USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot -62:sc= 2.41 USER MOD Set 1.2: A 57 SER OG : rot -40:sc= 1.23 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= 0.623 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.91 K(o=1.5,f=-3.7!) USER MOD Set 3.1: A 7 THR OG1 : rot 133:sc= 1.49 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.862 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.48 (180deg=1.76) USER MOD Single : A 2 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.0055) USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0142) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.28 (180deg=0.253!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.0279 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.49 (180deg=0.661!) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0485) USER MOD Single : A 31 GLN : amide:sc= -0.0555 K(o=-0.055,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 41 GLN : amide:sc= 0.0897 K(o=0.09,f=-3.3!) 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=-0.038) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.199 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 91:sc= 1.02 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.321 K(o=0.32,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.759 -7.246 -4.442 1.00 9.67 N ATOM 2 CA MET A 1 11.557 -7.545 -3.009 1.00 10.38 C ATOM 3 C MET A 1 10.134 -7.884 -2.627 1.00 9.62 C ATOM 4 O MET A 1 9.167 -7.432 -3.247 1.00 9.62 O ATOM 5 CB MET A 1 12.189 -6.558 -2.057 1.00 13.77 C ATOM 6 CG MET A 1 11.604 -5.112 -2.019 1.00 16.29 C ATOM 7 SD MET A 1 12.785 -3.955 -1.255 1.00 17.17 S ATOM 8 CE MET A 1 11.547 -2.720 -0.921 1.00 16.11 C ATOM 0 H1 MET A 1 12.770 -7.326 -4.674 1.00 9.67 H new ATOM 0 H2 MET A 1 11.217 -7.922 -5.017 1.00 9.67 H new ATOM 0 H3 MET A 1 11.432 -6.280 -4.644 1.00 9.67 H new ATOM 0 HA MET A 1 12.121 -8.469 -2.882 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.124 -6.973 -1.051 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.248 -6.485 -2.304 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.369 -4.783 -3.031 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.669 -5.108 -1.458 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.011 -1.862 -0.434 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.089 -2.402 -1.857 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.782 -3.139 -0.267 1.00 16.11 H new ATOM 20 N GLN A 2 9.900 -8.687 -1.531 1.00 9.27 N ATOM 21 CA GLN A 2 8.531 -8.862 -1.055 1.00 9.07 C ATOM 22 C GLN A 2 8.250 -7.781 -0.022 1.00 8.72 C ATOM 23 O GLN A 2 9.086 -7.567 0.878 1.00 8.22 O ATOM 24 CB GLN A 2 8.253 -10.226 -0.414 1.00 14.46 C ATOM 25 CG GLN A 2 8.578 -11.438 -1.349 1.00 17.01 C ATOM 26 CD GLN A 2 7.521 -11.572 -2.430 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.580 -12.322 -2.390 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.787 -10.940 -3.619 1.00 19.49 N ATOM 0 H GLN A 2 10.617 -9.187 -1.004 1.00 9.27 H new ATOM 0 HA GLN A 2 7.883 -8.794 -1.929 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.841 -10.315 0.499 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.204 -10.274 -0.123 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.558 -11.301 -1.805 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.625 -12.355 -0.762 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.576 -10.298 -3.690 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.195 -11.113 -4.432 1.00 19.49 H new ATOM 37 N ILE A 3 7.010 -7.209 -0.072 1.00 5.87 N ATOM 38 CA ILE A 3 6.435 -6.471 1.073 1.00 5.07 C ATOM 39 C ILE A 3 5.083 -7.151 1.415 1.00 4.01 C ATOM 40 O ILE A 3 4.411 -7.831 0.635 1.00 4.61 O ATOM 41 CB ILE A 3 6.241 -4.933 0.789 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.382 -4.619 -0.389 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.623 -4.193 0.807 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.860 -3.135 -0.506 1.00 10.83 C ATOM 0 H ILE A 3 6.402 -7.249 -0.890 1.00 5.87 H new ATOM 0 HA ILE A 3 7.128 -6.515 1.913 1.00 5.07 H new ATOM 0 HB ILE A 3 5.651 -4.529 1.612 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.944 -4.855 -1.293 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.518 -5.283 -0.368 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.470 -3.132 0.609 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.089 -4.316 1.785 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.272 -4.615 0.040 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.248 -3.034 -1.402 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.262 -2.890 0.371 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.709 -2.454 -0.568 1.00 10.83 H new ATOM 56 N PHE A 4 4.641 -6.960 2.640 1.00 4.55 N ATOM 57 CA PHE A 4 3.367 -7.423 3.225 1.00 4.68 C ATOM 58 C PHE A 4 2.342 -6.356 3.319 1.00 5.30 C ATOM 59 O PHE A 4 2.587 -5.213 3.661 1.00 5.58 O ATOM 60 CB PHE A 4 3.550 -8.003 4.657 1.00 4.83 C ATOM 61 CG PHE A 4 4.525 -9.178 4.574 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.249 -10.342 3.854 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.740 -9.138 5.289 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.160 -11.386 3.752 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.599 -10.244 5.308 1.00 10.61 C ATOM 66 CZ PHE A 4 6.334 -11.375 4.540 1.00 8.90 C ATOM 0 H PHE A 4 5.195 -6.438 3.319 1.00 4.55 H new ATOM 0 HA PHE A 4 3.028 -8.197 2.536 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.934 -7.237 5.331 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.592 -8.331 5.060 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.294 -10.434 3.359 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.012 -8.243 5.829 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.972 -12.204 3.072 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.482 -10.219 5.929 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.006 -12.220 4.546 1.00 8.90 H new ATOM 76 N VAL A 5 1.094 -6.705 2.898 1.00 4.44 N ATOM 77 CA VAL A 5 -0.033 -5.820 2.923 1.00 3.87 C ATOM 78 C VAL A 5 -0.963 -6.400 3.910 1.00 4.93 C ATOM 79 O VAL A 5 -1.469 -7.519 3.685 1.00 6.84 O ATOM 80 CB VAL A 5 -0.601 -5.480 1.646 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.801 -4.476 1.734 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.426 -4.791 0.785 1.00 9.13 C ATOM 0 H VAL A 5 0.873 -7.631 2.532 1.00 4.44 H new ATOM 0 HA VAL A 5 0.276 -4.820 3.228 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.943 -6.430 1.235 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.176 -4.268 0.732 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.598 -4.913 2.336 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.465 -3.547 2.196 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.017 -4.539 -0.179 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.763 -3.880 1.279 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.276 -5.455 0.631 1.00 9.13 H new ATOM 92 N LYS A 6 -1.192 -5.779 5.095 1.00 6.04 N ATOM 93 CA LYS A 6 -1.908 -6.508 6.118 1.00 6.12 C ATOM 94 C LYS A 6 -3.240 -5.828 6.374 1.00 6.57 C ATOM 95 O LYS A 6 -3.266 -4.608 6.538 1.00 5.76 O ATOM 96 CB LYS A 6 -1.073 -6.489 7.390 1.00 7.45 C ATOM 97 CG LYS A 6 -1.749 -6.986 8.624 1.00 11.12 C ATOM 98 CD LYS A 6 -2.153 -8.433 8.503 1.00 14.54 C ATOM 99 CE LYS A 6 -2.856 -8.992 9.765 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.981 -9.026 10.926 1.00 20.55 N ATOM 0 H LYS A 6 -0.903 -4.831 5.338 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.085 -7.536 5.801 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.179 -7.089 7.223 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.742 -5.466 7.568 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.081 -6.866 9.477 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.632 -6.379 8.823 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.819 -8.544 7.648 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.266 -9.032 8.297 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.729 -8.380 9.991 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.218 -9.999 9.558 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.485 -9.455 11.728 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.135 -9.590 10.707 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.696 -8.057 11.174 1.00 20.55 H new ATOM 114 N THR A 7 -4.343 -6.474 6.139 1.00 7.41 N ATOM 115 CA THR A 7 -5.717 -5.946 6.102 1.00 7.48 C ATOM 116 C THR A 7 -6.436 -6.044 7.428 1.00 8.75 C ATOM 117 O THR A 7 -6.225 -6.920 8.286 1.00 8.58 O ATOM 118 CB THR A 7 -6.516 -6.567 5.067 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.881 -7.844 5.327 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.735 -6.685 3.716 1.00 9.17 C ATOM 0 H THR A 7 -4.326 -7.476 5.948 1.00 7.41 H new ATOM 0 HA THR A 7 -5.600 -4.888 5.869 1.00 7.48 H new ATOM 0 HB THR A 7 -7.385 -5.911 5.018 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.836 -7.956 5.138 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.372 -7.157 2.968 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.448 -5.691 3.374 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.841 -7.290 3.864 1.00 9.17 H new ATOM 128 N LEU A 8 -7.420 -5.107 7.594 1.00 9.84 N ATOM 129 CA LEU A 8 -8.403 -5.088 8.699 1.00 14.15 C ATOM 130 C LEU A 8 -9.490 -6.154 8.509 1.00 17.37 C ATOM 131 O LEU A 8 -10.182 -6.517 9.439 1.00 17.01 O ATOM 132 CB LEU A 8 -9.094 -3.714 8.697 1.00 16.63 C ATOM 133 CG LEU A 8 -8.214 -2.566 9.115 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.960 -1.211 8.948 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.706 -2.817 10.530 1.00 18.59 C ATOM 0 H LEU A 8 -7.545 -4.332 6.943 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.876 -5.287 9.632 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.475 -3.516 7.695 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.956 -3.755 9.363 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.341 -2.499 8.466 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.306 -0.395 9.256 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.241 -1.077 7.903 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.857 -1.211 9.568 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.068 -1.989 10.840 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.553 -2.897 11.212 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.134 -3.744 10.552 1.00 18.59 H new ATOM 147 N THR A 9 -9.435 -6.797 7.320 1.00 18.33 N ATOM 148 CA THR A 9 -10.207 -7.974 6.942 1.00 19.24 C ATOM 149 C THR A 9 -9.422 -9.265 7.280 1.00 19.48 C ATOM 150 O THR A 9 -9.880 -10.360 6.956 1.00 23.14 O ATOM 151 CB THR A 9 -10.682 -7.962 5.483 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.600 -7.751 4.622 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.666 -6.767 5.342 1.00 19.70 C ATOM 0 H THR A 9 -8.817 -6.484 6.571 1.00 18.33 H new ATOM 0 HA THR A 9 -11.120 -7.951 7.536 1.00 19.24 H new ATOM 0 HB THR A 9 -11.151 -8.912 5.228 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.916 -7.747 3.694 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.033 -6.717 4.317 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.507 -6.906 6.022 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.150 -5.839 5.589 1.00 19.70 H new ATOM 161 N GLY A 10 -8.239 -9.124 7.987 1.00 19.43 N ATOM 162 CA GLY A 10 -7.573 -10.249 8.646 1.00 18.74 C ATOM 163 C GLY A 10 -6.561 -10.945 7.779 1.00 17.62 C ATOM 164 O GLY A 10 -6.082 -12.007 8.133 1.00 19.74 O ATOM 0 H GLY A 10 -7.753 -8.234 8.097 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.079 -9.889 9.548 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.326 -10.971 8.961 1.00 18.74 H new ATOM 168 N LYS A 11 -6.296 -10.483 6.607 1.00 13.56 N ATOM 169 CA LYS A 11 -5.494 -11.208 5.665 1.00 11.91 C ATOM 170 C LYS A 11 -4.191 -10.535 5.391 1.00 10.18 C ATOM 171 O LYS A 11 -4.018 -9.343 5.513 1.00 9.10 O ATOM 172 CB LYS A 11 -6.176 -11.249 4.327 1.00 13.43 C ATOM 173 CG LYS A 11 -7.721 -11.466 4.346 1.00 16.69 C ATOM 174 CD LYS A 11 -8.401 -11.644 2.996 1.00 17.92 C ATOM 175 CE LYS A 11 -8.238 -10.454 2.122 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.107 -10.670 0.926 1.00 21.93 N ATOM 0 H LYS A 11 -6.630 -9.582 6.265 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.346 -12.193 6.107 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.968 -10.313 3.808 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.725 -12.047 3.737 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.934 -12.346 4.953 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.179 -10.614 4.848 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.987 -12.519 2.496 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.463 -11.837 3.149 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.527 -9.545 2.650 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.196 -10.333 1.825 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.378 -9.750 0.523 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.586 -11.220 0.213 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.962 -11.190 1.208 1.00 21.93 H new ATOM 190 N THR A 12 -3.154 -11.301 4.981 1.00 9.63 N ATOM 191 CA THR A 12 -1.774 -10.760 4.765 1.00 9.85 C ATOM 192 C THR A 12 -1.500 -11.040 3.288 1.00 11.66 C ATOM 193 O THR A 12 -1.408 -12.208 2.875 1.00 12.33 O ATOM 194 CB THR A 12 -0.584 -11.280 5.585 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.931 -11.197 6.971 1.00 10.91 O ATOM 196 CG2 THR A 12 0.632 -10.352 5.277 1.00 9.63 C ATOM 0 H THR A 12 -3.238 -12.299 4.790 1.00 9.63 H new ATOM 0 HA THR A 12 -1.813 -9.725 5.103 1.00 9.85 H new ATOM 0 HB THR A 12 -0.336 -12.312 5.338 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.185 -11.526 7.515 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.500 -10.690 5.843 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.857 -10.389 4.211 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.390 -9.328 5.562 1.00 9.63 H new ATOM 204 N ILE A 13 -1.365 -10.002 2.478 1.00 10.42 N ATOM 205 CA ILE A 13 -1.135 -10.105 0.994 1.00 11.84 C ATOM 206 C ILE A 13 0.385 -9.880 0.706 1.00 10.55 C ATOM 207 O ILE A 13 0.918 -8.846 1.055 1.00 11.92 O ATOM 208 CB ILE A 13 -1.919 -9.058 0.194 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.316 -8.803 0.718 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.019 -9.454 -1.321 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.083 -7.616 0.000 1.00 16.46 C ATOM 0 H ILE A 13 -1.408 -9.038 2.810 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.475 -11.093 0.685 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.348 -8.137 0.311 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.903 -9.715 0.610 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.256 -8.587 1.785 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.581 -8.691 -1.860 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.017 -9.533 -1.743 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.529 -10.413 -1.414 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.074 -7.505 0.439 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.523 -6.690 0.130 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.180 -7.836 -1.063 1.00 16.46 H new ATOM 223 N THR A 14 1.134 -10.804 0.156 1.00 9.39 N ATOM 224 CA THR A 14 2.513 -10.627 -0.179 1.00 9.63 C ATOM 225 C THR A 14 2.706 -10.188 -1.602 1.00 11.20 C ATOM 226 O THR A 14 2.356 -10.849 -2.563 1.00 11.63 O ATOM 227 CB THR A 14 3.290 -11.883 0.021 1.00 10.38 C ATOM 228 OG1 THR A 14 3.005 -12.613 1.173 1.00 16.30 O ATOM 229 CG2 THR A 14 4.733 -11.425 0.206 1.00 11.66 C ATOM 0 H THR A 14 0.780 -11.732 -0.077 1.00 9.39 H new ATOM 0 HA THR A 14 2.877 -9.848 0.491 1.00 9.63 H new ATOM 0 HB THR A 14 3.061 -12.528 -0.827 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.379 -12.153 1.953 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.374 -12.293 0.360 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.060 -10.886 -0.683 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.798 -10.768 1.073 1.00 11.66 H new ATOM 237 N LEU A 15 3.345 -8.972 -1.806 1.00 8.29 N ATOM 238 CA LEU A 15 3.546 -8.351 -3.185 1.00 9.03 C ATOM 239 C LEU A 15 5.035 -8.214 -3.507 1.00 8.59 C ATOM 240 O LEU A 15 5.823 -7.769 -2.677 1.00 7.79 O ATOM 241 CB LEU A 15 3.006 -6.933 -3.158 1.00 11.08 C ATOM 242 CG LEU A 15 1.488 -6.835 -2.809 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.134 -5.359 -2.710 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.508 -7.621 -3.785 1.00 15.27 C ATOM 0 H LEU A 15 3.725 -8.409 -1.045 1.00 8.29 H new ATOM 0 HA LEU A 15 3.046 -8.986 -3.917 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.573 -6.354 -2.430 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.174 -6.473 -4.132 1.00 11.08 H new ATOM 0 HG LEU A 15 1.335 -7.345 -1.858 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.077 -5.254 -2.467 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.734 -4.892 -1.929 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.337 -4.871 -3.664 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.521 -7.487 -3.453 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.616 -7.233 -4.798 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.757 -8.682 -3.774 1.00 15.27 H new ATOM 256 N GLU A 16 5.314 -8.357 -4.824 1.00 11.04 N ATOM 257 CA GLU A 16 6.624 -8.141 -5.353 1.00 11.50 C ATOM 258 C GLU A 16 6.797 -6.690 -5.713 1.00 10.13 C ATOM 259 O GLU A 16 6.103 -6.241 -6.605 1.00 9.83 O ATOM 260 CB GLU A 16 6.824 -9.070 -6.600 1.00 17.22 C ATOM 261 CG GLU A 16 8.147 -8.846 -7.365 1.00 23.33 C ATOM 262 CD GLU A 16 9.354 -9.188 -6.544 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.510 -10.328 -6.100 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.203 -8.260 -6.432 1.00 28.86 O ATOM 0 H GLU A 16 4.621 -8.625 -5.523 1.00 11.04 H new ATOM 0 HA GLU A 16 7.380 -8.388 -4.608 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.780 -10.109 -6.273 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.992 -8.917 -7.287 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.145 -9.452 -8.271 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.209 -7.804 -7.678 1.00 23.33 H new ATOM 271 N VAL A 17 7.706 -5.904 -5.035 1.00 8.99 N ATOM 272 CA VAL A 17 7.936 -4.515 -5.381 1.00 