USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 176:sc= 1.02 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.16 K(o=2.2,f=0.45) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 144:sc= 1.17 (180deg=0.345) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.264) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.24 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.05) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.681 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 1.05 (180deg=-0.302!) USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.176 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.31 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -0.0911 K(o=-0.091,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0298 (180deg=-0.262) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 55 THR OG1 : rot -48:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.852 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= 1.19 (180deg=-0.511) USER MOD Single : A 65 SER OG : rot 86:sc= 0.498 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.211 -7.230 -4.454 1.00 9.67 N ATOM 2 CA MET A 1 12.098 -7.542 -3.029 1.00 10.38 C ATOM 3 C MET A 1 10.625 -7.796 -2.631 1.00 9.62 C ATOM 4 O MET A 1 9.678 -7.338 -3.288 1.00 9.62 O ATOM 5 CB MET A 1 12.665 -6.484 -2.098 1.00 13.77 C ATOM 6 CG MET A 1 11.800 -5.237 -1.888 1.00 16.29 C ATOM 7 SD MET A 1 12.461 -3.887 -0.845 1.00 17.17 S ATOM 8 CE MET A 1 11.045 -2.802 -0.986 1.00 16.11 C ATOM 0 H1 MET A 1 13.213 -7.114 -4.706 1.00 9.67 H new ATOM 0 H2 MET A 1 11.801 -8.006 -5.013 1.00 9.67 H new ATOM 0 H3 MET A 1 11.699 -6.348 -4.658 1.00 9.67 H new ATOM 0 HA MET A 1 12.703 -8.440 -2.904 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.846 -6.944 -1.126 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.633 -6.168 -2.487 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.576 -4.819 -2.869 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.853 -5.559 -1.454 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.323 -1.797 -0.668 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.710 -2.774 -2.023 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.238 -3.173 -0.354 1.00 16.11 H new ATOM 20 N GLN A 2 10.291 -8.600 -1.573 1.00 9.27 N ATOM 21 CA GLN A 2 8.956 -8.929 -1.101 1.00 9.07 C ATOM 22 C GLN A 2 8.560 -7.930 -0.048 1.00 8.72 C ATOM 23 O GLN A 2 9.324 -7.315 0.657 1.00 8.22 O ATOM 24 CB GLN A 2 8.806 -10.325 -0.491 1.00 14.46 C ATOM 25 CG GLN A 2 9.156 -11.485 -1.494 1.00 17.01 C ATOM 26 CD GLN A 2 8.994 -12.747 -0.606 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.883 -12.969 0.260 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.860 -13.418 -0.716 1.00 19.49 N ATOM 0 H GLN A 2 11.011 -9.051 -1.009 1.00 9.27 H new ATOM 0 HA GLN A 2 8.319 -8.904 -1.985 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.452 -10.403 0.383 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.781 -10.453 -0.142 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.481 -11.500 -2.350 1.00 17.01 H new ATOM 0 HG3 GLN A 2 10.168 -11.391 -1.887 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.192 -13.174 -1.447 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.653 -14.180 -0.070 1.00 19.49 H new ATOM 37 N ILE A 3 7.268 -7.737 0.095 1.00 5.87 N ATOM 38 CA ILE A 3 6.653 -6.814 1.093 1.00 5.07 C ATOM 39 C ILE A 3 5.247 -7.340 1.381 1.00 4.01 C ATOM 40 O ILE A 3 4.760 -8.258 0.642 1.00 4.61 O ATOM 41 CB ILE A 3 6.452 -5.277 0.824 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.434 -4.897 -0.314 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.861 -4.644 0.630 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.805 -3.524 -0.090 1.00 10.83 C ATOM 0 H ILE A 3 6.577 -8.217 -0.481 1.00 5.87 H new ATOM 0 HA ILE A 3 7.414 -6.831 1.873 1.00 5.07 H new ATOM 0 HB ILE A 3 5.955 -4.853 1.696 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.946 -4.907 -1.276 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.648 -5.651 -0.363 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.757 -3.576 0.441 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.456 -4.797 1.531 