.573 0.345 1.00 10.17 O ATOM 889 CB LEU A 56 8.830 1.468 -1.662 1.00 6.60 C ATOM 890 CG LEU A 56 7.329 0.899 -1.990 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.404 -0.505 -2.585 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.410 0.972 -0.765 1.00 8.64 C ATOM 0 H LEU A 56 8.136 3.149 -3.248 1.00 6.91 H new ATOM 0 HA LEU A 56 8.182 3.238 -0.412 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.470 1.321 -2.532 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.265 0.892 -0.845 1.00 6.60 H new ATOM 0 HG LEU A 56 6.878 1.546 -2.742 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.397 -0.865 -2.796 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.981 -0.478 -3.510 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.888 -1.176 -1.875 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.425 0.585 -1.026 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.832 0.374 0.043 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.318 2.008 -0.440 1.00 8.64 H new ATOM 904 N SER A 57 11.035 3.668 -1.802 1.00 8.92 N ATOM 905 CA SER A 57 12.333 4.294 -1.630 1.00 9.00 C ATOM 906 C SER A 57 12.349 5.546 -0.852 1.00 9.44 C ATOM 907 O SER A 57 13.141 5.780 0.046 1.00 10.91 O ATOM 908 CB SER A 57 13.174 4.362 -2.944 1.00 10.32 C ATOM 909 OG SER A 57 14.555 4.547 -2.708 1.00 13.59 O ATOM 0 H SER A 57 10.844 3.422 -2.773 1.00 8.92 H new ATOM 0 HA SER A 57 12.855 3.596 -0.976 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.028 3.442 -3.510 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.804 5.179 -3.563 1.00 10.32 H new ATOM 0 HG SER A 57 15.031 4.581 -3.564 1.00 13.59 H new ATOM 915 N ASP A 58 11.445 6.500 -1.126 1.00 9.11 N ATOM 916 CA ASP A 58 11.280 7.718 -0.427 1.00 7.91 C ATOM 917 C ASP A 58 11.028 7.599 1.099 1.00 9.12 C ATOM 918 O ASP A 58 11.470 8.410 1.882 1.00 8.61 O ATOM 919 CB ASP A 58 10.164 8.511 -1.113 1.00 8.41 C ATOM 920 CG ASP A 58 10.461 9.037 -2.486 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.550 9.598 -2.694 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.583 8.886 -3.398 1.00 11.70 O ATOM 0 H ASP A 58 10.783 6.404 -1.896 1.00 9.11 H new ATOM 0 HA ASP A 58 12.237 8.237 -0.478 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.282 7.874 -1.176 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.903 9.355 -0.474 1.00 8.41 H new ATOM 927 N TYR A 59 10.313 6.512 1.504 1.00 7.97 N ATOM 928 CA TYR A 59 9.839 6.369 2.910 1.00 8.45 C ATOM 929 C TYR A 59 10.765 5.395 3.636 1.00 10.98 C ATOM 930 O TYR A 59 10.639 5.070 4.773 1.00 12.95 O ATOM 931 CB TYR A 59 8.407 5.772 2.992 1.00 7.94 C ATOM 932 CG TYR A 59 7.412 6.785 2.543 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.168 7.868 3.377 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.644 6.694 1.313 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.151 8.779 3.088 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.583 7.596 1.044 1.00 6.52 C ATOM 937 CZ TYR A 59 5.338 8.600 1.916 1.00 6.76 C ATOM 938 OH TYR A 59 4.258 9.488 1.748 1.00 7.63 O ATOM 0 H TYR A 59 10.057 5.738 0.891 1.00 7.97 H new ATOM 0 HA TYR A 59 9.836 7.364 3.356 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.339 4.880 2.369 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.190 5.464 4.015 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.773 8.007 4.261 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.885 5.927 0.592 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.975 9.618 3.745 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.980 7.483 0.156 1.00 6.52 H new ATOM 0 HH TYR A 59 4.477 10.351 2.159 1.00 7.63 H new ATOM 948 N ASN A 60 11.740 4.912 2.915 1.00 12.38 N ATOM 949 CA ASN A 60 12.683 3.827 3.282 1.00 13.94 C ATOM 950 C ASN A 60 12.026 2.436 3.593 1.00 14.16 C ATOM 951 O ASN A 60 12.316 1.782 4.596 1.00 14.26 O ATOM 952 CB ASN A 60 13.661 4.195 4.384 1.00 19.23 C ATOM 953 CG ASN A 60 14.346 5.526 4.088 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.127 6.447 4.886 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.138 5.754 3.023 1.00 24.09 N ATOM 0 H ASN A 60 11.932 5.276 1.982 1.00 12.38 H