8.85 C ATOM 273 C VAL A 17 9.412 -4.254 -5.522 1.00 8.04 C ATOM 274 O VAL A 17 10.267 -5.075 -5.269 1.00 8.99 O ATOM 275 CB VAL A 17 7.452 -3.469 -4.314 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.934 -3.647 -4.026 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.195 -3.621 -3.018 1.00 10.54 C ATOM 0 H VAL A 17 8.272 -6.239 -4.255 1.00 8.99 H new ATOM 0 HA VAL A 17 7.364 -4.383 -6.299 1.00 8.85 H new ATOM 0 HB VAL A 17 7.646 -2.480 -4.728 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.616 -2.914 -3.285 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.369 -3.500 -4.947 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.751 -4.652 -3.645 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.835 -2.881 -2.303 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.030 -4.622 -2.619 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.261 -3.470 -3.190 1.00 10.54 H new ATOM 287 N GLU A 18 9.751 -3.033 -5.956 1.00 7.29 N ATOM 288 CA GLU A 18 11.118 -2.573 -5.940 1.00 7.08 C ATOM 289 C GLU A 18 11.075 -1.158 -5.385 1.00 6.45 C ATOM 290 O GLU A 18 9.948 -0.625 -5.432 1.00 5.28 O ATOM 291 CB GLU A 18 11.795 -2.753 -7.306 1.00 10.28 C ATOM 292 CG GLU A 18 11.226 -1.988 -8.500 1.00 12.65 C ATOM 293 CD GLU A 18 11.975 -2.104 -9.801 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.188 -1.668 -9.912 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.414 -2.640 -10.818 1.00 18.17 O ATOM 0 H GLU A 18 9.083 -2.354 -6.321 1.00 7.29 H new ATOM 0 HA GLU A 18 11.763 -3.169 -5.294 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.842 -2.471 -7.198 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.774 -3.815 -7.550 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.204 -2.328 -8.665 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.172 -0.933 -8.232 1.00 12.65 H new ATOM 302 N PRO A 19 12.205 -0.541 -5.014 1.00 7.24 N ATOM 303 CA PRO A 19 12.283 0.811 -4.387 1.00 7.07 C ATOM 304 C PRO A 19 11.753 1.811 -5.374 1.00 6.65 C ATOM 305 O PRO A 19 11.088 2.683 -4.867 1.00 6.37 O ATOM 306 CB PRO A 19 13.774 0.900 -4.033 1.00 7.61 C ATOM 307 CG PRO A 19 14.249 -0.524 -3.701 1.00 8.16 C ATOM 308 CD PRO A 19 13.338 -1.393 -4.525 1.00 7.49 C ATOM 0 HA PRO A 19 11.687 1.003 -3.495 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.343 1.311 -4.867 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.929 1.565 -3.183 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.296 -0.672 -3.968 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.158 -0.741 -2.637 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.881 -1.825 -5.366 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.961 -2.224 -3.928 1.00 7.49 H new ATOM 316 N SER A 20 11.953 1.616 -6.659 1.00 6.80 N ATOM 317 CA SER A 20 11.536 2.596 -7.596 1.00 6.28 C ATOM 318 C SER A 20 10.054 2.571 -7.984 1.00 8.45 C ATOM 319 O SER A 20 9.537 3.415 -8.701 1.00 7.26 O ATOM 320 CB SER A 20 12.244 2.576 -8.939 1.00 8.57 C ATOM 321 OG SER A 20 13.683 2.772 -8.686 1.00 11.13 O ATOM 0 H SER A 20 12.399 0.791 -7.061 1.00 6.80 H new ATOM 0 HA SER A 20 11.790 3.480 -7.011 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.070 1.629 -9.450 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.858 3.363 -9.587 1.00 8.57 H new ATOM 0 HG SER A 20 14.169 2.762 -9.537 1.00 11.13 H new ATOM 327 N ASP A 21 9.284 1.544 -7.479 1.00 7.50 N ATOM 328 CA ASP A 21 7.876 1.418 -7.654 1.00 7.70 C ATOM 329 C ASP A 21 7.196 2.571 -6.898 1.00 7.08 C ATOM 330 O ASP A 21 7.597 3.006 -5.793 1.00 8.11 O ATOM 331 CB ASP A 21 7.222 -0.001 -7.338 1.00 11.00 C ATOM 332 CG ASP A 21 7.736 -1.060 -8.270 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.123 -0.814 -9.467 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.719 -2.265 -7.899 1.00 14.36 O ATOM 0 H ASP A 21 9.684 0.783 -6.930 1.00 7.50 H new ATOM 0 HA ASP A 21 7.697 1.486 -8.727 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.441 -0.283 -6.308 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.138 0.068 -7.426 1.00 11.00 H new ATOM 339 N THR A 22 6.110 3.049 -7.418 1.00 5.37 N ATOM 340 CA THR A 22 5.324 3.971 -6.646 1.00 6.01 C ATOM 341 C THR A 22 4.301 3.297 -5.721 1.00 8.01 C ATOM 342 O THR A 22 4.036 2.115 -5.889 1.00 8.11 O ATOM 343 CB THR A 22 4.573 4.965 -7.533 1.00 8.92 C ATOM 344 OG1 THR A 22 3.622 4.291 -8.416 1.00 10.22 O ATOM 345 CG2 THR A 22 5.585 5.743 -8.354 1.00 9.65 C ATOM 0 H THR A 22 5.751 2.828 -8.347 1.00 5.37 H new ATOM 0 HA THR A 22 6.057 4.489 -6.028 1.00 6.01 H new ATOM 0 HB THR A 22 4.001 5.640 -6.896 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.277 4.930 -9.074 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.064 6.457 -8.992 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.260 6.278 -7.687 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.158 5.053 -8.973 1.00 9.65 H new ATOM 353 N ILE A 23 3.686 4.099 -4.812 1.00 8.32 N ATOM 354 CA ILE A 23 2.583 3.704 -3.951 1.00 9.92 C ATOM 355 C ILE A 23 1.403 3.384 -4.731 1.00 10.01 C ATOM 356 O ILE A 23 0.708 2.416 -4.447 1.00 8.71 O ATOM 357 CB ILE A 23 2.355 4.651 -2.798 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.673 4.849 -1.991 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.262 4.170 -1.771 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.347 3.617 -1.445 1.00 12.30 C ATOM 0 H ILE A 23 3.968 5.069 -4.668 1.00 8.32 H new ATOM 0 HA ILE A 23 2.865 2.777 -3.451 1.00 9.92 H new ATOM 0 HB ILE A 23 2.008 5.574 -3.263 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.386 5.366 -2.633 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.458 5.514 -1.154 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.161 4.908 -0.975 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.307 4.056 -2.283 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.561 3.213 -1.343 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.250 3.905 -0.907 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.668 3.102 -0.765 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.611 2.952 -2.267 1.00 12.30 H new ATOM 372 N GLU A 24 1.137 4.218 -5.800 1.00 9.54 N ATOM 373 CA GLU A 24 0.166 4.030 -6.892 1.00 11.81 C ATOM 374 C GLU A 24 0.325 2.702 -7.729 1.00 11.14 C ATOM 375 O GLU A 24 -0.664 2.040 -7.945 1.00 10.62 O ATOM 376 CB GLU A 24 0.215 5.242 -7.863 1.00 19.24 C ATOM 377 CG GLU A 24 -0.823 5.074 -9.062 1.00 27.76 C ATOM 378 CD GLU A 24 -0.902 6.309 -9.909 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.118 6.704 -10.518 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.018 6.934 -10.003 1.00 36.51 O ATOM 0 H GLU A 24 1.645 5.096 -5.907 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.797 3.950 -6.388 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.006 6.158 -7.315 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.223 5.347 -8.265 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.528 4.227 -9.681 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.810 4.846 -8.659 1.00 27.76 H new ATOM 387 N ASN A 25 1.575 2.277 -8.086 1.00 9.43 N ATOM 388 CA ASN A 25 1.830 0.956 -8.692 1.00 10.96 C ATOM 389 C ASN A 25 1.391 -0.118 -7.761 1.00 9.68 C ATOM 390 O ASN A 25 0.785 -1.148 -8.109 1.00 9.33 O ATOM 391 CB ASN A 25 3.319 0.713 -9.028 1.00 16.78 C ATOM 392 CG ASN A 25 3.983 1.661 -9.994 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.145 2.022 -9.805 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.237 2.116 -11.040 1.00 24.70 N ATOM 0 H ASN A 25 2.415 2.841 -7.959 1.00 9.43 H new ATOM 0 HA ASN A 25 1.266 0.938 -9.625 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.882 0.737 -8.095 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.412 -0.296 -9.431 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.638 2.781 -11.702 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.277 1.792 -11.161 1.00 24.70 H new ATOM 401 N VAL A 26 1.782 0.022 -6.470 1.00 6.52 N ATOM 402 CA VAL A 26 1.434 -0.875 -5.363 1.00 5.53 C ATOM 403 C VAL A 26 -0.087 -1.000 -5.079 1.00 4.42 C ATOM 404 O VAL A 26 -0.638 -2.090 -5.024 1.00 3.40 O ATOM 405 CB VAL A 26 2.168 -0.733 -3.988 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.629 -1.764 -2.903 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.649 -0.960 -4.162 1.00 8.12 C ATOM 0 H VAL A 26 2.372 0.798 -6.170 1.00 6.52 H new ATOM 0 HA VAL A 26 1.834 -1.784 -5.812 1.00 5.53 H new ATOM 0 HB VAL A 26 1.970 0.278 -3.633 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.171 -1.624 -1.968 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.566 -1.593 -2.736 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.781 -2.782 -3.261 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.148 -0.858 -3.198 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.820 -1.962 -4.555 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.051 -0.224 -4.858 1.00 8.12 H new ATOM 417 N LYS A 27 -0.818 0.176 -4.995 1.00 2.64 N ATOM 418 CA LYS A 27 -2.262 0.207 -5.061 1.00 4.14 C ATOM 419 C LYS A 27 -2.912 -0.499 -6.253 1.00 5.58 C ATOM 420 O LYS A 27 -3.937 -1.162 -6.172 1.00 4.11 O ATOM 421 CB LYS A 27 -2.830 1.662 -4.905 1.00 3.97 C ATOM 422 CG LYS A 27 -2.486 2.302 -3.602 