USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 25 ASN : amide:sc= 0.0243 K(o=0.2,f=-3) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -120:sc= 0.176 (180deg=-0.00022) USER MOD Set 2.1: A 7 THR OG1 : rot 126:sc= 0.849 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.623 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 173:sc= 0.611 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 134:sc= 0.516 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0172 (180deg=-0.0172) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.29 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc=-0.00685 X(o=-0.0069,f=-0.0069) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0.972 (180deg=0.945) USER MOD Single : A 14 THR OG1 : rot 55:sc= 0.101 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00274 USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.07) USER MOD Single : A 31 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= 0.954 K(o=0.95,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.000515 K(o=-0.00052,f=-2!) USER MOD Single : A 55 THR OG1 : rot -52:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.857 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.559 K(o=0.56,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 96:sc= 1.05 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.091 -5.094 -3.562 1.00 0.78 N ATOM 2 CA MET A 1 12.627 -5.589 -2.248 1.00 0.70 C ATOM 3 C MET A 1 11.180 -5.943 -2.230 1.00 0.62 C ATOM 4 O MET A 1 10.389 -5.205 -2.815 1.00 0.68 O ATOM 5 CB MET A 1 13.010 -4.479 -1.253 1.00 0.75 C ATOM 6 CG MET A 1 12.304 -3.123 -1.305 1.00 0.79 C ATOM 7 SD MET A 1 12.899 -1.966 -0.035 1.00 1.10 S ATOM 8 CE MET A 1 11.226 -1.318 0.248 1.00 0.84 C ATOM 0 H1 MET A 1 14.108 -4.881 -3.514 1.00 0.78 H new ATOM 0 H2 MET A 1 12.923 -5.822 -4.286 1.00 0.78 H new ATOM 0 H3 MET A 1 12.568 -4.230 -3.812 1.00 0.78 H new ATOM 0 HA MET A 1 13.099 -6.535 -1.982 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.866 -4.880 -0.250 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.077 -4.293 -1.372 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.451 -2.680 -2.290 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.232 -3.272 -1.179 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.260 -0.547 1.017 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.840 -0.891 -0.677 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.573 -2.127 0.574 1.00 0.84 H new ATOM 20 N GLN A 2 10.751 -7.021 -1.549 1.00 0.59 N ATOM 21 CA GLN A 2 9.389 -7.451 -1.496 1.00 0.56 C ATOM 22 C GLN A 2 8.726 -7.051 -0.223 1.00 0.50 C ATOM 23 O GLN A 2 8.994 -7.572 0.860 1.00 0.60 O ATOM 24 CB GLN A 2 9.461 -8.980 -1.644 1.00 0.71 C ATOM 25 CG GLN A 2 8.102 -9.520 -2.095 1.00 1.15 C ATOM 26 CD GLN A 2 8.266 -10.917 -2.678 1.00 1.30 C ATOM 27 OE1 GLN A 2 7.971 -11.193 -3.840 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.957 -11.831 -1.948 1.00 1.72 N ATOM 0 H GLN A 2 11.381 -7.618 -1.013 1.00 0.59 H new ATOM 0 HA GLN A 2 8.787 -6.990 -2.279 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.229 -9.249 -2.370 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.746 -9.434 -0.695 1.00 0.71 H new ATOM 0 HG2 GLN A 2 7.414 -9.548 -1.250 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.666 -8.855 -2.840 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.213 -11.624 -0.982 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.220 -12.724 -2.366 1.00 1.72 H new ATOM 37 N ILE A 3 7.830 -6.052 -0.319 1.00 0.44 N ATOM 38 CA ILE A 3 7.037 -5.562 0.764 1.00 0.42 C ATOM 39 C ILE A 3 5.748 -6.300 0.872 1.00 0.40 C ATOM 40 O ILE A 3 5.202 -6.810 -0.105 1.00 0.50 O ATOM 41 CB ILE A 3 6.690 -4.109 0.633 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.008 -3.750 -0.698 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.978 -3.352 1.000 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.499 -2.311 -0.629 1.00 0.72 C ATOM 0 H ILE A 3 7.651 -5.563 -1.196 1.00 0.44 H new ATOM 0 HA ILE A 3 7.657 -5.711 1.648 1.00 0.42 H new ATOM 0 HB ILE A 3 5.898 -3.801 1.316 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.712 -3.860 -1.523 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.180 -4.432 -0.892 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.803 -2.279 0.927 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.270 -3.604 2.020 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.775 -3.637 0.314 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.014 -2.051 -1.570 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.782 -2.217 0.186 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.337 -1.637 -0.454 1.00 0.72 H new ATOM 56 N PHE A 4 5.143 -6.315 2.074 1.00 0.37 N ATOM 57 CA PHE A 4 3.903 -7.000 2.274 1.00 0.38 C ATOM 58 C PHE A 4 2.823 -5.978 2.358 1.00 0.39 C ATOM 59 O PHE A 4 2.978 -4.873 2.874 1.00 0.60 O ATOM 60 CB PHE A 4 3.961 -7.894 3.524 1.00 0.45 C ATOM 61 CG PHE A 4 5.121 -8.827 3.582 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.487 -9.629 2.527 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.823 -8.833 4.764 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.604 -10.427 2.599 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.936 -9.640 4.814 1.00 1.40 C ATOM 66 CZ PHE A 4 7.320 -10.452 3.773 1.00 0.85 C ATOM 0 H PHE A 4 5.512 -5.854 2.906 1.00 0.37 H new ATOM 0 HA PHE A 4 3.698 -7.669 1.438 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.984 -7.256 4.407 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.042 -8.478 3.577 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.888 -9.632 1.628 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.517 -8.235 5.610 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.913 -11.022 1.752 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.536 -9.636 5.712 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.175 -11.103 3.876 1.00 0.85 H new ATOM 76 N VAL A 5 1.665 -6.307 1.755 1.00 0.35 N ATOM 77 CA VAL A 5 0.523 -5.455 1.877 1.00 0.35 C ATOM 78 C VAL A 5 -0.531 -6.358 2.420 1.00 0.35 C ATOM 79 O VAL A 5 -1.004 -7.248 1.713 1.00 0.46 O ATOM 80 CB VAL A 5 0.177 -4.876 0.538 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.218 -4.231 0.623 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.267 -3.905 0.052 1.00 0.56 C ATOM 0 H VAL A 5 1.521 -7.146 1.194 1.00 0.35 H new ATOM 0 HA VAL A 5 0.670 -4.592 2.527 1.00 0.35 H new ATOM 0 HB VAL A 5 0.138 -5.665 -0.213 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.482 -3.806 -0.345 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.952 -4.988 0.899 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.209 -3.442 1.375 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.987 -3.502 -0.921 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.372 -3.089 0.767 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.215 -4.436 -0.034 1.00 0.56 H new ATOM 92 N LYS A 6 -1.034 -6.141 3.648 1.00 0.36 N ATOM 93 CA LYS A 6 -2.019 -6.939 4.310 1.00 0.39 C ATOM 94 C LYS A 6 -3.385 -6.369 4.143 1.00 0.46 C ATOM 95 O LYS A 6 -3.518 -5.146 4.106 1.00 0.53 O ATOM 96 CB LYS A 6 -1.731 -7.214 5.795 1.00 0.54 C ATOM 97 CG LYS A 6 -0.894 -8.482 5.976 1.00 1.22 C ATOM 98 CD LYS A 6 -1.104 -9.139 7.342 1.00 1.37 C ATOM 99 CE LYS A 6 -0.902 -10.636 7.585 1.00 1.93 C ATOM 100 NZ LYS A 6 0.222 -11.217 6.819 1.00 2.09 N ATOM 0 H LYS A 6 -0.730 -5.352 4.218 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.967 -7.908 3.813 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.204 -6.364 6.229 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.671 -7.317 6.337 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.148 -9.195 5.192 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.161 -8.236 5.854 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.446 -8.621 8.039 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.127 -8.912 7.641 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.730 -10.802 8.648 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.819 -11.164 7.324 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.375 -12.201 7.120 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.002 -11.196 5.804 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.085 -10.663 6.994 1.00 2.09 H new ATOM 114 N THR A 7 -4.420 -7.190 3.890 1.00 0.58 N ATOM 115 CA THR A 7 -5.792 -6.792 3.804 1.00 0.78 C ATOM 116 C THR A 7 -6.466 -6.912 5.127 1.00 0.94 C ATOM 117 O THR A 7 -5.814 -7.438 6.028 1.00 0.99 O ATOM 118 CB THR A 7 -6.683 -7.312 2.716 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.082 -8.664 2.890 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.911 -7.231 1.388 1.00 0.92 C ATOM 0 H THR A 7 -4.291 -8.190 3.737 1.00 0.58 H new ATOM 0 HA THR A 7 -5.663 -5.760 3.478 1.00 0.78 H new ATOM 0 HB THR A 7 -7.585 -6.701 2.733 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.059 -8.725 2.848 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.539 -7.604 0.579 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.639 -6.195 1.188 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.007 -7.837 1.455 1.00 0.92 H new ATOM 128 N LEU A 8 -7.668 -6.328 5.276 1.00 1.17 N ATOM 129 CA LEU A 8 -8.472 -6.528 6.442 1.00 1.39 C ATOM 130 C LEU A 8 -8.990 -7.924 6.506 1.00 1.44 C ATOM 131 O LEU A 8 -9.024 -8.574 7.551 1.00 1.60 O ATOM 132 CB LEU A 8 -9.716 -5.625 6.487 1.00 1.66 C ATOM 133 CG LEU A 8 -9.470 -4.125 6.719 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.782 -3.324 6.773 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.534 -3.883 7.916 1.00 2.43 C ATOM 0 H LEU A 8 -8.087 -5.710 4.581 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.807 -6.293 7.273 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.255 -5.740 5.547 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.373 -5.989 7.277 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.939 -3.735 5.851 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.558 -2.270 6.938 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.317 -3.438 5.830 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.402 -3.696 7.589 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.383 -2.812 8.049 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -8.981 -4.302 8.818 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.574 -4.364 7.730 1.00 2.43 H new ATOM 147 N THR A 9 -9.480 -8.399 5.348 1.00 1.41 N ATOM 148 CA THR A 9 -10.078 -9.687 5.173 1.00 1.51 C ATOM 149 C THR A 9 -9.143 -10.814 5.452 1.00 1.37 C ATOM 150 O THR A 9 -8.981 -11.430 6.505 1.00 1.62 O ATOM 151 CB THR A 9 -10.822 -9.770 3.874 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.893 -9.545 2.823 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.844 -8.626 3.779 1.00 2.08 C ATOM 0 H THR A 9 -9.458 -7.854 4.486 1.00 1.41 H new ATOM 0 HA THR A 9 -10.838 -9.810 5.944 1.00 1.51 H new ATOM 0 HB THR A 9 -11.314 -10.741 3.808 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.356 -9.596 1.961 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.380 -8.694 2.832 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.553 -8.702 4.603 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.325 -7.669 3.834 1.00 2.08 H new ATOM 161 N GLY A 10 -8.317 -11.135 4.441 1.00 1.18 N ATOM 162 CA GLY A 10 -7.318 -12.131 4.679 1.00 1.22 C ATOM 163 C GLY A 10 -6.320 -12.429 3.615 1.00 0.99 C ATOM 164 O GLY A 10 -5.964 -13.595 3.445 1.00 1.31 O ATOM 0 H GLY A 10 -8.334 -10.730 3.505 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.767 -11.836 5.572 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.833 -13.062 4.915 1.00 1.22 H new ATOM 168 N LYS A 11 -5.798 -11.413 2.906 1.00 0.73 N ATOM 169 CA LYS A 11 -4.877 -11.561 1.822 1.00 0.60 C ATOM 170 C LYS A 11 -3.650 -10.780 2.146 1.00 0.51 C ATOM 171 O LYS A 11 -3.727 -9.770 2.843 1.00 0.63 O ATOM 172 CB LYS A 11 -5.497 -11.009 0.527 1.00 0.75 C ATOM 173 CG LYS A 11 -4.557 -11.081 -0.678 1.00 0.87 C ATOM 174 CD LYS A 11 -5.230 -11.156 -2.049 1.00 1.04 C ATOM 175 CE LYS A 11 -4.269 -11.139 -3.239 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.007 -11.087 -4.521 1.00 1.40 N ATOM 0 H LYS A 11 -6.030 -10.439 3.099 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.638 -12.615 1.679 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.406 -11.567 0.302 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.791 -9.972 0.687 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.909 -10.205 -0.661 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.916 -11.955 -0.562 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.827 -12.067 -2.095 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.920 -10.318 -2.145 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.606 -10.277 -3.162 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.639 -12.028 -3.214 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.333 -11.128 -5.312 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.659 -11.895 -4.580 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.549 -10.201 -4.574 1.00 1.40 H new ATOM 190 N THR A 12 -2.446 -11.270 1.801 1.00 0.49 N ATOM 191 CA THR A 12 -1.178 -10.613 1.879 1.00 0.48 C ATOM 192 C THR A 12 -0.635 -10.586 0.491 1.00 0.52 C ATOM 193 O THR A 12 -0.477 -11.626 -0.145 1.00 0.72 O ATOM 194 CB THR A 12 -0.202 -11.285 2.798 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.863 -11.422 4.047 1.00 0.77 O ATOM 196 CG2 THR A 12 0.998 -10.342 2.991 1.00 0.78 C ATOM 0 H THR A 12 -2.354 -12.217 1.433 1.00 0.49 H new ATOM 0 HA THR A 12 -1.322 -9.617 2.297 1.00 0.48 H new ATOM 0 HB THR A 12 0.133 -12.246 2.407 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.727 -12.329 4.391 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.724 -10.809 3.657 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.465 -10.145 2.026 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.657 -9.403 3.427 1.00 0.78 H new ATOM 204 N ILE A 13 -0.406 -9.385 -0.071 1.00 0.48 N ATOM 205 CA ILE A 13 0.135 -9.155 -1.373 1.00 0.55 C ATOM 206 C ILE A 13 1.589 -8.897 -1.171 1.00 0.51 C ATOM 207 O ILE A 13 2.059 -8.131 -0.332 1.00 0.56 O ATOM 208 CB ILE A 13 -0.562 -8.074 -2.142 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.075 -8.001 -1.872 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.431 -8.348 -3.650 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.682 -6.877 -2.710 1.00 1.55 C ATOM 0 H ILE A 13 -0.614 -8.516 0.420 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.022 -10.027 -2.008 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.090 -7.145 -1.824 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.547 -8.952 -2.121 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.259 -7.821 -0.813 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.938 -7.561 -4.208 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.623 -8.367 -3.926 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.885 -9.311 -3.886 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.754 -6.821 -2.522 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.217 -5.929 -2.439 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.509 -7.077 -3.767 1.00 1.55 H new ATOM 223 N THR A 14 2.431 -9.555 -1.987 1.00 0.55 N ATOM 224 CA THR A 14 3.858 -9.605 -2.066 1.00 0.54 C ATOM 225 C THR A 14 4.257 -8.834 -3.278 1.00 0.55 C ATOM 226 O THR A 14 4.310 -9.473 -4.327 1.00 0.72 O ATOM 227 CB THR A 14 4.437 -10.988 -2.129 1.00 0.67 C ATOM 228 OG1 THR A 14 3.601 -11.854 -2.883 1.00 1.08 O ATOM 229 CG2 THR A 14 4.476 -11.558 -0.702 1.00 1.03 C ATOM 0 H THR A 14 2.034 -10.152 -2.713 1.00 0.55 H new ATOM 0 HA THR A 14 4.255 -9.179 -1.144 1.00 0.54 H new ATOM 0 HB THR A 14 5.425 -10.927 -2.586 1.00 0.67 H new ATOM 0 HG1 THR A 14 3.441 -11.465 -3.768 1.00 1.08 H new ATOM 0 HG21 THR A 14 4.894 -12.564 -0.724 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.097 -10.921 -0.072 1.00 1.03 H new ATOM 0 HG23 THR A 14 3.465 -11.594 -0.297 1.00 1.03 H new ATOM 237 N LEU A 15 4.553 -7.527 -3.147 1.00 0.50 N ATOM 238 CA LEU A 15 4.930 -6.694 -4.246 1.00 0.55 C ATOM 239 C LEU A 15 6.401 -6.468 -4.307 1.00 0.52 C ATOM 240 O LEU A 15 6.983 -6.074 -3.297 1.00 0.58 O ATOM 241 CB LEU A 15 4.296 -5.293 -4.217 1.00 0.69 C ATOM 242 CG LEU A 15 2.772 -5.241 -4.020 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.318 -3.777 -4.153 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.155 -6.152 -5.094 1.00 1.55 C ATOM 0 H LEU A 15 4.529 -7.037 -2.252 1.00 0.50 H new ATOM 0 HA LEU A 15 4.569 -7.250 -5.111 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.765 -4.722 -3.416 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.538 -4.788 -5.152 1.00 0.69 H new ATOM 0 HG LEU A 15 2.455 -5.591 -3.038 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.238 -3.717 -4.017 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.814 -3.172 -3.394 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.580 -3.403 -5.143 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.070 -6.148 -4.995 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.430 -5.786 -6.083 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.527 -7.168 -4.967 1.00 1.55 H new ATOM 256 N GLU A 16 7.045 -6.661 -5.471 1.00 0.59 N ATOM 257 CA GLU A 16 8.405 -6.335 -5.772 1.00 0.63 C ATOM 258 C GLU A 16 8.542 -4.862 -5.952 1.00 0.65 C ATOM 259 O GLU A 16 8.042 -4.410 -6.981 1.00 0.81 O ATOM 260 CB GLU A 16 8.912 -7.088 -7.013 1.00 0.76 C ATOM 261 CG GLU A 16 8.608 -8.586 -6.950 1.00 1.41 C ATOM 262 CD GLU A 16 9.287 -9.357 -8.073 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.830 -9.257 -9.243 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.196 -10.142 -7.691 1.00 1.95 O ATOM 0 H GLU A 16 6.572 -7.082 -6.271 1.00 0.59 H new ATOM 0 HA GLU A 16 9.024 -6.652 -4.933 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.452 -6.664 -7.905 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.988 -6.942 -7.109 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.937 -8.982 -5.989 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.530 -8.739 -7.006 1.00 1.41 H new ATOM 271 N VAL A 17 9.158 -4.119 -5.015 1.00 0.61 N ATOM 272 CA VAL A 17 9.194 -2.691 -5.071 1.00 0.63 C ATOM 273 