new ATOM 0 HA ASN A 60 13.245 3.707 2.356 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.134 4.257 5.336 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.411 3.411 4.486 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.549 6.677 2.882 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.327 5.004 2.358 1.00 24.09 H new ATOM 962 N ILE A 61 11.093 1.932 2.742 1.00 11.08 N ATOM 963 CA ILE A 61 10.475 0.653 2.802 1.00 11.78 C ATOM 964 C ILE A 61 11.250 -0.238 1.943 1.00 13.74 C ATOM 965 O ILE A 61 11.533 -0.006 0.784 1.00 14.60 O ATOM 966 CB ILE A 61 9.071 0.742 2.294 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.212 1.490 3.325 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.429 -0.644 2.116 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.951 2.147 2.819 1.00 11.42 C ATOM 0 H ILE A 61 10.753 2.479 1.951 1.00 11.08 H new ATOM 0 HA ILE A 61 10.447 0.284 3.827 1.00 11.78 H new ATOM 0 HB ILE A 61 9.112 1.252 1.331 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.936 0.786 4.110 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.831 2.258 3.789 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.410 -0.528 1.746 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.011 -1.226 1.401 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.410 -1.162 3.075 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.440 2.639 3.647 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.205 2.886 2.059 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.296 1.391 2.385 1.00 11.42 H new ATOM 981 N GLN A 62 11.775 -1.258 2.668 1.00 13.97 N ATOM 982 CA GLN A 62 12.623 -2.254 2.129 1.00 15.52 C ATOM 983 C GLN A 62 11.835 -3.566 2.290 1.00 13.94 C ATOM 984 O GLN A 62 10.729 -3.555 2.841 1.00 12.15 O ATOM 985 CB GLN A 62 13.966 -2.381 2.848 1.00 19.53 C ATOM 986 CG GLN A 62 14.837 -1.123 2.847 1.00 26.38 C ATOM 987 CD GLN A 62 15.905 -1.322 3.925 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.730 -0.946 5.092 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.062 -1.951 3.552 1.00 32.71 N ATOM 0 H GLN A 62 11.592 -1.379 3.664 1.00 13.97 H new ATOM 0 HA GLN A 62 12.874 -2.004 1.098 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.778 -2.671 3.882 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.530 -3.192 2.387 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.297 -0.973 1.870 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.237 -0.237 3.056 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.189 -2.254 2.586 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.797 -2.117 4.240 1.00 32.71 H new ATOM 998 N LYS A 63 12.484 -4.645 1.745 1.00 11.73 N ATOM 999 CA LYS A 63 11.946 -5.991 1.775 1.00 11.97 C ATOM 1000 C LYS A 63 11.350 -6.483 3.117 1.00 10.41 C ATOM 1001 O LYS A 63 11.708 -5.963 4.157 1.00 9.59 O ATOM 1002 CB LYS A 63 13.136 -6.968 1.435 1.00 13.73 C ATOM 1003 CG LYS A 63 14.379 -7.026 2.355 1.00 16.98 C ATOM 1004 CD LYS A 63 15.418 -8.035 1.935 1.00 20.19 C ATOM 1005 CE LYS A 63 16.596 -7.983 2.936 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.147 -8.430 4.285 1.00 25.97 N ATOM 0 H LYS A 63 13.390 -4.576 1.281 1.00 11.73 H new ATOM 0 HA LYS A 63 11.116 -5.981 1.069 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.723 -7.976 1.384 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.486 -6.716 0.434 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.840 -6.039 2.385 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.055 -7.257 3.370 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.985 -9.035 1.913 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.770 -7.817 0.927 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.408 -8.620 2.586 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.989 -6.968 2.994 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.804 -9.150 4.649 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.131 -7.617 4.933 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.192 -8.836 4.216 1.00 25.97 H new ATOM 1020 N GLU A 64 10.347 -7.380 3.112 1.00 10.04 N ATOM 1021 CA GLU A 64 9.890 -8.059 4.232 1.00 10.94 C ATOM 1022 C GLU