1.00 7.45 C ATOM 423 CD LYS A 27 -2.917 3.743 -3.583 1.00 9.02 C ATOM 424 CE LYS A 27 -3.023 4.285 -2.245 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.836 5.447 -2.277 1.00 15.47 N ATOM 0 H LYS A 27 -0.390 1.095 -4.882 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.550 -0.396 -4.200 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.447 2.281 -5.716 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.914 1.633 -5.011 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.970 1.762 -2.788 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.411 2.237 -3.433 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.204 4.337 -4.154 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.881 3.835 -4.083 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.454 3.543 -1.572 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.033 4.529 -1.859 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.664 6.015 -1.423 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.604 6.010 -3.120 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.838 5.169 -2.312 1.00 15.47 H new ATOM 439 N ALA A 28 -2.327 -0.489 -7.472 1.00 6.61 N ATOM 440 CA ALA A 28 -2.737 -1.327 -8.606 1.00 7.74 C ATOM 441 C ALA A 28 -2.528 -2.803 -8.436 1.00 9.17 C ATOM 442 O ALA A 28 -3.413 -3.585 -8.826 1.00 11.45 O ATOM 443 CB ALA A 28 -2.023 -0.932 -9.917 1.00 7.68 C ATOM 0 H ALA A 28 -1.538 0.119 -7.693 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.809 -1.136 -8.651 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.360 -1.581 -10.725 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.258 0.104 -10.162 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.946 -1.039 -9.791 1.00 7.68 H new ATOM 449 N LYS A 29 -1.457 -3.237 -7.766 1.00 8.96 N ATOM 450 CA LYS A 29 -1.319 -4.683 -7.428 1.00 7.90 C ATOM 451 C LYS A 29 -2.415 -5.084 -6.397 1.00 6.92 C ATOM 452 O LYS A 29 -2.981 -6.158 -6.515 1.00 6.87 O ATOM 453 CB LYS A 29 0.076 -5.015 -6.775 1.00 10.28 C ATOM 454 CG LYS A 29 1.322 -4.520 -7.531 1.00 14.94 C ATOM 455 CD LYS A 29 2.545 -4.668 -6.778 1.00 19.69 C ATOM 456 CE LYS A 29 3.843 -3.939 -7.361 1.00 22.63 C ATOM 457 NZ LYS A 29 4.011 -4.345 -8.742 1.00 24.98 N ATOM 0 H LYS A 29 -0.690 -2.644 -7.450 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.417 -5.235 -8.363 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.094 -4.589 -5.772 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.152 -6.097 -6.663 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.412 -5.070 -8.468 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.188 -3.470 -7.789 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.370 -4.295 -5.769 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.764 -5.732 -6.691 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.733 -2.857 -7.294 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.723 -4.207 -6.777 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.914 -3.977 -9.105 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.012 -5.383 -8.801 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.228 -3.966 -9.313 1.00 24.98 H new ATOM 471 N ILE A 30 -2.749 -4.223 -5.380 1.00 4.57 N ATOM 472 CA ILE A 30 -3.835 -4.481 -4.418 1.00 5.58 C ATOM 473 C ILE A 30 -5.184 -4.484 -5.218 1.00 7.26 C ATOM 474 O ILE A 30 -5.955 -5.448 -5.094 1.00 9.46 O ATOM 475 CB ILE A 30 -3.679 -3.434 -3.305 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.384 -3.758 -2.497 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.885 -3.563 -2.355 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.015 -2.644 -1.526 1.00 2.00 C ATOM 0 H ILE A 30 -2.265 -3.340 -5.219 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.811 -5.451 -3.921 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.623 -2.431 -3.728 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.526 -4.687 -1.944 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.558 -3.922 -3.189 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.798 -2.829 -1.554 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.806 -3.386 -2.910 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.906 -4.565 -1.927 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.107 -2.917 -0.988 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.845 -1.720 -2.079 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.828 -2.497 -0.815 1.00 2.00 H new ATOM 490 N GLN A 31 -5.443 -3.512 -6.101 1.00 7.06 N ATOM 491 CA GLN A 31 -6.591 -3.478 -7.007 1.00 8.67 C ATOM 492 C GLN A 31 -6.785 -4.799 -7.776 1.00 10.90 C ATOM 493 O GLN A 31 -7.894 -5.341 -7.920 1.00 9.63 O ATOM 494 CB GLN A 31 -6.529 -2.351 -8.107 1.00 9.12 C ATOM 495 CG GLN A 31 -7.823 -2.204 -8.969 1.00 10.76 C ATOM 496 CD GLN A 31 -7.702 -1.134 -9.936 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.691 -0.355 -9.928 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.619 -0.995 -10.870 1.00 14.76 N ATOM 0 H GLN A 31 -4.835 -2.700 -6.206 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.417 -3.282 -6.323 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.324 -1.398 -7.619 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.689 -2.556 -8.770 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.024 -3.142 -9.487 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.675 -2.011 -8.317 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.430 -1.613 -10.884 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.518 -0.269 -11.580 1.00 14.76 H new ATOM 507 N ASP A 32 -5.696 -5.272 -8.352 1.00 10.93 N ATOM 508 CA ASP A 32 -5.609 -6.623 -8.956 1.00 14.01 C ATOM 509 C ASP A 32 -6.096 -7.779 -7.970 1.00 14.04 C ATOM 510 O ASP A 32 -7.017 -8.580 -8.170 1.00 13.39 O ATOM 511 CB ASP A 32 -4.207 -6.840 -9.577 1.00 18.01 C ATOM 512 CG ASP A 32 -4.229 -7.930 -10.581 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.772 -7.718 -11.662 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.695 -9.015 -10.286 1.00 25.17 O ATOM 0 H ASP A 32 -4.830 -4.738 -8.424 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.322 -6.684 -9.778 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.867 -5.917 -10.046 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.491 -7.080 -8.791 1.00 18.01 H new ATOM 519 N LYS A 33 -5.469 -7.891 -6.830 1.00 14.22 N ATOM 520 CA LYS A 33 -5.826 -8.902 -5.779 1.00 14.00 C ATOM 521 C LYS A 33 -7.229 -8.765 -5.162 1.00 12.37 C ATOM 522 O LYS A 33 -7.999 -9.727 -5.107 1.00 12.17 O ATOM 523 CB LYS A 33 -4.911 -8.850 -4.515 1.00 18.62 C ATOM 524 CG LYS A 33 -3.407 -9.094 -4.789 1.00 24.00 C ATOM 525 CD LYS A 33 -3.057 -10.598 -4.964 1.00 27.61 C ATOM 526 CE LYS A 33 -1.647 -10.708 -5.639 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.415 -12.020 -6.058 1.00 30.06 N ATOM 0 H LYS A 33 -4.684 -7.294 -6.569 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.725 -9.815 -6.365 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -5.026 -7.875 -4.041 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.261 -9.595 -3.800 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.115 -8.552 -5.688 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.822 -8.684 -3.965 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.054 -11.101 -3.997 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.810 -11.093 -5.578 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.590 -10.031 -6.491 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.874 -10.401 -4.935 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.477 -12.081 -6.504 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.450 -12.658 -5.237 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.144 -12.299 -6.745 1.00 30.06 H new ATOM 541 N GLU A 34 -7.608 -7.501 -4.734 1.00 10.11 N ATOM 542 CA GLU A 34 -8.757 -7.315 -3.904 1.00 10.07 C ATOM 543 C GLU A 34 -9.873 -6.539 -4.617 1.00 9.32 C ATOM 544 O GLU A 34 -10.993 -6.562 -4.145 1.00 11.61 O ATOM 545 CB GLU A 34 -8.367 -6.526 -2.723 1.00 14.77 C ATOM 546 CG GLU A 34 -7.414 -7.225 -1.706 1.00 18.75 C ATOM 547 CD GLU A 34 -7.938 -8.433 -1.067 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.808 -8.276 -0.210 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.358 -9.544 -1.290 1.00 25.19 O ATOM 0 H GLU A 34 -7.112 -6.642 -4.972 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.128 -8.305 -3.640 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.887 -5.610 -3.067 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.274 -6.231 -2.195 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.489 -7.482 -2.222 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.156 -6.508 -0.927 1.00 18.75 H new ATOM 556 N GLY A 35 -9.687 -5.889 -5.814 1.00 7.22 N ATOM 557 CA GLY A 35 -10.876 -5.174 -6.450 1.00 6.29 C ATOM 558 C GLY A 35 -11.210 -3.830 -5.851 1.00 6.93 C ATOM 559 O GLY A 35 -12.332 -3.346 -6.023 1.00 7.41 O ATOM 0 H GLY A 35 -8.809 -5.838 -6.330 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.674 -5.041 -7.513 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.752 -5.818 -6.371 1.00 6.29 H new ATOM 563 N ILE A 36 -10.277 -3.206 -5.119 1.00 5.86 N ATOM 564 CA ILE A 36 -10.491 -1.915 -4.519 1.00 