C VAL A 17 10.629 -2.315 -4.941 1.00 0.65 C ATOM 274 O VAL A 17 11.497 -3.135 -4.645 1.00 0.76 O ATOM 275 CB VAL A 17 8.306 -1.923 -4.136 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.860 -2.435 -4.242 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.816 -1.985 -2.686 1.00 0.92 C ATOM 0 H VAL A 17 9.638 -4.515 -4.207 1.00 0.61 H new ATOM 0 HA VAL A 17 8.754 -2.393 -6.023 1.00 0.63 H new ATOM 0 HB VAL A 17 8.326 -0.874 -4.433 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.224 -1.871 -3.560 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.502 -2.305 -5.263 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.828 -3.492 -3.978 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.146 -1.417 -2.040 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.846 -3.023 -2.355 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.818 -1.559 -2.634 1.00 0.92 H new ATOM 287 N GLU A 18 10.932 -1.015 -5.105 1.00 0.68 N ATOM 288 CA GLU A 18 12.169 -0.421 -4.699 1.00 0.74 C ATOM 289 C GLU A 18 11.812 0.731 -3.824 1.00 0.71 C ATOM 290 O GLU A 18 10.615 1.012 -3.867 1.00 0.74 O ATOM 291 CB GLU A 18 13.006 0.144 -5.859 1.00 0.88 C ATOM 292 CG GLU A 18 13.719 -0.805 -6.824 1.00 1.16 C ATOM 293 CD GLU A 18 14.794 -1.746 -6.299 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.846 -1.377 -5.712 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.550 -2.981 -6.326 1.00 2.35 O ATOM 0 H GLU A 18 10.290 -0.351 -5.538 1.00 0.68 H new ATOM 0 HA GLU A 18 12.767 -1.195 -4.218 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.348 0.777 -6.455 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.765 0.794 -5.424 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.955 -1.418 -7.302 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.173 -0.195 -7.605 1.00 1.16 H new ATOM 302 N PRO A 19 12.693 1.377 -3.120 1.00 0.74 N ATOM 303 CA PRO A 19 12.370 2.423 -2.195 1.00 0.74 C ATOM 304 C PRO A 19 12.017 3.684 -2.904 1.00 0.70 C ATOM 305 O PRO A 19 11.371 4.508 -2.257 1.00 0.74 O ATOM 306 CB PRO A 19 13.650 2.715 -1.414 1.00 0.86 C ATOM 307 CG PRO A 19 14.388 1.368 -1.438 1.00 0.95 C ATOM 308 CD PRO A 19 13.987 0.791 -2.806 1.00 0.82 C ATOM 0 HA PRO A 19 11.530 2.110 -1.575 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.237 3.505 -1.883 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.436 3.039 -0.396 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.467 1.495 -1.352 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.077 0.721 -0.618 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.725 1.042 -3.568 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.925 -0.297 -2.769 1.00 0.82 H new ATOM 316 N SER A 20 12.362 3.864 -4.191 1.00 0.70 N ATOM 317 CA SER A 20 12.030 4.983 -5.017 1.00 0.74 C ATOM 318 C SER A 20 10.642 4.995 -5.560 1.00 0.71 C ATOM 319 O SER A 20 10.152 6.027 -6.015 1.00 0.80 O ATOM 320 CB SER A 20 13.016 5.206 -6.176 1.00 0.89 C ATOM 321 OG SER A 20 12.952 4.297 -7.266 1.00 1.45 O ATOM 0 H SER A 20 12.917 3.171 -4.693 1.00 0.70 H new ATOM 0 HA SER A 20 12.106 5.808 -4.309 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.858 6.212 -6.565 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.027 5.176 -5.770 1.00 0.89 H new ATOM 0 HG SER A 20 13.623 4.543 -7.937 1.00 1.45 H new ATOM 327 N ASP A 21 9.836 3.926 -5.427 1.00 0.70 N ATOM 328 CA ASP A 21 8.477 3.924 -5.870 1.00 0.73 C ATOM 329 C ASP A 21 7.583 4.715 -4.977 1.00 0.64 C ATOM 330 O ASP A 21 7.717 4.741 -3.755 1.00 0.66 O ATOM 331 CB ASP A 21 7.897 2.506 -5.985 1.00 0.87 C ATOM 332 CG ASP A 21 8.678 1.608 -6.934 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.811 1.912 -8.149 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.015 0.459 -6.537 1.00 1.69 O ATOM 0 H ASP A 21 10.134 3.047 -5.004 1.00 0.70 H new ATOM 0 HA ASP A 21 8.508 4.386 -6.857 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.878 2.048 -4.996 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.864 2.571 -6.326 1.00 0.87 H new ATOM 339 N THR A 22 6.669 5.496 -5.580 1.00 0.63 N ATOM 340 CA THR A 22 5.659 6.279 -4.940 1.00 0.58 C ATOM 341 C THR A 22 4.529 5.428 -4.470 1.00 0.53 C ATOM 342 O THR A 22 4.386 4.276 -4.877 1.00 0.58 O ATOM 343 CB THR A 22 5.136 7.398 -5.791 1.00 0.63 C ATOM 344 OG1 THR A 22 4.748 6.918 -7.070 1.00 0.70 O ATOM 345 CG2 THR A 22 6.327 8.346 -6.011 1.00 0.75 C ATOM 0 H THR A 22 6.635 5.586 -6.595 1.00 0.63 H new ATOM 0 HA THR A 22 6.150 6.736 -4.081 1.00 0.58 H new ATOM 0 HB THR A 22 4.279 7.870 -5.311 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.408 7.662 -7.609 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.013 9.188 -6.627 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.682 8.713 -5.048 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.131 7.809 -6.514 1.00 0.75 H new ATOM 353 N ILE A 23 3.818 5.921 -3.442 1.00 0.51 N ATOM 354 CA ILE A 23 2.624 5.348 -2.903 1.00 0.48 C ATOM 355 C ILE A 23 1.583 5.137 -3.948 1.00 0.48 C ATOM 356 O ILE A 23 0.949 4.082 -3.948 1.00 0.51 O ATOM 357 CB ILE A 23 2.149 6.177 -1.747 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.176 6.564 -0.670 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.805 5.712 -1.159 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.785 5.353 0.035 1.00 0.73 C ATOM 0 H ILE A 23 4.095 6.774 -2.956 1.00 0.51 H new ATOM 0 HA ILE A 23 2.846 4.350 -2.525 1.00 0.48 H new ATOM 0 HB ILE A 23 1.973 7.133 -2.241 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.973 7.149 -1.129 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.695 7.205 0.069 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.528 6.360 -0.328 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.035 5.760 -1.929 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.899 4.686 -0.803 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.502 5.690 0.784 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.995 4.780 0.521 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.293 4.724 -0.696 1.00 0.73 H new ATOM 372 N GLU A 24 1.452 6.047 -4.930 1.00 0.50 N ATOM 373 CA GLU A 24 0.784 5.879 -6.183 1.00 0.53 C ATOM 374 C GLU A 24 1.195 4.710 -7.012 1.00 0.50 C ATOM 375 O GLU A 24 0.376 3.911 -7.463 1.00 0.55 O ATOM 376 CB GLU A 24 0.804 7.219 -6.936 1.00 0.64 C ATOM 377 CG GLU A 24 -0.219 7.247 -8.073 1.00 0.95 C ATOM 378 CD GLU A 24 -0.027 8.493 -8.926 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.075 8.665 -9.513 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.880 9.416 -9.014 1.00 1.56 O ATOM 0 H GLU A 24 1.849 6.982 -4.837 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.244 5.600 -5.952 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.595 8.031 -6.239 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.801 7.394 -7.340 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.111 6.355 -8.690 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.229 7.231 -7.663 1.00 0.95 H new ATOM 387 N ASN A 25 2.507 4.459 -7.167 1.00 0.51 N ATOM 388 CA ASN A 25 2.981 3.267 -7.796 1.00 0.52 C ATOM 389 C ASN A 25 2.500 1.988 -7.200 1.00 0.47 C ATOM 390 O ASN A 25 2.190 1.050 -7.934 1.00 0.53 O ATOM 391 CB ASN A 25 4.514 3.369 -7.740 1.00 0.64 C ATOM 392 CG ASN A 25 5.154 2.457 -8.777 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.602 1.358 -8.453 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.060 2.809 -10.088 1.00 1.57 N ATOM 0 H ASN A 25 3.245 5.089 -6.853 1.00 0.51 H new ATOM 0 HA ASN A 25 2.584 3.218 -8.810 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.821 4.400 -7.916 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.865 3.098 -6.744 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.363 2.159 -10.814 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.687 3.723 -10.345 1.00 1.57 H new ATOM 401 N VAL A 26 2.477 1.919 -5.857 1.00 0.45 N ATOM 402 CA VAL A 26 2.024 0.761 -5.153 1.00 0.44 C ATOM 403 C VAL A 26 0.573 0.470 -5.322 1.00 0.40 C ATOM 404 O VAL A 26 0.246 -0.684 -5.591 1.00 0.44 O ATOM 405 CB VAL A 26 2.234 0.929 -3.677 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.811 -0.333 -2.907 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.719 1.248 -3.434 1.00 0.62 C ATOM 0 H VAL A 26 2.778 2.681 -5.250 1.00 0.45 H new ATOM 0 HA VAL A 26 2.606 -0.057 -5.578 1.00 0.44 H new ATOM 0 HB VAL A 26 1.613 1.747 -3.310 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.975 -0.180 -1.840 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.755 -0.532 -3.087 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.403 -1.182 -3.247 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.894 1.374 -2.366 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.333 0.429 -3.808 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.984 2.167 -3.956 1.00 0.62 H new ATOM 417 N LYS A 27 -0.306 1.489 -5.340 1.00 0.40 N ATOM 418 CA LYS A 27 -1.680 1.368 -5.717 1.00 0.41 C ATOM 419 C LYS A 27 -1.952 0.956 -7.123 1.00 0.38 C ATOM 420 O LYS A 27 -2.940 0.303 -7.456 1.00 0.42 O ATOM 421 CB LYS A 27 -2.483 2.654 -5.459 1.00 0.51 C ATOM 422 CG LYS A 27 -2.545 3.285 -4.066 1.00 0.76 C ATOM 