A 64 9.190 -7.133 5.226 1.00 9.74 C ATOM 1023 O GLU A 64 9.059 -7.439 6.415 1.00 9.42 O ATOM 1024 CB GLU A 64 11.009 -8.883 4.945 1.00 18.31 C ATOM 1025 CG GLU A 64 11.786 -9.785 3.991 1.00 24.16 C ATOM 1026 CD GLU A 64 12.896 -10.498 4.734 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.559 -11.289 5.675 1.00 31.72 O ATOM 1028 OE2 GLU A 64 14.106 -10.221 4.495 1.00 32.61 O ATOM 0 H GLU A 64 9.841 -7.629 2.262 1.00 10.04 H new ATOM 0 HA GLU A 64 9.154 -8.770 3.857 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.702 -8.198 5.433 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.560 -9.494 5.728 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.113 -10.514 3.540 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.205 -9.192 3.178 1.00 24.16 H new ATOM 1035 N SER A 65 8.577 -6.041 4.732 1.00 6.85 N ATOM 1036 CA SER A 65 7.999 -5.029 5.575 1.00 6.90 C ATOM 1037 C SER A 65 6.501 -5.130 5.506 1.00 4.72 C ATOM 1038 O SER A 65 5.940 -5.259 4.388 1.00 3.91 O ATOM 1039 CB SER A 65 8.243 -3.691 5.006 1.00 7.28 C ATOM 1040 OG SER A 65 9.639 -3.296 5.146 1.00 10.56 O ATOM 0 H SER A 65 8.479 -5.854 3.734 1.00 6.85 H new ATOM 0 HA SER A 65 8.419 -5.163 6.572 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.967 -3.687 3.952 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.606 -2.961 5.505 1.00 7.28 H new ATOM 0 HG SER A 65 10.169 -3.710 4.433 1.00 10.56 H new ATOM 1046 N THR A 66 5.818 -5.060 6.647 1.00 4.48 N ATOM 1047 CA THR A 66 4.384 -5.170 6.603 1.00 3.80 C ATOM 1048 C THR A 66 3.777 -3.789 6.538 1.00 4.60 C ATOM 1049 O THR A 66 4.032 -2.958 7.391 1.00 5.33 O ATOM 1050 CB THR A 66 3.809 -5.873 7.819 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.360 -7.138 7.976 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.287 -6.060 7.653 1.00 3.40 C ATOM 0 H THR A 66 6.225 -4.932 7.573 1.00 4.48 H new ATOM 0 HA THR A 66 4.142 -5.761 5.720 1.00 3.80 H new ATOM 0 HB THR A 66 4.039 -5.253 8.686 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.973 -7.567 8.767 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.885 -6.565 8.531 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.810 -5.086 7.545 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.089 -6.661 6.766 1.00 3.40 H new ATOM 1060 N LEU A 67 2.959 -3.513 5.480 1.00 4.17 N ATOM 1061 CA LEU A 67 2.280 -2.269 5.237 1.00 3.85 C ATOM 1062 C LEU A 67 0.794 -2.399 5.601 1.00 3.80 C ATOM 1063 O LEU A 67 0.291 -3.475 5.341 1.00 5.54 O ATOM 1064 CB LEU A 67 2.435 -1.910 3.723 1.00 7.18 C ATOM 1065 CG LEU A 67 3.878 -1.669 3.064 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.761 -1.407 1.520 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.666 -0.599 3.828 1.00 11.66 C ATOM 0 H LEU A 67 2.767 -4.206 4.757 1.00 4.17 H new ATOM 0 HA LEU A 67 2.714 -1.481 5.852 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.957 -2.710 3.157 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.852 -1.005 3.550 1.00 7.18 H new ATOM 0 HG LEU A 67 4.465 -2.582 3.159 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.755 -1.247 1.102 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.299 -2.269 1.039 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.148 -0.523 1.346 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.639 -0.458 3.357 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.115 0.341 3.810 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.805 -0.918 4.861 1.00 11.66 H new ATOM 1079 N HIS A 68 0.101 -1.402 6.181 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.273 -1.534 6.540 1.00 4.17 C ATOM 1081 C HIS A 68 -2.181 -1.040 5.489 1.00 5.32 C ATOM 1082 O HIS A 68 -1.896 -0.024 4.894 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.655 -0.814 7.893 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.845 -1.257 9.051 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.463 -0.983 9.119 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.152 -1.916 10.171 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.888 -1.394 10.356 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.099 -2.011 11.050 1.00 16.30 N ATOM 0 H HIS A 