6.07 C ATOM 565 C ILE A 36 -9.718 -0.914 -5.399 1.00 6.36 C ATOM 566 O ILE A 36 -8.539 -1.174 -5.548 1.00 6.18 O ATOM 567 CB ILE A 36 -9.942 -1.871 -3.031 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.437 -3.080 -2.220 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.283 -0.511 -2.432 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.712 -3.223 -0.865 1.00 9.49 C ATOM 0 H ILE A 36 -9.354 -3.598 -4.935 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.554 -1.681 -4.466 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.856 -1.966 -3.010 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.509 -2.982 -2.046 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.291 -3.989 -2.804 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.913 -0.461 -1.408 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.816 0.275 -3.025 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.364 -0.373 -2.434 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.101 -4.092 -0.334 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.643 -3.350 -1.036 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.880 -2.328 -0.266 1.00 9.49 H new ATOM 582 N PRO A 37 -10.229 0.130 -6.003 1.00 8.65 N ATOM 583 CA PRO A 37 -9.416 1.157 -6.656 1.00 9.18 C ATOM 584 C PRO A 37 -8.434 1.921 -5.809 1.00 9.85 C ATOM 585 O PRO A 37 -8.704 2.022 -4.604 1.00 8.51 O ATOM 586 CB PRO A 37 -10.441 2.160 -7.214 1.00 11.42 C ATOM 587 CG PRO A 37 -11.634 1.274 -7.516 1.00 9.27 C ATOM 588 CD PRO A 37 -11.597 0.182 -6.415 1.00 8.33 C ATOM 0 HA PRO A 37 -8.780 0.645 -7.378 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.685 2.937 -6.489 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.072 2.663 -8.108 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.566 1.839 -7.484 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.561 0.836 -8.512 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.252 0.437 -5.582 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.932 -0.781 -6.801 1.00 8.33 H new ATOM 596 N PRO A 38 -7.282 2.437 -6.322 1.00 8.71 N ATOM 597 CA PRO A 38 -6.251 3.124 -5.562 1.00 9.08 C ATOM 598 C PRO A 38 -6.651 4.202 -4.575 1.00 9.28 C ATOM 599 O PRO A 38 -6.049 4.419 -3.483 1.00 6.50 O ATOM 600 CB PRO A 38 -5.253 3.626 -6.664 1.00 10.31 C ATOM 601 CG PRO A 38 -5.287 2.457 -7.713 1.00 10.81 C ATOM 602 CD PRO A 38 -6.756 2.117 -7.667 1.00 12.00 C ATOM 0 HA PRO A 38 -5.828 2.423 -4.842 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.573 4.572 -7.100 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.251 3.782 -6.263 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -4.962 2.775 -8.704 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.654 1.618 -7.424 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.297 2.681 -8.427 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.905 1.060 -7.888 1.00 12.00 H new ATOM 610 N ASP A 39 -7.642 4.956 -4.948 1.00 11.20 N ATOM 611 CA ASP A 39 -8.034 6.097 -4.133 1.00 14.96 C ATOM 612 C ASP A 39 -9.103 5.721 -3.118 1.00 13.99 C ATOM 613 O ASP A 39 -9.478 6.569 -2.331 1.00 13.75 O ATOM 614 CB ASP A 39 -8.472 7.322 -5.000 1.00 24.16 C ATOM 615 CG ASP A 39 -7.398 7.815 -5.949 1.00 31.06 C ATOM 616 OD1 ASP A 39 -6.285 8.185 -5.527 1.00 35.55 O ATOM 617 OD2 ASP A 39 -7.760 7.930 -7.187 1.00 34.22 O ATOM 0 H ASP A 39 -8.194 4.816 -5.794 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.148 6.404 -3.578 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.356 7.050 -5.577 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -8.762 8.138 -4.338 1.00 24.16 H new ATOM 622 N GLN A 40 -9.547 4.439 -3.075 1.00 11.60 N ATOM 623 CA GLN A 40 -10.305 3.886 -1.977 1.00 10.76 C ATOM 624 C GLN A 40 -9.359 3.225 -1.028 1.00 8.01 C ATOM 625 O GLN A 40 -9.809 2.573 -0.090 1.00 8.96 O ATOM 626 CB GLN A 40 -11.390 2.900 -2.500 1.00 11.14 C ATOM 627 CG GLN A 40 -12.329 3.548 -3.541 1.00 14.85 C ATOM 628 CD GLN A 40 -13.464 2.537 -3.745 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.320 1.330 -3.401 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.540 2.984 -4.379 1.00 18.16 N ATOM 0 H GLN A 40 -9.374 3.769 -3.824 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.833 4.680 -1.449 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.903 2.033 -2.946 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.981 2.537 -1.659 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.713 4.504 -3.184 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -11.804 3.745 -4.476 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.608 3.969 -4.635 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.299 2.343 -4.610 1.00 18.16 H new ATOM 639 N GLN A 41 -7.974 3.354 -1.110 1.00 6.52 N ATOM 640 CA GLN A 41 -7.056 2.633 -0.191 1.00 3.87 C ATOM 641 C GLN A 41 -6.185 3.648 0.599 1.00 4.79 C ATOM 642 O GLN A 41 -5.646 4.577 -0.040 1.00 6.34 O ATOM 643 CB GLN A 41 -6.131 1.720 -1.010 1.00 4.20 C ATOM 644 CG GLN A 41 -6.785 0.765 -1.996 1.00 3.20 C ATOM 645 CD GLN A 41 -5.743 0.013 -2.749 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.531 0.010 -2.489 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.180 -0.516 -3.932 1.00 7.13 N ATOM 0 H GLN A 41 -7.501 3.943 -1.795 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.648 2.042 0.508 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.437 2.353 -1.564 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.537 1.129 -0.313 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.434 0.069 -1.464 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.415 1.322 -2.690 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.176 -0.517 -4.153 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.510 -0.909 -4.593 1.00 7.13 H new ATOM 656 N ARG A 42 -6.043 3.406 1.924 1.00 5.73 N ATOM 657 CA ARG A 42 -5.171 4.179 2.805 1.00 6.97 C ATOM 658 C ARG A 42 -4.068 3.283 3.217 1.00 7.15 C ATOM 659 O ARG A 42 -4.257 2.359 3.994 1.00 7.33 O ATOM 660 CB ARG A 42 -5.878 4.738 3.978 1.00 13.23 C ATOM 661 CG ARG A 42 -6.856 5.813 3.519 1.00 21.27 C ATOM 662 CD ARG A 42 -7.733 6.310 4.706 1.00 26.14 C ATOM 663 NE ARG A 42 -8.323 7.644 4.438 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.295 8.149 5.202 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.081 7.437 5.925 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.443 9.461 5.268 1.00 36.39 N ATOM 0 H ARG A 42 -6.542 2.657 2.405 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.793 5.048 2.267 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.412 3.947 4.505 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.160 5.161 4.681 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.306 6.652 3.092 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.495 5.416 2.731 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.531 5.591 4.894 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.127 6.356 5.611 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.977 8.190 3.649 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.982 6.422 5.938 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.804 7.886 6.487 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.820 10.072 4.740 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.181 9.863 5.847 1.00 36.39 H new ATOM 680 N LEU A 43 -2.918 3.414 2.592 1.00 4.65 N ATOM 681 CA LEU A 43 -1.729 2.615 2.960 1.00 3.51 C ATOM 682 C LEU A 43 -1.011 3.330 4.010 1.00 5.56 C ATOM 683 O LEU A 43 -0.480 4.431 3.843 1.00 4.19 O ATOM 684 CB LEU A 43 -0.867 2.329 1.791 1.00 3.74 C ATOM 685 CG LEU A 43 -1.597 1.349 0.827 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.793 1.174 -0.449 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.863 -0.034 1.502 1.00 6.41 C ATOM 0 H LEU A 43 -2.763 4.064 1.821 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.044 1.640 3.332 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.626 3.255 1.269 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.077 1.894 2.121 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.566 1.783 0.580 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.313 0.486 -1.116 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.678 2.139 -0.942 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.190 0.770 -0.207 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.374 -0.690 0.798 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.915 -0.484 1.795 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.486 0.106 2.385 1.00 6.41 H new ATOM 699 N ILE A 44 -0.907 2.554 5.153 1.00 4.58 N ATOM 700 CA ILE A 44 -0.303 2.996 6.424 1.00 5.55 C ATOM 701 C ILE A 44 0.965 2.180 6.643 1.00 5.46 C ATOM 702 O ILE A 44 1.069 0.976 6.883 1.00 6.04 O ATOM 703 CB ILE A 44 -1.187 2.860 7.653 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.663 3.309 7.297 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.552 3.672 8.840 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.939 4.768 6.965 1.00 13.90 C ATOM 0 H ILE A 44 -1.252 1.595 5.192 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.119 4.065 6.319 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.249 1.821 7.978 