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.358 -5.116 -0.218 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.110 -3.306 -0.901 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.269 -3.520 0.859 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.587 -2.765 -0.068 1.00 10.83 H new ATOM 56 N PHE A 4 4.609 -6.919 2.478 1.00 4.55 N ATOM 57 CA PHE A 4 3.367 -7.478 2.932 1.00 4.68 C ATOM 58 C PHE A 4 2.461 -6.266 3.097 1.00 5.30 C ATOM 59 O PHE A 4 2.866 -5.262 3.671 1.00 5.58 O ATOM 60 CB PHE A 4 3.420 -8.281 4.245 1.00 4.83 C ATOM 61 CG PHE A 4 4.565 -9.325 4.186 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.824 -10.132 3.034 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.470 -9.436 5.341 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.989 -10.888 2.947 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.555 -10.318 5.299 1.00 10.61 C ATOM 66 CZ PHE A 4 6.823 -11.057 4.107 1.00 8.90 C ATOM 0 H PHE A 4 4.960 -6.168 3.072 1.00 4.55 H new ATOM 0 HA PHE A 4 3.027 -8.221 2.211 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.576 -7.606 5.087 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.467 -8.784 4.411 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.109 -10.155 2.225 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.296 -8.836 6.222 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.267 -11.347 2.010 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.188 -10.440 6.166 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.655 -11.745 4.076 1.00 8.90 H new ATOM 76 N VAL A 5 1.196 -6.391 2.767 1.00 4.44 N ATOM 77 CA VAL A 5 0.092 -5.479 2.940 1.00 3.87 C ATOM 78 C VAL A 5 -0.961 -6.325 3.702 1.00 4.93 C ATOM 79 O VAL A 5 -1.247 -7.467 3.238 1.00 6.84 O ATOM 80 CB VAL A 5 -0.453 -4.848 1.673 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.652 -3.945 1.951 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.630 -4.073 0.867 1.00 9.13 C ATOM 0 H VAL A 5 0.879 -7.247 2.312 1.00 4.44 H new ATOM 0 HA VAL A 5 0.411 -4.589 3.482 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.787 -5.681 1.055 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.009 -3.515 1.015 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.450 -4.530 2.409 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.355 -3.144 2.628 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.180 -3.644 -0.028 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.041 -3.274 1.485 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.429 -4.757 0.580 1.00 9.13 H new ATOM 92 N LYS A 6 -1.426 -5.837 4.876 1.00 6.04 N ATOM 93 CA LYS A 6 -2.490 -6.434 5.720 1.00 6.12 C ATOM 94 C LYS A 6 -3.802 -5.804 5.393 1.00 6.57 C ATOM 95 O LYS A 6 -4.028 -4.588 5.653 1.00 5.76 O ATOM 96 CB LYS A 6 -2.230 -6.650 7.249 1.00 7.45 C ATOM 97 CG LYS A 6 -1.298 -7.832 7.544 1.00 11.12 C ATOM 98 CD LYS A 6 -0.666 -7.763 8.955 1.00 14.54 C ATOM 99 CE LYS A 6 -1.594 -8.496 10.054 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.953 -9.922 9.754 1.00 20.55 N ATOM 0 H LYS A 6 -1.053 -4.978 5.280 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.496 -7.485 5.432 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.798 -5.742 7.669 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.183 -6.813 7.753 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.858 -8.762 7.447 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.505 -7.858 6.797 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.318 -8.231 8.938 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.518 -6.721 9.238 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.081 -8.464 11.015 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.515 -7.924 10.165 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.979 -10.467 10.639 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.887 -9.956 9.298 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.242 -10.332 9.116 1.00 20.55 H new ATOM 114 N THR A 7 -4.710 -6.552 4.703 1.00 7.41 N ATOM 115 CA THR A 7 -6.124 -6.111 4.479 1.00 7.48 C ATOM 116 C THR A 7 -6.911 -5.494 5.637 1.00 8.75 C ATOM 117 O THR A 7 -6.481 -5.531 6.790 1.00 8.58 O ATOM 118 CB THR A 7 -7.061 -7.147 3.824 