423 CD LYS A 27 -3.452 4.485 -3.784 1.00 0.82 C ATOM 424 CE LYS A 27 -3.509 4.922 -2.319 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.195 6.202 -2.034 1.00 1.11 N ATOM 0 H LYS A 27 -0.046 2.440 -5.080 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.004 0.553 -5.069 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.092 3.414 -6.135 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.510 2.454 -5.764 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.833 2.496 -3.371 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.530 3.584 -3.805 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.112 5.328 -4.386 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.462 4.244 -4.115 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.004 4.136 -1.748 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.488 4.993 -1.945 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.485 6.226 -1.036 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.547 6.993 -2.225 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.035 6.288 -2.641 1.00 1.11 H new ATOM 439 N ALA A 28 -1.064 1.229 -8.094 1.00 0.39 N ATOM 440 CA ALA A 28 -1.047 0.736 -9.437 1.00 0.39 C ATOM 441 C ALA A 28 -0.835 -0.736 -9.534 1.00 0.36 C ATOM 442 O ALA A 28 -1.670 -1.512 -9.993 1.00 0.42 O ATOM 443 CB ALA A 28 0.073 1.449 -10.212 1.00 0.51 C ATOM 0 H ALA A 28 -0.280 1.858 -7.920 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.030 0.941 -9.860 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.096 1.082 -11.238 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.113 2.523 -10.215 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.031 1.249 -9.733 1.00 0.51 H new ATOM 449 N LYS A 29 0.168 -1.238 -8.791 1.00 0.39 N ATOM 450 CA LYS A 29 0.466 -2.614 -8.531 1.00 0.43 C ATOM 451 C LYS A 29 -0.629 -3.436 -7.943 1.00 0.44 C ATOM 452 O LYS A 29 -0.985 -4.553 -8.316 1.00 0.54 O ATOM 453 CB LYS A 29 1.764 -2.857 -7.742 1.00 0.54 C ATOM 454 CG LYS A 29 2.958 -2.054 -8.261 1.00 0.65 C ATOM 455 CD LYS A 29 4.298 -2.671 -7.858 1.00 1.08 C ATOM 456 CE LYS A 29 5.537 -1.789 -8.026 1.00 1.24 C ATOM 457 NZ LYS A 29 5.713 -1.494 -9.466 1.00 1.44 N ATOM 0 H LYS A 29 0.834 -0.619 -8.328 1.00 0.39 H new ATOM 0 HA LYS A 29 0.606 -2.968 -9.552 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.595 -2.605 -6.695 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.008 -3.919 -7.779 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.904 -1.989 -9.348 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.901 -1.035 -7.878 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.234 -2.972 -6.812 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.444 -3.579 -8.443 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.423 -0.864 -7.461 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.418 -2.295 -7.633 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.636 -1.853 -9.784 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.956 -1.955 -10.010 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.671 -0.466 -9.617 1.00 1.44 H new ATOM 471 N ILE A 30 -1.257 -2.938 -6.863 1.00 0.41 N ATOM 472 CA ILE A 30 -2.450 -3.442 -6.259 1.00 0.44 C ATOM 473 C ILE A 30 -3.630 -3.476 -7.168 1.00 0.45 C ATOM 474 O ILE A 30 -4.387 -4.444 -7.151 1.00 0.56 O ATOM 475 CB ILE A 30 -2.738 -2.721 -4.976 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.673 -2.841 -3.871 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.064 -3.257 -4.410 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.744 -1.675 -2.886 1.00 1.32 C ATOM 0 H ILE A 30 -0.900 -2.117 -6.375 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.257 -4.490 -6.030 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.763 -1.665 -5.244 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.811 -3.779 -3.334 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.682 -2.875 -4.323 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.294 -2.746 -3.475 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.865 -3.078 -5.128 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.975 -4.328 -4.226 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.976 -1.797 -2.122 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.580 -0.738 -3.419 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.726 -1.657 -2.414 1.00 1.32 H new ATOM 490 N GLN A 31 -3.858 -2.465 -8.025 1.00 0.41 N ATOM 491 CA GLN A 31 -4.880 -2.466 -9.025 1.00 0.48 C ATOM 492 C GLN A 31 -4.720 -3.562 -10.022 1.00 0.52 C ATOM 493 O GLN A 31 -5.691 -4.262 -10.310 1.00 0.66 O ATOM 494 CB GLN A 31 -4.959 -1.139 -9.798 1.00 0.52 C ATOM 495 CG GLN A 31 -6.101 -1.118 -10.817 1.00 0.70 C ATOM 496 CD GLN A 31 -6.333 0.270 -11.396 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.449 0.745 -11.597 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.267 0.978 -11.858 1.00 1.43 N ATOM 0 H GLN A 31 -3.305 -1.608 -8.020 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.800 -2.619 -8.461 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.092 -0.319 -9.092 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.014 -0.966 -10.313 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.876 -1.814 -11.626 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.017 -1.468 -10.340 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.320 0.626 -11.716 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.414 1.861 -12.346 1.00 1.43 H new ATOM 507 N ASP A 32 -3.453 -3.799 -10.401 1.00 0.50 N ATOM 508 CA ASP A 32 -3.102 -4.910 -11.230 1.00 0.60 C ATOM 509 C ASP A 32 -3.362 -6.266 -10.670 1.00 0.65 C ATOM 510 O ASP A 32 -3.947 -7.136 -11.313 1.00 0.81 O ATOM 511 CB ASP A 32 -1.632 -4.804 -11.673 1.00 0.67 C ATOM 512 CG ASP A 32 -1.236 -5.704 -12.835 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.480 -5.299 -14.003 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.634 -6.793 -12.641 1.00 1.55 O ATOM 0 H ASP A 32 -2.663 -3.214 -10.130 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.782 -4.828 -12.078 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.427 -3.770 -11.950 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.995 -5.038 -10.820 1.00 0.67 H new ATOM 519 N LYS A 33 -2.868 -6.451 -9.432 1.00 0.62 N ATOM 520 CA LYS A 33 -2.835 -7.662 -8.672 1.00 0.73 C ATOM 521 C LYS A 33 -4.223 -8.060 -8.302 1.00 0.69 C ATOM 522 O LYS A 33 -4.792 -9.049 -8.760 1.00 0.83 O ATOM 523 CB LYS A 33 -1.941 -7.639 -7.421 1.00 0.85 C ATOM 524 CG LYS A 33 -0.418 -7.615 -7.570 1.00 1.31 C ATOM 525 CD LYS A 33 0.198 -9.012 -7.667 1.00 1.71 C ATOM 526 CE LYS A 33 1.729 -9.017 -7.669 1.00 2.26 C ATOM 527 NZ LYS A 33 2.261 -10.288 -8.208 1.00 2.62 N ATOM 0 H LYS A 33 -2.452 -5.676 -8.916 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.373 -8.399 -9.329 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.224 -6.763 -6.837 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.195 -8.516 -6.825 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.155 -7.046 -8.462 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.016 -7.091 -6.718 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.156 -9.613 -6.830 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.158 -9.493 -8.578 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.097 -8.183 -8.267 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.097 -8.868 -6.654 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.301 -10.262 -8.197 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.928 -11.080 -7.622 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.929 -10.417 -9.185 1.00 2.62 H new ATOM 541 N GLU A 34 -4.929 -7.206 -7.539 1.00 0.63 N ATOM 542 CA GLU A 34 -6.182 -7.492 -6.913 1.00 0.67 C ATOM 543 C GLU A 34 -7.350 -7.049 -7.727 1.00 0.69 C ATOM 544 O GLU A 34 -8.193 -7.874 -8.072 1.00 0.95 O ATOM 545 CB GLU A 34 -6.171 -6.799 -5.541 1.00 0.73 C ATOM 546 CG GLU A 34 -7.344 -7.228 -4.656 1.00 0.83 C ATOM 547 CD GLU A 34 -7.362 -8.542 -3.889 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.988 -9.498 -4.618 1.00 1.48 O ATOM 549 OE2 GLU A 34 -7.712 -8.638 -2.682 1.00 1.37 O ATOM 0 H GLU A 34 -4.604 -6.258 -7.348 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.296 -8.571 -6.809 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.234 -7.025 -5.031 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.204 -5.719 -5.683 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -7.482 -6.437 -3.919 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -8.229 -7.228 -5.293 1.00 0.83 H new ATOM 556 N GLY A 35 -7.472 -5.769 -8.122 1.00 0.63 N ATOM 557 CA GLY A 35 -8.537 -5.330 -8.971 1.00 0.68 C ATOM 558 C GLY A 35 -9.172 -4.031 -8.610 1.00 0.76 C ATOM 559 O GLY A 35 -10.105 -3.538 -9.242 1.00 1.12 O ATOM 0 H GLY A 35 -6.824 -5.030 -7.849 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.155 -5.254 -9.989 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.309 -6.099 -8.978 1.00 0.68 H new ATOM 563 N ILE A 36 -8.701 -3.410 -7.513 1.00 0.70 N ATOM 564 CA ILE A 36 -9.380 -2.310 -6.903 1.00 0.76 C ATOM 565 C ILE A 36 -8.853 -1.061 -7.520 1.00 0.71 C