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.990 2.712 6.446 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.300 3.039 8.140 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.183 3.577 9.724 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.441 3.280 9.059 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.473 4.723 8.561 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.999 4.897 6.747 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.665 5.393 7.815 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.351 5.061 6.095 1.00 13.90 H new ATOM 718 N PHE A 45 2.141 2.865 6.609 1.00 6.75 N ATOM 719 CA PHE A 45 3.392 2.310 7.012 1.00 4.70 C ATOM 720 C PHE A 45 3.926 3.112 8.180 1.00 6.34 C ATOM 721 O PHE A 45 3.841 4.301 8.205 1.00 5.45 O ATOM 722 CB PHE A 45 4.323 2.672 5.806 1.00 5.51 C ATOM 723 CG PHE A 45 5.734 2.177 5.921 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.069 0.839 6.095 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.711 3.125 5.977 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.440 0.542 6.333 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.092 2.844 6.019 1.00 6.64 C ATOM 728 CZ PHE A 45 8.430 1.514 6.278 1.00 6.84 C ATOM 0 H PHE A 45 2.210 3.831 6.290 1.00 6.75 H new ATOM 0 HA PHE A 45 3.327 1.253 7.270 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.885 2.266 4.894 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.343 3.756 5.695 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.322 0.060 6.051 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.407 4.161 5.990 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.720 -0.475 6.565 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.840 3.607 5.861 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.463 1.241 6.436 1.00 6.84 H new ATOM 738 N ALA A 46 4.466 2.521 9.255 1.00 6.53 N ATOM 739 CA ALA A 46 5.251 3.186 10.266 1.00 7.15 C ATOM 740 C ALA A 46 4.597 4.259 11.071 1.00 9.00 C ATOM 741 O ALA A 46 5.224 5.163 11.612 1.00 11.15 O ATOM 742 CB ALA A 46 6.541 3.784 9.703 1.00 8.99 C ATOM 0 H ALA A 46 4.354 1.524 9.438 1.00 6.53 H new ATOM 0 HA ALA A 46 5.429 2.353 10.946 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.095 4.273 10.504 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.151 2.991 9.271 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.297 4.515 8.932 1.00 8.99 H new ATOM 748 N GLY A 47 3.217 4.259 11.076 1.00 9.35 N ATOM 749 CA GLY A 47 2.391 5.284 11.765 1.00 11.68 C ATOM 750 C GLY A 47 1.966 6.406 10.933 1.00 11.14 C ATOM 751 O GLY A 47 1.343 7.369 11.422 1.00 13.93 O ATOM 0 H GLY A 47 2.663 3.546 10.601 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.504 4.798 12.172 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.957 5.674 12.611 1.00 11.68 H new ATOM 755 N LYS A 48 2.252 6.306 9.645 1.00 10.47 N ATOM 756 CA LYS A 48 1.871 7.310 8.676 1.00 8.82 C ATOM 757 C LYS A 48 1.241 6.806 7.393 1.00 7.68 C ATOM 758 O LYS A 48 1.469 5.731 6.852 1.00 6.47 O ATOM 759 CB LYS A 48 3.129 8.150 8.347 1.00 9.74 C ATOM 760 CG LYS A 48 4.276 7.358 7.759 1.00 14.14 C ATOM 761 CD LYS A 48 5.551 8.221 7.710 1.00 16.32 C ATOM 762 CE LYS A 48 5.553 9.253 6.526 1.00 20.04 C ATOM 763 NZ LYS A 48 6.809 10.089 6.574 1.00 23.92 N ATOM 0 H LYS A 48 2.759 5.518 9.243 1.00 10.47 H new ATOM 0 HA LYS A 48 1.077 7.892 9.144 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.851 8.938 7.647 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.472 8.640 9.258 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.456 6.465 8.358 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.018 7.021 6.755 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.655 8.759 8.652 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.420 7.569 7.617 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.492 8.727 5.573 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.675 9.896 6.591 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.803 10.770 5.788 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.849 10.604 7.477 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.641 9.471 6.491 1.00 23.92 H new ATOM 777 N GLN A 49 0.280 7.596 6.824 1.00 8.89 N ATOM 778 CA GLN A 49 -0.315 7.397 5.534 1.00 7.18 C ATOM 779 C GLN A 49 0.576 7.747 4.423 1.00 8.23 C ATOM 780 O GLN A 49 1.047 8.850 4.430 1.00 9.70 O ATOM 781 CB GLN A 49 -1.647 8.000 5.438 1.00 11.67 C ATOM 782 CG GLN A 49 -2.555 7.484 4.337 1.00 15.82 C ATOM 783 CD GLN A 49 -3.895 8.282 4.340 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.527 8.594 5.407 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.266 8.745 3.117 1.00 20.67 N ATOM 0 H GLN A 49 -0.093 8.416 7.302 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.469 6.323 5.430 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.154 7.856 6.392 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.524 9.074 5.301 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.063 7.585 3.370 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.753 6.422 4.484 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.738 8.475 2.288 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.073 9.363 3.029 1.00 20.67 H new ATOM 794 N LEU A 50 0.834 6.772 3.524 1.00 6.51 N ATOM 795 CA LEU A 50 1.610 6.947 2.332 1.00 7.41 C ATOM 796 C LEU A 50 0.789 7.529 1.198 1.00 8.27 C ATOM 797 O LEU A 50 -0.435 7.553 1.245 1.00 8.34 O ATOM 798 CB LEU A 50 2.133 5.553 1.867 1.00 7.13 C ATOM 799 CG LEU A 50 2.950 4.642 2.822 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.410 3.367 2.055 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.079 5.386 3.539 1.00 9.11 C ATOM 0 H LEU A 50 0.485 5.820 3.635 1.00 6.51 H new ATOM 0 HA LEU A 50 2.423 7.634 2.565 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.265 4.979 1.544 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.749 5.722 0.984 1.00 7.13 H new ATOM 0 HG LEU A 50 2.304 4.318 3.637 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.984 2.727 2.725 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.536 2.824 1.694 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.032 3.656 1.208 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.613 4.695 4.192 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.770 5.796 2.802 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.660 6.197 4.134 1.00 9.11 H new ATOM 813 N GLU A 51 1.515 8.088 0.226 1.00 9.43 N ATOM 814 CA GLU A 51 0.937 8.885 -0.848 1.00 11.90 C ATOM 815 C GLU A 51 1.332 8.310 -2.204 1.00 11.49 C ATOM 816 O GLU A 51 2.458 7.856 -2.441 1.00 9.88 O ATOM 817 CB GLU A 51 1.276 10.346 -0.790 1.00 16.56 C ATOM 818 CG GLU A 51 0.649 11.160 -1.960 1.00 26.06 C ATOM 819 CD GLU A 51 0.944 12.610 -1.816 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.119 13.002 -1.994 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.025 13.398 -1.630 1.00 33.44 O ATOM 0 H GLU A 51 2.529 7.996 0.166 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.142 8.825 -0.709 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.930 10.757 0.158 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.359 10.464 -0.812 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.040 10.798 -2.911 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.430 11.005 -1.979 1.00 26.06 H new ATOM 828 N ASP A 52 0.331 8.217 -3.154 1.00 12.71 N ATOM 829 CA ASP A 52 0.209 7.518 -4.369 1.00 16.56 C ATOM 830 C ASP A 52 1.386 7.792 -5.332 1.00 15.83 C ATOM 831 O ASP A 52 1.993 6.872 -5.859 1.00 17.21 O ATOM 832 CB ASP A 52 -1.135 7.965 -5.013 1.00 21.05 C ATOM 833 CG ASP A 52 -2.296 7.562 -4.181 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.571 8.277 -3.197 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.056 6.622 -4.570 1.00 28.37 O ATOM 0 H ASP A 52 -0.526 8.746 -2.994 1.00 12.71 H new ATOM 0 HA ASP A 52 0.226 6.445 -4.175 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.136 9.047 -5.142 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.228 7.526 -6.006 1.00 21.05 H new ATOM 840 N GLY A 53 1.622 9.099 -5.503 1.00 15.00 N ATOM 841 CA GLY A 53 2.689 9.651 -6.364 1.00 11.77 C ATOM 842 C GLY A 53 4.098 9.586 -5.885 1.00 11.10 C ATOM 843 O GLY A 53 5.005 10.025 -6.559 1.00 11.25 O ATOM 0 H GLY A 53 1.069 9.820 -5.040 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.641 9.134 -7.322 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.452 10.698 -6.554 1.00 11.77 H new ATOM 847 N ARG A 54 4.328 9.001 -4.782 1.00 8.53 N ATOM 848 CA ARG A 54 5.586 8.894 -4.138 1.00 9.05 C ATOM 849 C ARG A 54 6.172 7.552 -4.243 1.00 8.96 C ATOM 850 O ARG A 54 5.477 6.543 -4.455 1.00 11.60 O ATOM 851 CB ARG A 54 5.543 9.197 -2.591 1.00 7.97 C ATOM 852 CG ARG A 54 4.806 10.507 -2.222 1.00 9.62 C ATOM 853 CD ARG A 54 5.572 11.699 -2.776 1.00 12.20 C ATOM 854 NE ARG A 54 4.732 12.860 -2.429 1.00 18.23 N ATOM 855 CZ ARG A 54 4.999 14.106 -2.769 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.153 14.438 -3.258 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.011 14.997 -2.688 1.00 23.38 N ATOM 0 H ARG A 54 3.584 8.543 -4.255 1.00 8.53 H new ATOM 0 HA ARG A 54 6.182 9.641 -4.664 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.057 