68 0.503 -0.491 6.403 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.401 -2.608 6.671 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.536 0.262 7.768 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.708 -0.996 8.107 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.033 -0.552 8.392 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.129 -2.332 10.367 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.889 -1.244 10.732 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.307 -1.661 5.205 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.313 -1.227 4.217 1.00 3.97 C ATOM 1098 C LEU A 69 -5.597 -1.020 4.964 1.00 5.07 C ATOM 1099 O LEU A 69 -6.238 -1.975 5.421 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.514 -2.419 3.227 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.605 -2.275 2.129 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.467 -1.071 1.191 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.719 -3.525 1.346 1.00 9.96 C ATOM 0 H LEU A 69 -3.573 -2.528 5.673 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.014 -0.321 3.690 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.562 -2.606 2.730 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.746 -3.307 3.815 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.521 -2.080 2.687 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.284 -1.077 0.469 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.504 -0.150 1.773 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.515 -1.129 0.663 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.487 -3.407 0.582 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.764 -3.744 0.869 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.990 -4.346 2.009 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.000 0.264 5.111 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.230 0.656 5.802 1.00 6.26 C ATOM 1117 C VAL A 70 -8.190 1.172 4.757 1.00 9.22 C ATOM 1118 O VAL A 70 -7.976 2.252 4.262 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.885 1.722 6.795 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.128 2.161 7.570 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.824 1.304 7.732 1.00 8.54 C ATOM 0 H VAL A 70 -5.470 1.056 4.747 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.691 -0.177 6.333 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.498 2.566 6.225 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.855 2.936 8.286 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.870 2.554 6.875 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.546 1.306 8.102 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.614 2.115 8.429 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.154 0.425 8.286 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.920 1.063 7.173 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.302 0.430 4.494 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.151 0.833 3.454 1.00 16.06 C ATOM 1133 C LEU A 71 -11.057 2.044 3.713 1.00 18.09 C ATOM 1134 O LEU A 71 -11.481 2.264 4.855 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.055 -0.242 2.804 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.323 -1.532 2.390 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.349 -2.379 1.633 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.158 -1.169 1.500 1.00 19.57 C ATOM 0 H LEU A 71 -9.583 -0.413 4.995 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.352 1.104 2.764 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.850 -0.500 3.503 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.532 0.188 1.923 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.930 -2.082 3.245 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.885 -3.312 1.312 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.193 -2.599 2.287 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.701 -1.830 0.760 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.632 -2.076 1.201 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.525 -0.653 0.613 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.475 -0.516 2.043 1.00 19.57 H new