ATOM 566 O ILE A 36 -7.649 -0.817 -7.580 1.00 0.73 O ATOM 567 CB ILE A 36 -9.017 -2.355 -5.447 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.272 -3.735 -4.817 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.955 -1.349 -4.759 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.852 -3.706 -3.349 1.00 1.16 C ATOM 0 H ILE A 36 -7.836 -3.676 -7.043 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.461 -2.349 -7.033 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.956 -2.133 -5.329 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.327 -3.996 -4.900 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.711 -4.501 -5.352 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.746 -1.329 -3.689 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.794 -0.356 -5.179 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.991 -1.648 -4.920 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.032 -4.683 -2.900 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.792 -3.464 -3.279 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.433 -2.951 -2.819 1.00 1.16 H new ATOM 582 N PRO A 37 -9.632 -0.097 -7.914 1.00 0.75 N ATOM 583 CA PRO A 37 -9.117 1.158 -8.381 1.00 0.79 C ATOM 584 C PRO A 37 -8.315 1.919 -7.382 1.00 0.75 C ATOM 585 O PRO A 37 -8.612 1.736 -6.203 1.00 0.75 O ATOM 586 CB PRO A 37 -10.317 1.897 -8.969 1.00 0.95 C ATOM 587 CG PRO A 37 -11.434 0.857 -9.161 1.00 1.02 C ATOM 588 CD PRO A 37 -11.061 -0.236 -8.147 1.00 0.85 C ATOM 0 HA PRO A 37 -8.356 1.008 -9.147 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.643 2.695 -8.302 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.056 2.363 -9.919 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.418 1.279 -8.957 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.457 0.472 -10.180 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.621 -0.115 -7.220 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.298 -1.226 -8.536 1.00 0.85 H new ATOM 596 N PRO A 38 -7.383 2.760 -7.720 1.00 0.81 N ATOM 597 CA PRO A 38 -6.612 3.424 -6.710 1.00 0.85 C ATOM 598 C PRO A 38 -7.425 4.477 -6.039 1.00 0.89 C ATOM 599 O PRO A 38 -7.083 4.868 -4.924 1.00 0.99 O ATOM 600 CB PRO A 38 -5.492 4.103 -7.495 1.00 1.01 C ATOM 601 CG PRO A 38 -5.285 3.166 -8.696 1.00 1.25 C ATOM 602 CD PRO A 38 -6.728 2.745 -9.019 1.00 0.98 C ATOM 0 HA PRO A 38 -6.262 2.735 -5.941 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.774 5.107 -7.812 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.584 4.200 -6.899 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.810 3.675 -9.535 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.656 2.312 -8.445 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.202 3.436 -9.716 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.765 1.756 -9.476 1.00 0.98 H new ATOM 610 N ASP A 39 -8.542 4.997 -6.578 1.00 0.96 N ATOM 611 CA ASP A 39 -9.412 5.852 -5.831 1.00 1.11 C ATOM 612 C ASP A 39 -10.083 5.257 -4.640 1.00 1.00 C ATOM 613 O ASP A 39 -10.414 5.949 -3.680 1.00 1.14 O ATOM 614 CB ASP A 39 -10.366 6.641 -6.741 1.00 1.39 C ATOM 615 CG ASP A 39 -9.746 7.224 -8.002 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.172 8.345 -7.964 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.746 6.506 -9.039 1.00 2.25 O ATOM 0 H ASP A 39 -8.844 4.824 -7.537 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.730 6.564 -5.366 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.186 5.985 -7.032 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.800 7.456 -6.162 1.00 1.39 H new ATOM 622 N GLN A 40 -10.303 3.932 -4.710 1.00 0.87 N ATOM 623 CA GLN A 40 -10.947 3.238 -3.640 1.00 0.84 C ATOM 624 C GLN A 40 -9.980 2.817 -2.588 1.00 0.67 C ATOM 625 O GLN A 40 -10.328 2.686 -1.416 1.00 0.80 O ATOM 626 CB GLN A 40 -11.857 2.178 -4.286 1.00 0.95 C ATOM 627 CG GLN A 40 -12.493 2.726 -5.565 1.00 1.32 C ATOM 628 CD GLN A 40 -13.466 1.693 -6.113 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.717 0.573 -5.668 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.226 2.142 -7.148 1.00 2.02 N ATOM 0 H GLN A 40 -10.037 3.346 -5.501 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.606 3.867 -3.041 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.278 1.284 -4.515 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.636 1.882 -3.583 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.013 3.661 -5.357 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.723 2.948 -6.304 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.051 3.065 -7.546 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.971 1.556 -7.526 1.00 2.02 H new ATOM 639 N GLN A 41 -8.694 2.671 -2.958 1.00 0.56 N ATOM 640 CA GLN A 41 -7.674 2.241 -2.053 1.00 0.51 C ATOM 641 C GLN A 41 -7.085 3.197 -1.073 1.00 0.49 C ATOM 642 O GLN A 41 -6.681 4.298 -1.440 1.00 0.65 O ATOM 643 CB GLN A 41 -6.427 1.791 -2.834 1.00 0.67 C ATOM 644 CG GLN A 41 -6.668 0.564 -3.716 1.00 0.69 C ATOM 645 CD GLN A 41 -5.443 0.240 -4.558 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.311 0.277 -4.079 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.677 0.027 -5.881 1.00 0.61 N ATOM 0 H GLN A 41 -8.357 2.855 -3.903 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.240 1.494 -1.497 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.082 2.615 -3.458 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.626 1.569 -2.128 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.919 -0.293 -3.090 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.523 0.744 -4.368 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.634 0.005 -6.232 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.895 -0.110 -6.522 1.00 0.61 H new ATOM 656 N ARG A 42 -6.921 2.813 0.206 1.00 0.47 N ATOM 657 CA ARG A 42 -6.281 3.622 1.196 1.00 0.55 C ATOM 658 C ARG A 42 -5.154 2.791 1.707 1.00 0.46 C ATOM 659 O ARG A 42 -5.321 1.648 2.128 1.00 0.52 O ATOM 660 CB ARG A 42 -7.262 3.931 2.339 1.00 0.73 C ATOM 661 CG ARG A 42 -6.654 4.749 3.481 1.00 1.04 C ATOM 662 CD ARG A 42 -7.638 5.646 4.233 1.00 1.28 C ATOM 663 NE ARG A 42 -8.642 4.756 4.881 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.858 5.232 5.282 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.378 6.381 4.763 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.656 4.435 6.051 1.00 2.78 N ATOM 0 H ARG A 42 -7.243 1.913 0.562 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.941 4.574 0.789 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.117 4.473 1.933 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.642 2.992 2.741 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.194 4.064 4.193 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.856 5.371 3.076 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.118 6.246 4.980 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.125 6.341 3.549 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.417 3.772 5.028 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.857 6.905 4.060 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.288 6.717 5.078 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.341 3.502 6.316 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.567 4.773 6.360 1.00 2.78 H new ATOM 680 N LEU A 43 -3.915 3.304 1.795 1.00 0.46 N ATOM 681 CA LEU A 43 -2.780 2.630 2.348 1.00 0.42 C ATOM 682 C LEU A 43 -2.257 3.272 3.587 1.00 0.43 C ATOM 683 O LEU A 43 -2.299 4.501 3.589 1.00 0.55 O ATOM 684 CB LEU A 43 -1.597 2.466 1.380 1.00 0.55 C ATOM 685 CG LEU A 43 -1.876 1.682 0.088 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.668 1.729 -0.863 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.047 0.197 0.451 1.00 1.12 C ATOM 0 H LEU A 43 -3.692 4.242 1.462 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.186 1.645 2.577 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.239 3.459 1.107 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.786 1.970 1.913 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.756 2.119 -0.384 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.895 1.166 -1.768 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.451 2.765 -1.125 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.200 1.290 -0.371 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.246 -0.378 -0.453 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.135 -0.170 0.921 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.882 0.085 1.143 1.00 1.12 H new ATOM 699 N ILE A 44 -1.700 2.560 4.584 1.00 0.42 N ATOM 700 CA ILE A 44 -1.362 2.997 5.902 1.00 0.46 C ATOM 701 C ILE A 44 -0.109 2.257 6.219 1.00 0.42 C ATOM 702 O ILE A 44 -0.035 1.072 5.898 1.00 0.53 O ATOM 703 CB ILE A 44 -2.413 2.694 6.928 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.650 3.571 6.671 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.000 2.912 8.392 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.847 3.172 7.534 1.00 1.27 C ATOM 0 H ILE A 44 -1.464 1.577 4.449 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.258 4.082 5.929 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.606 1.628 6.810 