8.364 -2.082 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.564 9.249 -2.214 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.794 10.493 -2.627 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.715 10.592 -1.139 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.564 11.777 -2.331 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.712 11.617 -3.854 1.00 12.20 H new ATOM 0 HE ARG A 54 3.885 12.687 -1.888 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.875 13.729 -3.386 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.338 15.408 -3.514 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.086 14.706 -2.371 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.180 15.970 -2.943 1.00 23.38 H new ATOM 871 N THR A 55 7.483 7.308 -4.120 1.00 9.05 N ATOM 872 CA THR A 55 8.013 6.004 -4.274 1.00 9.03 C ATOM 873 C THR A 55 8.348 5.434 -2.920 1.00 8.15 C ATOM 874 O THR A 55 8.524 6.089 -1.880 1.00 5.91 O ATOM 875 CB THR A 55 9.403 5.954 -5.000 1.00 11.15 C ATOM 876 OG1 THR A 55 10.500 6.554 -4.267 1.00 11.95 O ATOM 877 CG2 THR A 55 9.237 6.695 -6.344 1.00 11.71 C ATOM 0 H THR A 55 8.179 8.024 -3.912 1.00 9.05 H new ATOM 0 HA THR A 55 7.249 5.472 -4.841 1.00 9.03 H new ATOM 0 HB THR A 55 9.671 4.903 -5.111 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.320 7.508 -4.131 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.183 6.685 -6.884 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.473 6.198 -6.941 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.938 7.726 -6.156 1.00 11.71 H new ATOM 885 N LEU A 56 8.515 4.096 -2.866 1.00 6.91 N ATOM 886 CA LEU A 56 8.915 3.338 -1.719 1.00 8.29 C ATOM 887 C LEU A 56 10.227 3.825 -1.115 1.00 8.05 C ATOM 888 O LEU A 56 10.414 3.893 0.075 1.00 10.17 O ATOM 889 CB LEU A 56 9.048 1.823 -2.041 1.00 6.60 C ATOM 890 CG LEU A 56 7.741 1.100 -2.094 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.004 1.327 -3.443 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.945 -0.422 -1.956 1.00 8.64 C ATOM 0 H LEU A 56 8.359 3.505 -3.683 1.00 6.91 H new ATOM 0 HA LEU A 56 8.119 3.488 -0.989 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.555 1.708 -2.999 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.681 1.355 -1.287 1.00 6.60 H new ATOM 0 HG LEU A 56 7.150 1.497 -1.269 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.059 0.783 -3.437 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.809 2.391 -3.577 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.626 0.966 -4.262 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.978 -0.924 -1.998 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.575 -0.780 -2.770 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.426 -0.640 -1.002 1.00 8.64 H new ATOM 904 N SER A 57 11.207 4.231 -1.993 1.00 8.92 N ATOM 905 CA SER A 57 12.451 4.824 -1.669 1.00 9.00 C ATOM 906 C SER A 57 12.347 6.191 -0.931 1.00 9.44 C ATOM 907 O SER A 57 13.042 6.487 -0.011 1.00 10.91 O ATOM 908 CB SER A 57 13.420 5.059 -2.870 1.00 10.32 C ATOM 909 OG SER A 57 13.140 6.190 -3.733 1.00 13.59 O ATOM 0 H SER A 57 11.090 4.123 -3.000 1.00 8.92 H new ATOM 0 HA SER A 57 12.859 4.058 -1.010 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.428 5.178 -2.473 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.423 4.158 -3.483 1.00 10.32 H new ATOM 0 HG SER A 57 12.174 6.257 -3.881 1.00 13.59 H new ATOM 915 N ASP A 58 11.340 6.980 -1.325 1.00 9.11 N ATOM 916 CA ASP A 58 11.018 8.215 -0.582 1.00 7.91 C ATOM 917 C ASP A 58 10.654 8.078 0.844 1.00 9.12 C ATOM 918 O ASP A 58 10.901 8.990 1.639 1.00 8.61 O ATOM 919 CB ASP A 58 9.931 8.962 -1.324 1.00 8.41 C ATOM 920 CG ASP A 58 10.360 9.476 -2.669 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.287 10.380 -2.629 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.869 9.033 -3.746 1.00 11.70 O ATOM 0 H ASP A 58 10.745 6.797 -2.133 1.00 9.11 H new ATOM 0 HA ASP A 58 11.959 8.764 -0.546 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.073 8.302 -1.454 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.598 9.801 -0.714 1.00 8.41 H new ATOM 927 N TYR A 59 10.171 6.900 1.195 1.00 7.97 N ATOM 928 CA TYR A 59 9.786 6.516 2.550 1.00 8.45 C ATOM 929 C TYR A 59 10.826 5.605 3.203 1.00 10.98 C ATOM 930 O TYR A 59 10.781 5.284 4.378 1.00 12.95 O ATOM 931 CB TYR A 59 8.434 5.803 2.570 1.00 7.94 C ATOM 932 CG TYR A 59 7.255 6.666 2.111 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.903 7.761 2.905 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.558 6.387 0.916 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.826 8.581 2.546 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.453 7.162 0.591 1.00 6.52 C ATOM 937 CZ TYR A 59 5.160 8.309 1.313 1.00 6.76 C ATOM 938 OH TYR A 59 4.122 9.189 0.982 1.00 7.63 O ATOM 0 H TYR A 59 10.029 6.150 0.519 1.00 7.97 H new ATOM 0 HA TYR A 59 9.717 7.444 3.117 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.493 4.921 1.932 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.238 5.451 3.583 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.465 7.976 3.802 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.878 5.586 0.267 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.509 9.394 3.182 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.816 6.869 -0.231 1.00 6.52 H new ATOM 0 HH TYR A 59 4.437 10.113 1.066 1.00 7.63 H new ATOM 948 N ASN A 60 11.871 5.210 2.411 1.00 12.38 N ATOM 949 CA ASN A 60 12.843 4.152 2.819 1.00 13.94 C ATOM 950 C ASN A 60 12.224 2.826 3.284 1.00 14.16 C ATOM 951 O ASN A 60 12.673 2.109 4.184 1.00 14.26 O ATOM 952 CB ASN A 60 13.835 4.633 3.958 1.00 19.23 C ATOM 953 CG ASN A 60 14.142 6.121 3.809 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.489 7.012 4.338 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.119 6.445 2.984 1.00 24.09 N ATOM 0 H ASN A 60 12.058 5.609 1.491 1.00 12.38 H new ATOM 0 HA ASN A 60 13.377 3.967 1.887 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.394 4.443 4.936 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.760 4.058 3.909 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.322 7.426 2.794 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.672 5.714 2.536 1.00 24.09 H new ATOM 962 N ILE A 61 11.264 2.349 2.526 1.00 11.08 N ATOM 963 CA ILE A 61 10.611 1.024 2.625 1.00 11.78 C ATOM 964 C ILE A 61 11.633 -0.022 2.120 1.00 13.74 C ATOM 965 O ILE A 61 12.408 0.173 1.140 1.00 14.60 O ATOM 966 CB ILE A 61 9.184 0.918 1.909 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.208 1.806 2.676 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.596 -0.517 1.939 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.086 2.305 1.758 1.00 11.42 C ATOM 0 H ILE A 61 10.876 2.902 1.762 1.00 11.08 H new ATOM 0 HA ILE A 61 10.351 0.835 3.667 1.00 11.78 H new ATOM 0 HB ILE A 61 9.320 1.215 0.869 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.781 1.248 3.509 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.741 2.656 3.101 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.628 -0.524 1.438 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.275 -1.199 1.427 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.472 -0.838 2.973 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.403 2.936 2.328 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.515 2.882 0.939 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.540 1.452 1.354 1.00 11.42 H new ATOM 981 N GLN A 62 11.642 -1.151 2.774 1.00 13.97 N ATOM 982 CA GLN A 62 12.588 -2.233 2.638 1.00 15.52 C ATOM 983 C GLN A 62 11.835 -3.524 2.591 1.00 13.94 C ATOM 984 O GLN A 62 10.661 -3.649 2.976 1.00 12.15 O ATOM 985 CB GLN A 62 13.657 -2.215 3.778 1.00 19.53 C ATOM 986 CG GLN A 62 14.624 -1.074 3.756 1.00 26.38 C ATOM 987 CD GLN A 62 15.235 -0.949 5.178 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.004 -1.813 5.631 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.948 0.136 5.887 1.00 32.71 N ATOM 0 H GLN A 62 10.930 -1.358 3.475 1.00 13.97 H new ATOM 0 HA GLN A 62 13.145 -2.113 1.709 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.137 -2.205 4.736 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.223 -3.145 3.732 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.406 -1.249 3.017 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.120 -0.150 3.473 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.316 0.841 5.508 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.360 0.265 6.811 1.00 32.71 H new ATOM 998 N LYS A 63 12.482 -4.617 2.134 1.00 11.73 N ATOM 999 CA LYS A 63 12.062 -5.982 2.179 1.00 11.97 C ATOM 1000 C LYS A 63 11.467 -6.378 3.453 1.00 10.41 C ATOM 1001 O LYS A 63 11.943 -6.051 4.515 1.00 9.59 O ATOM 1002 CB LYS A 63 13.020 -7.007 1.666 1.00 13.73 C ATOM 1003 CG LYS A 63 14.213 -7.218 2.669 1.00 16.98 C ATOM 1004 CD LYS A 63 15.453 -7.940 2.122 1.00 20.19 C ATOM 1005 CE LYS A 63 16.345 -8.366 3.281 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.017 -7.226 3.934 1.00 25.97 N ATOM 0 H LYS A 63 13.395 -4.528 1.687 1.00 11.73 H new ATOM 0 HA LYS A 63 11.269 -5.979 1.432 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.499 -7.952 1.512 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.407 -6.695 0.696 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.524 -6.241 3.039 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.842 -7.780 3.526 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.153 -8.812 1.541 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.003 -7.282 1.449 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.745 -8.899 4.018 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.097 -9.065 2.916 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.610 -7.573 4.714 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.613 -6.730 3.240 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.302 -6.570 4.308 1.00 25.97 H new ATOM 1020 N GLU A 64 10.350 -7.179 3.398 1.00 10.04 N ATOM 1021 CA GLU A 64 9.695 -7.827 4.486 1.00 10.94 C ATOM 1022 C GLU A 64 9.037 -6.789 5.420 1.00 9.74 C ATOM 1023 O GLU A 64 8.721 -6.980 6.597 1.00 9.42 O ATOM 1024 CB GLU A 64 10.531 -8.884 5.190 1.00 18.31 C ATOM 1025 CG GLU A 64 10.824 -10.076 4.221 1.00 24.16 C ATOM 1026 CD GLU A 64 11.059 -11.342 4.996 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.926 -11.326 6.221 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.426 -12.389 4.364 1.00 31.72 O ATOM 0 H GLU A 64 9.887 -7.373 2.510 1.00 10.04 H new ATOM 0 HA GLU A 64 8.888 -8.425 4.064 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.468 -8.447 5.534 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.005 -9.245 6.073 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.985 -10.211 3.538 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.698 -9.849 3.611 1.00 24.16 H new ATOM 1035 N SER A 65 8.730 -5.601 4.828 1.00 6.85 N ATOM 1036 CA SER A 65 8.000 -4.574 5.532 1.00 6.90 C ATOM 1037 C SER A 65 6.526 -4.851 5.445 1.00 4.72 C ATOM 1038 O SER A 65 5.960 -5.494 4.570 1.00 3.91 O ATOM 1039 CB SER A 65 8.270 -3.145 5.016 1.00 7.28 C ATOM 1040 OG SER A 65 9.579 -2.723 5.342 1.00 10.56 O ATOM 0 H SER A 65 8.986 -5.357 3.871 1.00 6.85 H new ATOM 0 HA SER A 65 8.352 -4.609 6.563 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.134 -3.114 3.935 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.545 -2.456 5.449 1.00 7.28 H new ATOM 0 HG SER A 65 10.189 -2.955 4.611 1.00 10.56 H new ATOM 1046 N THR A 66 5.873 -4.386 6.499 1.00 4.48 N ATOM 1047 CA THR A 66 4.377 -4.505 6.591 1.00 3.80 C ATOM 1048 C THR A 66 3.780 -3.167 6.489 1.00 4.60 C ATOM 1049 O THR A 66 4.085 -2.190 7.201 1.00 5.33 O ATOM 1050 CB THR A 66 3.879 -5.220 7.891 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.388 -6.539 7.928 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.333 -5.328 7.997 1.00 3.40 C ATOM 0 H THR A 66 6.316 -3.930 7.297 1.00 4.48 H new ATOM 0 HA THR A 66 4.057 -5.136 5.762 1.00 3.80 H new ATOM 0 HB THR A 66 4.236 -4.607 8.719 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.078 -6.987 8.743 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.066 -5.835 8.924 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.897 -4.329 7.992 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.949 -5.896 7.150 1.00 3.40 H new ATOM 1060 N LEU A 67 2.827 -3.077 5.532 1.00 4.17 N ATOM 1061 CA LEU A 67 2.011 -1.914 5.154 1.00 3.85 C ATOM 1062 C LEU A 67 0.633 -2.358 5.569 1.00 3.80 C ATOM 1063 O LEU A 67 0.299 -3.488 5.469 1.00 5.54 O ATOM 1064 CB LEU A 67 1.940 -1.608 3.605 1.00 7.18 C ATOM 1065 CG LEU A 67 2.787 -0.497 3.082 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.296 -0.608 3.389 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.559 -0.252 1.557 1.00 11.66 C ATOM 0 H LEU A 67 2.595 -3.889 4.960 1.00 4.17 H new ATOM 0 HA LEU A 67 2.421 -1.011 5.607 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.211 -2.518 3.070 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.903 -1.387 3.353 1.00 7.18 H new ATOM 0 HG LEU A 67 2.440 0.370 3.644 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.818 0.250 2.964 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.447 -0.627 4.468 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.690 -1.525 2.952 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.197 0.566 1.221 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.806 -1.157 1.002 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.515 0.007 1.382 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.185 -1.457 6.072 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.493 -1.899 6.587 1.00 4.17 C ATOM 1081 C HIS A 68 -2.489 -1.205 5.708 1.00 5.32 C ATOM 1082 O HIS A 68 -2.219 -0.064 5.338 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.728 -1.380 8.047 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.552 -1.772 8.980 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.628 -1.160 9.015 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.434 -2.846 9.766 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.411 -1.843 9.781 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.814 -2.937 10.318 1.00 16.30 N ATOM 0 H HIS A 68 0.005 -0.457 6.141 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.566 -2.987 6.591 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.841 -0.296 8.036 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.658 -1.793 8.437 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.872 -0.301 8.522 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.228 -3.556 9.944 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.438 -1.571 9.975 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.649 -1.810 5.362 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.545 -1.319 4.367 1.00 3.97 C ATOM 1098 C LEU A 69 -5.798 -0.946 4.959 1.00 5.07 C ATOM 1099 O LEU A 69 -6.558 -1.829 5.340 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.852 -2.355 3.250 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.919 -2.031 2.165 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.757 -0.644 1.485 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.862 -3.037 1.059 1.00 9.96 C ATOM 0 H LEU A 69 -3.968 -2.675 5.797 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.040 -0.462 3.920 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.915 -2.562 2.733 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.157 -3.280 3.740 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.862 -2.045 2.711 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.545 -0.508 0.744 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.827 0.141 2.238 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.785 -0.590 0.995 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.615 -2.796 0.309 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.873 -3.018 0.600 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.056 -4.031 1.461 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.133 0.347 5.007 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.417 0.786 5.453 1.00 6.26 C ATOM 1117 C VAL A 70 -8.254 1.159 4.265 1.00 9.22 C ATOM 1118 O VAL A 70 -7.856 1.903 3.389 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.266 1.935 6.441 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.621 2.293 7.041 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.293 1.688 7.621 1.00 8.54 C ATOM 0 H VAL A 70 -5.506 1.103 4.733 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.927 -0.020 5.980 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.840 2.739 5.841 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.501 3.116 7.746 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.303 2.593 6.246 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.029 1.426 7.561 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.264 2.571 8.260 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.635 0.831 8.202 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.294 1.488 7.233 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.431 0.573 4.167 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.443 0.958 3.162 1.00 16.06 C ATOM 1133 C LEU A 71 -11.093 2.224 3.485 1.00 18.09 C ATOM 1134 O LEU A 71 -11.465 2.489 4.599 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.567 -0.168 3.034 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.570 0.149 1.907 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.020 0.127 0.477 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.653 -0.983 2.040 1.00 19.57 C ATOM 0 H LEU A 71 -9.728 -0.188 4.777 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.909 1.071 2.218 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.096 -1.132 2.841 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.100 -0.258 3.980 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.920 1.173 2.035 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.820 0.365 -0.224 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.223 0.864 0.382 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.625 -0.864 0.254 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.418 -0.846 1.276 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.180 -1.956 1.909 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.113 -0.933 3.027 1.00 19.57 H new