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.394 -8.222 4.702 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.421 -7.651 2.549 1.00 9.17 C ATOM 0 H THR A 7 -4.492 -7.460 4.293 1.00 7.41 H new ATOM 0 HA THR A 7 -5.870 -5.306 3.790 1.00 7.48 H new ATOM 0 HB THR A 7 -8.005 -6.656 3.591 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.990 -8.849 4.241 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.076 -8.384 2.078 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.262 -6.816 1.867 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.463 -8.117 2.782 1.00 9.17 H new ATOM 128 N LEU A 8 -8.153 -4.946 5.387 1.00 9.84 N ATOM 129 CA LEU A 8 -8.990 -4.418 6.509 1.00 14.15 C ATOM 130 C LEU A 8 -9.184 -5.410 7.640 1.00 17.37 C ATOM 131 O LEU A 8 -8.963 -5.087 8.819 1.00 17.01 O ATOM 132 CB LEU A 8 -10.325 -3.943 5.876 1.00 16.63 C ATOM 133 CG LEU A 8 -11.159 -3.262 6.997 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.589 -1.880 7.381 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.614 -3.185 6.589 1.00 18.59 C ATOM 0 H LEU A 8 -8.573 -4.864 4.461 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.482 -3.587 6.998 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.135 -3.244 5.061 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.870 -4.787 5.452 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.092 -3.877 7.895 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.202 -1.439 8.167 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.566 -1.995 7.740 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.596 -1.228 6.507 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.189 -2.706 7.381 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.704 -2.602 5.672 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.998 -4.191 6.419 1.00 18.59 H new ATOM 147 N THR A 9 -9.475 -6.703 7.370 1.00 18.33 N ATOM 148 CA THR A 9 -9.678 -7.631 8.469 1.00 19.24 C ATOM 149 C THR A 9 -8.407 -8.375 8.863 1.00 19.48 C ATOM 150 O THR A 9 -8.406 -9.272 9.686 1.00 23.14 O ATOM 151 CB THR A 9 -10.727 -8.667 8.061 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.470 -9.296 6.760 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.114 -7.995 7.920 1.00 19.70 C ATOM 0 H THR A 9 -9.568 -7.101 6.436 1.00 18.33 H new ATOM 0 HA THR A 9 -10.001 -7.041 9.327 1.00 19.24 H new ATOM 0 HB THR A 9 -10.688 -9.422 8.847 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.177 -9.946 6.566 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.852 -8.742 7.629 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.402 -7.552 8.873 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.066 -7.217 7.158 1.00 19.70 H new ATOM 161 N GLY A 10 -7.287 -7.927 8.268 1.00 19.43 N ATOM 162 CA GLY A 10 -5.974 -8.244 8.628 1.00 18.74 C ATOM 163 C GLY A 10 -5.285 -9.311 7.844 1.00 17.62 C ATOM 164 O GLY A 10 -4.305 -9.928 8.235 1.00 19.74 O ATOM 0 H GLY A 10 -7.325 -7.291 7.471 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.377 -7.335 8.557 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.975 -8.544 9.676 1.00 18.74 H new ATOM 168 N LYS A 11 -5.791 -9.618 6.615 1.00 13.56 N ATOM 169 CA LYS A 11 -5.278 -10.746 5.855 1.00 11.91 C ATOM 170 C LYS A 11 -4.042 -10.423 5.056 1.00 10.18 C ATOM 171 O LYS A 11 -4.018 -9.559 4.186 1.00 9.10 O ATOM 172 CB LYS A 11 -6.339 -11.270 4.926 1.00 13.43 C ATOM 173 CG LYS A 11 -6.018 -12.638 4.204 1.00 16.69 C ATOM 174 CD LYS A 11 -6.913 -12.875 2.921 1.00 17.92 C ATOM 175 CE LYS A 11 -6.546 -12.006 1.756 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.455 -12.051 0.613 1.00 21.93 N ATOM 0 H LYS A 11 -6.539 -9.098 6.155 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.998 -11.501 6.590 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.262 -11.390 5.493 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.529 -10.516 4.163 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.967 -12.655 3.917 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.170 -13.459 4.905 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.833 -13.920 2.622 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.957 -12.697 3.180 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.481 -10.975 2.103 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.551 -12.291 1.415 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.974 -11.674 -0.228 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.742 -13.035 0.436 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.297 -11.476 0.817 1.00 21.93 H new ATOM 190 N THR A 12 -2.932 -11.074 5.335 1.00 9.63 N ATOM 191 CA THR A 12 -1.666 -10.769 4.677 1.00 9.85 C ATOM 192 C THR A 12 -1.573 -11.126 3.193 1.00 11.66 C ATOM 193 O THR A 12 -1.642 -12.281 2.847 1.00 12.33 O ATOM 194 CB THR A 12 -0.519 -11.526 5.366 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.593 -11.259 6.723 1.00 10.91 O ATOM 196 CG2 THR A 12 0.831 -10.977 4.881 1.00 9.63 C ATOM 0 H THR A 12 -2.875 -11.827 6.020 1.00 9.63 H new ATOM 0 HA THR A 12 -1.595 -9.684 4.760 1.00 9.85 H new ATOM 0 HB THR A 12 -0.600 -12.590 5.146 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.128 -11.732 7.189 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.641 -11.517 5.372 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.910 -11.107 3.802 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.901 -9.917 5.125 1.00 9.63 H new ATOM 204 N ILE A 13 -1.400 -10.163 2.343 1.00 10.42 N ATOM 205 CA ILE A 13 -1.142 -10.411 0.922 1.00 11.84 C ATOM 206 C ILE A 13 0.318 -10.053 0.723 1.00 10.55 C ATOM 207 O ILE A 13 0.754 -8.980 1.093 1.00 11.92 O ATOM 208 CB ILE A 13 -2.072 -9.707 -0.084 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.462 -8.225 0.274 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.383 -10.571 -0.370 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.715 -7.368 -0.926 1.00 16.46 C ATOM 0 H ILE A 13 -1.430 -9.175 2.595 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.363 -11.454 0.698 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.471 -9.634 -0.990 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.355 -8.234 0.899 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.662 -7.780 0.866 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.017 -10.045 -1.084 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.098 -11.539 -0.782 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.931 -10.720 0.561 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.979 -6.360 -0.604 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.816 -7.329 -1.541 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.535 -7.789 -1.508 1.00 16.46 H new ATOM 223 N THR A 14 1.074 -10.939 0.080 1.00 9.39 N ATOM 224 CA THR A 14 2.423 -10.714 -0.328 1.00 9.63 C ATOM 225 C THR A 14 2.542 -10.166 -1.720 1.00 11.20 C ATOM 226 O THR A 14 1.985 -10.749 -2.675 1.00 11.63 O ATOM 227 CB THR A 14 3.416 -11.951 -0.282 1.00 10.38 C ATOM 228 OG1 THR A 14 3.346 -12.542 0.990 1.00 16.30 O ATOM 229 CG2 THR A 14 4.848 -11.617 -0.613 1.00 11.66 C ATOM 0 H THR A 14 0.732 -11.866 -0.173 1.00 9.39 H new ATOM 0 HA THR A 14 2.723 -9.999 0.438 1.00 9.63 H new ATOM 0 HB THR A 14 3.090 -12.639 -1.062 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.771 -11.953 1.648 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.455 -12.521 -0.557 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.902 -11.205 -1.621 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.224 -10.883 0.099 1.00 11.66 H new ATOM 237 N LEU A 15 3.273 -9.060 -1.856 1.00 8.29 N ATOM 238 CA LEU A 15 3.443 -8.275 -3.087 1.00 9.03 C ATOM 239 C LEU A 15 4.962 -8.151 -3.407 1.00 8.59 C ATOM 240 O LEU A 15 5.746 -7.605 -2.596 1.00 7.79 O ATOM 241 CB LEU A 15 2.957 -6.744 -2.999 1.00 11.08 C ATOM 242 CG LEU A 15 1.498 -6.591 -2.650 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.046 -5.155 -2.616 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.617 -7.437 -3.561 1.00 15.27 C ATOM 0 H LEU A 15 3.791 -8.663 -1.072 1.00 8.29 H new ATOM 0 HA LEU A 15 2.844 -8.809 -3.825 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.557 -6.224 -2.252 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.146 -6.256 -3.955 1.00 11.08 H new ATOM 0 HG LEU A 15 1.386 -6.966 -1.633 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.012 -5.113 -2.359 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.623 -4.610 -1.869 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.200 -4.702 -3.595 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.428 -7.304 -3.283 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.759 -7.126 -4.596 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.889 -8.487 -3.457 1.00 15.27 H new ATOM 256 N GLU A 16 5.348 -8.590 -4.645 1.00 11.04 N ATOM 257 CA GLU A 16 6.726 -8.463 -5.095 1.00 11.50 C ATOM 258 C GLU A 16 6.894 -7.130 -5.783 1.00 10.13 C ATOM 259 O GLU A 16 6.106 -6.623 -6.602 1.00 9.83 O ATOM 260 CB GLU A 16 7.157 -9.581 -6.059 1.00 17.22 C ATOM 261 CG GLU A 16 8.689 -9.486 -6.445 1.00 23.33 C ATOM 262 CD GLU A 16 9.052 -10.556 -7.465 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.457 -10.543 -8.605 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.885 -11.481 -7.168 1.00 28.86 O ATOM 0 H GLU A 16 4.719 -9.024 -5.321 1.00 11.04 H new ATOM 0 HA GLU A 16 7.360 -8.542 -4.212 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.960 -10.550 -5.599 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.553 -9.529 -6.965 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.906 -8.499 -6.853 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.303 -9.604 -5.552 1.00 23.33 H new ATOM 271 N VAL A 17 7.915 -6.391 -5.299 1.00 8.99 N ATOM 272 CA VAL A 17 8.080 -4.956 -5.553 1.00 8.85 C ATOM 273 C VAL A 17 9.529 -4.496 -5.612 1.00 8.04 C ATOM 274 O VAL A 17 10.429 -5.259 -5.265 1.00 8.99 O ATOM 275 CB VAL A 17 7.349 -4.028 -4.508 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.839 -4.241 -4.470 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.992 -4.178 -3.170 1.00 10.54 C ATOM 0 H VAL A 17 8.653 -6.785 -4.715 1.00 8.99 H new ATOM 0 HA VAL A 17 7.617 -4.848 -6.534 1.00 8.85 H new ATOM 0 HB VAL A 17 7.468 -2.994 -4.831 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.396 -3.573 -3.731 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.417 -4.028 -5.452 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.624 -5.275 -4.199 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.486 -3.536 -2.449 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.919 -5.216 -2.846 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.042 -3.892 -3.237 1.00 10.54 H new ATOM 287 N GLU A 18 9.865 -3.251 -6.147 1.00 7.29 N ATOM 288 CA GLU A 18 11.177 -2.697 -6.105 1.00 7.08 C ATOM 289 C GLU A 18 11.122 -1.358 -5.354 1.00 6.45 C ATOM 290 O GLU A 18 10.089 -0.691 -5.348 1.00 5.28 O ATOM 291 CB GLU A 18 11.731 -2.345 -7.495 1.00 10.28 C ATOM 292 CG GLU A 18 12.016 -3.550 -8.338 1.00 12.65 C ATOM 293 CD GLU A 18 13.188 -4.373 -7.859 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.302 -3.821 -7.654 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.002 -5.613 -7.644 1.00 14.33 O ATOM 0 H GLU A 18 9.186 -2.647 -6.610 1.00 7.29 H new ATOM 0 HA GLU A 18 11.808 -3.451 -5.634 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.015 -1.707 -8.014 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.647 -1.766 -7.378 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.128 -4.182 -8.363 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.206 -3.228 -9.362 1.00 12.65 H new ATOM 302 N PRO A 19 12.182 -0.934 -4.756 1.00 7.24 N ATOM 303 CA PRO A 19 12.204 0.308 -3.967 1.00 7.07 C ATOM 304 C PRO A 19 11.742 1.559 -4.680 1.00 6.65 C ATOM 305 O PRO A 19 11.304 2.564 -4.100 1.00 6.37 O ATOM 306 CB PRO A 19 13.649 0.369 -3.550 1.00 7.61 C ATOM 307 CG PRO A 19 13.965 -1.088 -3.320 1.00 8.16 C ATOM 308 CD PRO A 19 13.409 -1.726 -4.560 1.00 7.49 C ATOM 0 HA PRO A 19 11.486 0.281 -3.147 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.280 0.807 -4.324 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.790 0.965 -2.648 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.036 -1.262 -3.216 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.491 -1.471 -2.416 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.091 -1.646 -5.406 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.198 -2.786 -4.419 1.00 7.49 H new ATOM 316 N SER A 20 11.919 1.614 -5.999 1.00 6.80 N ATOM 317 CA SER A 20 11.521 2.760 -6.767 1.00 6.28 C ATOM 318 C SER A 20 10.058 2.736 -7.287 1.00 8.45 