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.398 4.613 6.866 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.927 3.502 5.619 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.835 2.663 9.047 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.150 2.273 8.629 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.722 3.955 8.540 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.691 3.825 7.310 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.121 2.139 7.321 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.584 3.268 8.587 1.00 1.27 H new ATOM 718 N PHE A 45 0.910 2.897 6.819 1.00 0.42 N ATOM 719 CA PHE A 45 2.051 2.202 7.328 1.00 0.46 C ATOM 720 C PHE A 45 2.001 2.486 8.790 1.00 0.68 C ATOM 721 O PHE A 45 2.027 3.649 9.188 1.00 1.50 O ATOM 722 CB PHE A 45 3.366 2.597 6.635 1.00 0.56 C ATOM 723 CG PHE A 45 4.499 1.787 7.164 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.470 0.416 7.243 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.673 2.468 7.391 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.562 -0.269 7.719 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.787 1.750 7.753 1.00 1.33 C ATOM 728 CZ PHE A 45 6.711 0.410 8.050 1.00 1.02 C ATOM 0 H PHE A 45 0.943 3.908 6.953 1.00 0.42 H new ATOM 0 HA PHE A 45 2.024 1.131 7.128 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.276 2.448 5.559 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.564 3.657 6.794 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.588 -0.124 6.931 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.718 3.542 7.287 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.518 -1.342 7.833 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.743 2.249 7.805 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.534 -0.097 8.532 1.00 1.02 H new ATOM 738 N ALA A 46 1.969 1.497 9.701 1.00 0.81 N ATOM 739 CA ALA A 46 1.856 1.667 11.117 1.00 0.96 C ATOM 740 C ALA A 46 0.602 2.296 11.619 1.00 0.97 C ATOM 741 O ALA A 46 -0.350 1.585 11.935 1.00 1.21 O ATOM 742 CB ALA A 46 3.153 2.241 11.711 1.00 1.20 C ATOM 0 H ALA A 46 2.026 0.515 9.430 1.00 0.81 H new ATOM 0 HA ALA A 46 1.736 0.659 11.514 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.038 2.360 12.788 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.979 1.560 11.507 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.362 3.211 11.259 1.00 1.20 H new ATOM 748 N GLY A 47 0.567 3.636 11.735 1.00 0.99 N ATOM 749 CA GLY A 47 -0.578 4.320 12.249 1.00 1.10 C ATOM 750 C GLY A 47 -0.770 5.496 11.355 1.00 1.03 C ATOM 751 O GLY A 47 -1.553 6.391 11.668 1.00 1.30 O ATOM 0 H GLY A 47 1.338 4.249 11.470 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.456 3.675 12.244 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.419 4.633 13.281 1.00 1.10 H new ATOM 755 N LYS A 48 0.004 5.657 10.267 1.00 0.98 N ATOM 756 CA LYS A 48 0.025 6.773 9.372 1.00 1.05 C ATOM 757 C LYS A 48 -0.541 6.521 8.017 1.00 0.84 C ATOM 758 O LYS A 48 -0.189 5.580 7.306 1.00 0.81 O ATOM 759 CB LYS A 48 1.460 7.320 9.288 1.00 1.42 C ATOM 760 CG LYS A 48 1.545 8.788 8.868 1.00 1.61 C ATOM 761 CD LYS A 48 3.046 9.089 8.856 1.00 1.87 C ATOM 762 CE LYS A 48 3.565 10.303 8.081 1.00 2.22 C ATOM 763 NZ LYS A 48 2.766 11.513 8.374 1.00 2.55 N ATOM 0 H LYS A 48 0.675 4.940 9.990 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.650 7.517 9.796 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.939 7.203 10.260 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.026 6.717 8.578 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.099 8.948 7.886 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.015 9.434 9.568 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.365 9.202 9.892 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.553 8.208 8.461 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.608 10.483 8.340 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.533 10.094 7.012 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 3.143 12.317 7.833 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 1.775 11.349 8.104 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.817 11.725 9.391 1.00 2.55 H new ATOM 777 N GLN A 49 -1.443 7.434 7.616 1.00 0.84 N ATOM 778 CA GLN A 49 -2.005 7.536 6.305 1.00 0.80 C ATOM 779 C GLN A 49 -0.977 8.011 5.336 1.00 0.72 C ATOM 780 O GLN A 49 -0.385 9.055 5.607 1.00 0.83 O ATOM 781 CB GLN A 49 -3.303 8.359 6.330 1.00 1.03 C ATOM 782 CG GLN A 49 -4.170 8.256 5.074 1.00 1.67 C ATOM 783 CD GLN A 49 -5.328 9.244 5.123 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.450 8.780 5.316 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.065 10.578 5.126 1.00 2.48 N ATOM 0 H GLN A 49 -1.803 8.148 8.250 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.305 6.550 5.949 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.897 8.043 7.188 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.046 9.406 6.489 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.561 8.449 4.191 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.557 7.242 4.978 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.115 10.911 4.960 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -5.817 11.246 5.294 1.00 2.48 H new ATOM 794 N LEU A 50 -0.723 7.429 4.151 1.00 0.69 N ATOM 795 CA LEU A 50 0.428 7.765 3.371 1.00 0.66 C ATOM 796 C LEU A 50 -0.068 8.719 2.338 1.00 0.72 C ATOM 797 O LEU A 50 -1.277 8.710 2.113 1.00 0.90 O ATOM 798 CB LEU A 50 0.997 6.493 2.721 1.00 0.65 C ATOM 799 CG LEU A 50 1.372 5.506 3.840 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.773 4.178 3.176 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.506 6.093 4.698 1.00 0.74 C ATOM 0 H LEU A 50 -1.321 6.719 3.729 1.00 0.69 H new ATOM 0 HA LEU A 50 1.228 8.205 3.966 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.261 6.047 2.052 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.872 6.734 2.118 1.00 0.65 H new ATOM 0 HG LEU A 50 0.531 5.328 4.510 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.045 3.455 3.945 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.934 3.793 2.596 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.624 4.344 2.516 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.766 5.389 5.488 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.379 6.275 4.072 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.177 7.032 5.143 1.00 0.74 H new ATOM 813 N GLU A 51 0.834 9.522 1.745 1.00 0.70 N ATOM 814 CA GLU A 51 0.520 10.402 0.661 1.00 0.76 C ATOM 815 C GLU A 51 0.992 9.921 -0.667 1.00 0.77 C ATOM 816 O GLU A 51 2.163 9.564 -0.784 1.00 1.23 O ATOM 817 CB GLU A 51 1.132 11.764 1.028 1.00 0.88 C ATOM 818 CG GLU A 51 0.750 12.941 0.127 1.00 1.35 C ATOM 819 CD GLU A 51 1.162 14.334 0.580 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.364 14.643 0.366 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.307 15.113 1.080 1.00 1.94 O ATOM 0 H GLU A 51 1.813 9.560 2.029 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.562 10.462 0.540 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.841 12.006 2.050 1.00 0.88 H new ATOM 0 HB3 GLU A 51 2.217 11.665 1.021 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.183 12.765 -0.858 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.333 12.934 0.005 1.00 1.35 H new ATOM 828 N ASP A 52 0.100 9.917 -1.674 1.00 0.66 N ATOM 829 CA ASP A 52 0.245 9.306 -2.958 1.00 0.65 C ATOM 830 C ASP A 52 1.473 9.567 -3.761 1.00 0.60 C ATOM 831 O ASP A 52 2.181 8.681 -4.236 1.00 0.62 O ATOM 832 CB ASP A 52 -1.014 9.618 -3.783 1.00 0.81 C ATOM 833 CG ASP A 52 -2.287 9.242 -3.039 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.874 10.030 -2.250 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.751 8.093 -3.270 1.00 1.44 O ATOM 0 H ASP A 52 -0.802 10.384 -1.578 1.00 0.66 H new ATOM 0 HA ASP A 52 0.372 8.249 -2.725 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.035 10.681 -4.025 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.972 9.076 -4.728 1.00 0.81 H new ATOM 840 N GLY A 53 1.789 10.867 -3.906 1.00 0.68 N ATOM 841 CA GLY A 53 2.988 11.420 -4.455 1.00 0.73 C ATOM 842 C GLY A 53 4.268 11.311 -3.700 1.00 0.72 C ATOM 843 O GLY A 53 5.353 11.465 -4.260 1.00 0.97 O ATOM 0 H GLY A 53 1.142 11.598 -3.610 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.144 10.955 -5.428 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.805 12.480 -4.633 1.00 0.73 H new ATOM 847 N ARG A 54 4.323 10.874 -2.429 1.00 0.64 N ATOM 848 CA ARG A 54 5.601 10.588 -1.853 1.00 0.63 C ATOM 849 C ARG A 54 6.129 9.223 -2.134 1.00 0.59 C ATOM 850 O ARG A 54 5.375 8.378 -2.614 1.00 0.62 O ATOM 851 CB ARG A 54 5.483 10.756 -0.329 1.00 0.69 C ATOM 852 CG ARG A 54 4.865 12.101 0.059 1.00 0.82 C ATOM 853 CD ARG A 54 5.405 12.604 1.399 1.00 1.18 C ATOM 854 NE ARG A 54 4.497 13.761 1.642 1.00 1.50 N ATOM 855 CZ ARG A 54 4.707 14.663 2.646 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.757 14.694 3.518 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.797 15.680 2.674 1.00 2.49 N ATOM 0 H ARG A 54 3.518 10.723 -1.820 1.00 0.64 H new ATOM 0 HA ARG A 54 6.306 11.282 -2.311 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.875 9.948 0.078 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.472 10.669 0.122 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.076 12.836 -0.718 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.781 12.001 0.118 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.335 11.850 2.183 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.451 12.904 1.338 1.00 1.18 H new ATOM 0 HE ARG A 54 3.687 13.884 1.035 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.492 13.990 3.456 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.806 15.421 4.231 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.048 15.713 1.982 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.866 16.407 3.386 1.00 2.49 H new ATOM 871 N THR A 55 7.430 8.936 -1.950 1.00 0.63 N ATOM 872 CA THR A 55 7.964 7.613 -2.038 1.00 0.61 C ATOM 873 C THR A 55 7.888 6.732 -0.838 1.00 0.59 C ATOM 874 O THR A 55 7.428 7.160 0.219 1.00 0.64 O ATOM 875 CB THR A 55 9.386 7.655 -2.514 1.00 0.68 C ATOM 876 OG1 THR A 55 10.290 8.243 -1.591 1.00 0.75 O ATOM 877 CG2 THR A 55 9.438 8.416 -3.849 1.00 0.76 C ATOM 0 H THR A 55 8.131 9.645 -1.734 1.00 0.63 H new ATOM 0 HA THR A 55 7.286 7.143 -2.750 1.00 0.61 H new ATOM 0 HB THR A 55 9.711 6.621 -2.630 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.954 9.123 -1.320 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.467 8.454 -4.206 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.817 7.904 -4.584 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.067 9.431 -3.704 1.00 0.76 H new ATOM 885 N LEU A 56 8.290 5.454 -0.951 1.00 0.58 N ATOM 886 CA LEU A 56 8.541 4.600 0.169 1.00 0.59 C ATOM 887 C LEU A 56 9.650 4.969 1.093 1.00 0.64 C ATOM 888 O LEU A 56 9.563 4.884 2.317 1.00 0.70 O ATOM 889 CB LEU A 56 8.668 3.154 -0.337 1.00 0.60 C ATOM 890 CG LEU A 56 7.430 2.569 -1.038 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.802 1.199 -1.628 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.238 2.397 -0.081 1.00 1.03 C ATOM 0 H LEU A 56 8.446 5.000 -1.851 1.00 0.58 H new ATOM 0 HA LEU A 56 7.677 4.727 0.821 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.509 3.106 -1.029 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.916 2.515 0.510 1.00 0.60 H new ATOM 0 HG LEU A 56 7.125 3.268 -1.817 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.934 0.771 -2.129 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.612 1.320 -2.347 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.124 0.533 -0.827 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.391 1.981 -0.626 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.516 1.722 0.728 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.962 3.366 0.334 1.00 1.03 H new ATOM 904 N SER A 57 10.682 5.611 0.516 1.00 0.68 N ATOM 905 CA SER A 57 11.860 6.100 1.163 1.00 0.75 C ATOM 906 C SER A 57 11.628 7.368 1.910 1.00 0.76 C ATOM 907 O SER A 57 12.254 7.605 2.942 1.00 0.84 O ATOM 908 CB SER A 57 12.963 6.299 0.110 1.00 0.84 C ATOM 909 OG SER A 57 14.197 6.666 0.708 1.00 1.19 O ATOM 0 H SER A 57 10.691 5.803 -0.486 1.00 0.68 H new ATOM 0 HA SER A 57 12.165 5.358 1.901 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.094 5.379 -0.459 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.657 7.070 -0.597 1.00 0.84 H new ATOM 0 HG SER A 57 14.876 6.783 0.011 1.00 1.19 H new ATOM 915 N ASP A 58 10.626 8.187 1.545 1.00 0.75 N ATOM 916 CA ASP A 58 10.162 9.313 2.295 1.00 0.78 C ATOM 917 C ASP A 58 9.555 8.904 3.594 1.00 0.77 C ATOM 918 O ASP A 58 9.637 9.586 4.613 1.00 0.86 O ATOM 919 CB ASP A 58 8.997 10.001 1.564 1.00 0.83 C ATOM 920 CG ASP A 58 9.609 10.812 0.431 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.351 11.794 0.704 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.215 10.587 -0.744 1.00 1.86 O ATOM 0 H ASP A 58 10.110 8.055 0.675 1.00 0.75 H new ATOM 0 HA ASP A 58 11.035 9.951 2.429 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.294 9.264 1.176 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.440 10.645 2.244 1.00 0.83 H new ATOM 927 N TYR A 59 8.880 7.749 3.728 1.00 0.72 N ATOM 928 CA TYR A 59 8.501 7.297 5.031 1.00 0.73 C ATOM 929 C TYR A 59 9.507 6.397 5.662 1.00 0.76 C ATOM 930 O TYR A 59 9.212 5.812 6.702 1.00 0.89 O ATOM 931 CB TYR A 59 7.170 6.530 4.957 1.00 0.73 C ATOM 932 CG TYR A 59 6.095 7.412 4.422 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.597 8.355 5.290 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.750 7.304 3.096 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.732 9.302 4.795 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.809 8.195 2.638 1.00 0.70 C ATOM 937 CZ TYR A 59 4.274 9.111 3.513 1.00 0.74 C ATOM 938 OH TYR A 59 3.315 10.014 3.008 1.00 0.86 O ATOM 0 H TYR A 59 8.602 7.142 2.957 1.00 0.72 H new ATOM 0 HA TYR A 59 8.416 8.195 5.643 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.282 5.654 4.319 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.895 6.169 5.948 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.878 8.352 6.333 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.193 6.561 2.450 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.427 10.154 5.384 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.494 8.176 1.605 1.00 0.70 H new ATOM 0 HH TYR A 59 3.442 10.892 3.423 1.00 0.86 H new ATOM 948 N ASN A 60 10.657 6.202 4.991 1.00 0.74 N ATOM 949 CA ASN A 60 11.579 5.253 5.534 1.00 0.79 C ATOM 950 C ASN A 60 11.296 3.798 5.682 1.00 0.75 C ATOM 951 O ASN A 60 11.856 3.119 6.541 1.00 0.86 O ATOM 952 CB ASN A 60 12.540 5.822 6.591 1.00 0.95 C ATOM 953 CG ASN A 60 12.980 7.233 6.227 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.515 8.248 6.742 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.997 7.335 5.330 1.00 1.83 N ATOM 0 H ASN A 60 10.938 6.667 4.128 1.00 0.74 H new ATOM 0 HA ASN A 60 12.074 5.119 4.572 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.051 5.830 7.565 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.414 5.176 6.678 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.372 8.252 5.086 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.385 6.495 4.901 1.00 1.83 H new ATOM 962 N ILE A 61 10.384 3.321 4.816 1.00 0.67 N ATOM 963 CA ILE A 61 9.856 1.995 4.732 1.00 0.65 C ATOM 964 C ILE A 61 10.917 1.035 4.313 1.00 0.66 C ATOM 965 O ILE A 61 11.540 1.265 3.277 1.00 0.75 O ATOM 966 CB ILE A 61 8.684 1.928 3.799 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.575 2.831 4.365 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.085 0.514 3.690 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.291 3.060 3.568 1.00 0.82 C ATOM 0 H ILE A 61 9.977 3.928 4.104 1.00 0.67 H new ATOM 0 HA ILE A 61 9.504 1.714 5.725 1.00 0.65 H new ATOM 0 HB ILE A 61 9.036 2.235 2.814 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.286 2.421 5.333 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.018 3.809 4.553 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.241 0.529 3.001 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.844 -0.175 3.319 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.746 0.186 4.673 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.630 3.723 4.126 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.535 3.515 2.608 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.792 2.106 3.401 1.00 0.82 H new ATOM 981 N GLN A 62 11.207 -0.005 5.115 1.00 0.67 N ATOM 982 CA GLN A 62 12.190 -1.019 4.894 1.00 0.70 C ATOM 983 C GLN A 62 11.644 -2.183 4.139 1.00 0.62 C ATOM 984 O GLN A 62 10.473 -2.321 3.792 1.00 0.64 O ATOM 985 CB GLN A 62 12.801 -1.389 6.257 1.00 0.85 C ATOM 986 CG GLN A 62 13.389 -0.202 7.022 1.00 1.27 C ATOM 987 CD GLN A 62 14.535 0.553 6.366 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.431 0.008 5.723 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.399 1.906 6.382 1.00 2.16 N ATOM 0 H GLN A 62 10.709 -0.147 5.994 1.00 0.67 H new ATOM 0 HA GLN A 62 12.984 -0.642 4.249 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.033 -1.859 6.872 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.584 -2.131 6.102 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.584 0.507 7.214 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.734 -0.563 7.991 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.649 2.337 6.922 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.047 2.490 5.854 1.00 2.16 H new ATOM 998 N LYS A 63 12.580 -3.095 3.824 1.00 0.64 N ATOM 999 CA LYS A 63 12.430 -4.374 3.202 1.00 0.62 C ATOM 1000 C LYS A 63 11.295 -5.237 3.634 1.00 0.59 C ATOM 1001 O LYS A 63 10.474 -5.819 2.927 1.00 0.66 O ATOM 1002 CB LYS A 63 13.752 -5.148 3.328 1.00 0.74 C ATOM 1003 CG LYS A 63 13.795 -6.430 2.494 1.00 0.89 C ATOM 1004 CD LYS A 63 15.209 -7.015 2.502 1.00 1.11 C ATOM 1005 CE LYS A 63 15.272 -8.261 1.618 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.690 -8.675 1.535 1.00 2.12 N ATOM 0 H LYS A 63 13.561 -2.909 4.033 1.00 0.64 H new ATOM 0 HA LYS A 63 12.170 -4.133 2.171 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.573 -4.499 3.024 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.917 -5.401 4.375 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.090 -7.158 2.895 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.487 -6.218 1.470 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.920 -6.270 2.144 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.499 -7.269 3.522 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.663 -9.061 2.039 1.00 1.47 H new ATOM 0 HE3 LYS A 63 14.876 -8.047 0.625 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.770 -9.523 0.939 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.253 -7.905 1.119 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.046 -8.888 2.489 1.00 2.12 H new ATOM 1020 N GLU A 64 11.190 -5.557 4.937 1.00 0.57 N ATOM 1021 CA GLU A 64 10.249 -6.436 5.556 1.00 0.58 C ATOM 1022 C GLU A 64 9.051 -5.735 6.099 1.00 0.56 C ATOM 1023 O GLU A 64 8.588 -5.931 7.222 1.00 0.70 O ATOM 1024 CB GLU A 64 10.975 -7.282 6.616 1.00 0.72 C ATOM 1025 CG GLU A 64 10.301 -8.572 7.089 1.00 0.96 C ATOM 1026 CD GLU A 64 11.089 -9.344 8.137 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.566 -8.801 9.170 1.00 1.69 O ATOM 1028 OE2 GLU A 64 11.250 -10.592 8.063 1.00 1.71 O ATOM 0 H GLU A 64 11.831 -5.158 5.623 1.00 0.57 H new ATOM 0 HA GLU A 64 9.845 -7.098 4.790 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.956 -7.543 6.220 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.141 -6.652 7.490 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.320 -8.327 7.497 1.00 0.96 H new ATOM 0 HG3 GLU A 64 10.135 -9.218 6.227 1.00 0.96 H new ATOM 1035 N SER A 65 8.485 -4.797 5.322 1.00 0.51 N ATOM 1036 CA SER A 65 7.442 -3.916 5.751 1.00 0.51 C ATOM 1037 C SER A 65 6.055 -4.386 5.481 1.00 0.43 C ATOM 1038 O SER A 65 5.803 -4.751 4.333 1.00 0.50 O ATOM 1039 CB SER A 65 7.552 -2.429 5.374 1.00 0.65 C ATOM 1040 OG SER A 65 8.759 -1.836 5.832 1.00 1.04 O ATOM 0 H SER A 65 8.765 -4.645 4.353 1.00 0.51 H new ATOM 0 HA SER A 65 7.635 -3.969 6.822 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.490 -2.327 4.291 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.704 -1.888 5.794 1.00 0.65 H new ATOM 0 HG SER A 65 9.422 -1.844 5.110 1.00 1.04 H new ATOM 1046 N THR A 66 5.109 -4.318 6.435 1.00 0.45 N ATOM 1047 CA THR A 66 3.728 -4.645 6.254 1.00 0.45 C ATOM 1048 C THR A 66 2.971 -3.363 6.181 1.00 0.43 C ATOM 1049 O THR A 66 2.692 -2.709 7.184 1.00 0.58 O ATOM 1050 CB THR A 66 3.093 -5.420 7.370 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.790 -6.656 7.395 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.608 -5.697 7.080 1.00 0.78 C ATOM 0 H THR A 66 5.320 -4.018 7.387 1.00 0.45 H new ATOM 0 HA THR A 66 3.691 -5.267 5.360 1.00 0.45 H new ATOM 0 HB THR A 66 3.145 -4.871 8.310 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.428 -7.222 8.109 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.175 -6.260 7.907 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.077 -4.752 6.967 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.519 -6.275 6.160 1.00 0.78 H new ATOM 1060 N LEU A 67 2.543 -2.992 4.961 1.00 0.38 N ATOM 1061 CA LEU A 67 1.539 -2.002 4.724 1.00 0.38 C ATOM 1062 C LEU A 67 0.191 -2.616 4.886 1.00 0.37 C ATOM 1063 O LEU A 67 -0.018 -3.827 4.931 1.00 0.50 O ATOM 1064 CB LEU A 67 1.636 -1.428 3.301 1.00 0.46 C ATOM 1065 CG LEU A 67 2.953 -0.662 3.088 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.194 -1.548 2.887 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.676 0.382 1.993 1.00 1.31 C ATOM 0 H LEU A 67 2.913 -3.400 4.103 1.00 0.38 H new ATOM 0 HA LEU A 67 1.693 -1.196 5.442 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.564 -2.238 2.576 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.793 -0.761 3.119 1.00 0.46 H new ATOM 0 HG LEU A 67 3.251 -0.149 4.002 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.072 -0.918 2.745 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.338 -2.178 3.765 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.053 -2.177 2.008 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.582 0.957 1.801 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.366 -0.124 1.078 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.883 1.053 2.323 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.775 -1.697 5.065 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.135 -2.087 5.278 1.00 0.37 C ATOM 1081 C HIS A 68 -2.973 -1.545 4.172 1.00 0.35 C ATOM 1082 O HIS A 68 -2.865 -0.391 3.761 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.648 -1.354 6.529 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.863 -1.714 7.756 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.872 -2.927 8.415 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.896 -0.984 8.373 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.943 -2.879 9.407 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.323 -1.714 9.395 1.00 1.51 N ATOM 0 H HIS A 68 -0.616 -0.689 5.062 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.188 -3.173 5.354 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.592 -0.278 6.366 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.698 -1.598 6.687 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.616 0.023 8.102 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.742 -3.679 10.104 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.428 -1.413 10.016 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.794 -2.437 3.589 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.685 -2.107 2.522 1.00 0.38 C ATOM 1098 C LEU A 69 -6.076 -1.963 3.038 1.00 0.41 C ATOM 1099 O LEU A 69 -6.775 -2.918 3.374 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.750 -3.218 1.461 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.614 -3.003 0.207 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.036 -1.870 -0.656 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.627 -4.304 -0.613 1.00 1.14 C ATOM 0 H LEU A 69 -3.839 -3.417 3.869 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.305 -1.182 2.087 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.731 -3.415 1.128 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.105 -4.123 1.954 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.625 -2.732 0.511 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.659 -1.731 -1.539 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.015 -0.946 -0.078 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.023 -2.128 -0.964 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.237 -4.165 -1.506 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.609 -4.560 -0.905 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.045 -5.110 -0.010 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.544 -0.703 3.000 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.843 -0.238 3.378 1.00 0.56 C ATOM 1117 C VAL A 70 -8.770 0.216 2.302 1.00 0.55 C ATOM 1118 O VAL A 70 -8.372 0.993 1.436 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.821 0.714 4.537 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.214 1.132 5.035 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.164 -0.041 5.705 1.00 0.97 C ATOM 0 H VAL A 70 -5.955 0.062 2.673 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.301 -1.172 3.702 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.301 1.614 4.209 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.109 1.820 5.874 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.757 1.624 4.228 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.765 0.249 5.357 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.122 0.608 6.580 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.751 -0.929 5.940 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.153 -0.338 5.424 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.020 -0.279 2.284 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.793 0.019 1.118 1.00 0.84 C ATOM 1133 C LEU A 71 -11.978 0.881 1.388 1.00 0.85 C ATOM 1134 O LEU A 71 -12.823 0.487 2.192 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.311 -1.347 0.636 1.00 1.26 C ATOM 1136 CG LEU A 71 -12.345 -1.305 -0.502 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.985 -0.547 -1.789 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.764 -2.726 -0.915 1.00 2.78 C ATOM 0 H LEU A 71 -10.468 -0.839 3.009 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.174 0.561 0.403 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.459 -1.942 0.306 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.754 -1.867 1.485 1.00 1.26 H new ATOM 0 HG LEU A 71 -13.145 -0.727 -0.040 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.815 -0.610 -2.493 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.788 0.499 -1.552 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.096 -0.991 -2.236 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.496 -2.670 -1.721 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.889 -3.278 -1.257 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -13.205 -3.238 -0.060 1.00 2.78 H new