C ATOM 319 O SER A 20 9.597 3.683 -7.920 1.00 7.26 O ATOM 320 CB SER A 20 12.365 3.084 -7.975 1.00 8.57 C ATOM 321 OG SER A 20 13.750 3.230 -7.726 1.00 11.13 O ATOM 0 H SER A 20 12.340 0.865 -6.548 1.00 6.80 H new ATOM 0 HA SER A 20 11.656 3.524 -6.001 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.227 2.296 -8.715 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.994 4.007 -8.420 1.00 8.57 H new ATOM 0 HG SER A 20 14.213 3.436 -8.565 1.00 11.13 H new ATOM 327 N ASP A 21 9.249 1.694 -6.930 1.00 7.50 N ATOM 328 CA ASP A 21 7.926 1.600 -7.366 1.00 7.70 C ATOM 329 C ASP A 21 7.103 2.732 -6.660 1.00 7.08 C ATOM 330 O ASP A 21 7.367 3.111 -5.515 1.00 8.11 O ATOM 331 CB ASP A 21 7.164 0.308 -7.026 1.00 11.00 C ATOM 332 CG ASP A 21 7.605 -0.772 -7.925 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.842 -0.531 -9.132 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.732 -1.978 -7.476 1.00 18.03 O ATOM 0 H ASP A 21 9.548 0.925 -6.331 1.00 7.50 H new ATOM 0 HA ASP A 21 8.006 1.656 -8.452 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.345 0.029 -5.988 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.091 0.468 -7.131 1.00 11.00 H new ATOM 339 N THR A 22 6.134 3.313 -7.352 1.00 5.37 N ATOM 340 CA THR A 22 5.198 4.204 -6.716 1.00 6.01 C ATOM 341 C THR A 22 4.181 3.605 -5.861 1.00 8.01 C ATOM 342 O THR A 22 3.782 2.414 -6.022 1.00 8.11 O ATOM 343 CB THR A 22 4.548 5.265 -7.631 1.00 8.92 C ATOM 344 OG1 THR A 22 3.520 4.715 -8.470 1.00 10.22 O ATOM 345 CG2 THR A 22 5.630 5.860 -8.546 1.00 9.65 C ATOM 0 H THR A 22 5.982 3.179 -8.352 1.00 5.37 H new ATOM 0 HA THR A 22 5.895 4.714 -6.051 1.00 6.01 H new ATOM 0 HB THR A 22 4.097 6.017 -6.984 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.096 5.435 -8.982 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.183 6.611 -9.197 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.407 6.323 -7.937 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.069 5.068 -9.153 1.00 9.65 H new ATOM 353 N ILE A 23 3.697 4.418 -4.917 1.00 8.32 N ATOM 354 CA ILE A 23 2.590 4.019 -4.015 1.00 9.92 C ATOM 355 C ILE A 23 1.335 3.665 -4.800 1.00 10.01 C ATOM 356 O ILE A 23 0.671 2.685 -4.477 1.00 8.71 O ATOM 357 CB ILE A 23 2.334 4.981 -2.807 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.588 5.256 -1.982 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.093 4.500 -2.020 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.143 3.991 -1.293 1.00 12.30 C ATOM 0 H ILE A 23 4.049 5.361 -4.750 1.00 8.32 H new ATOM 0 HA ILE A 23 2.928 3.108 -3.522 1.00 9.92 H new ATOM 0 HB ILE A 23 2.090 5.976 -3.178 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.357 5.678 -2.629 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.361 6.006 -1.225 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.914 5.169 -1.179 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.223 4.501 -2.676 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.266 3.490 -1.649 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.034 4.249 -0.721 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.388 3.581 -0.622 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.399 3.248 -2.048 1.00 12.30 H new ATOM 372 N GLU A 24 0.858 4.447 -5.804 1.00 9.54 N ATOM 373 CA GLU A 24 -0.289 4.246 -6.624 1.00 11.81 C ATOM 374 C GLU A 24 -0.161 2.984 -7.474 1.00 11.14 C ATOM 375 O GLU A 24 -1.135 2.294 -7.615 1.00 10.62 O ATOM 376 CB GLU A 24 -0.687 5.520 -7.449 1.00 19.24 C ATOM 377 CG GLU A 24 -2.099 5.539 -8.060 1.00 27.76 C ATOM 378 CD GLU A 24 -2.461 6.815 -8.772 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.600 7.215 -9.649 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.543 7.422 -8.530 1.00 36.51 O ATOM 0 H GLU A 24 1.340 5.310 -6.056 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.131 4.078 -5.953 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.586 6.390 -6.800 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.034 5.640 -8.257 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.187 4.710 -8.762 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.825 5.363 -7.267 1.00 27.76 H new ATOM 387 N ASN A 25 1.072 2.613 -7.964 1.00 9.43 N ATOM 388 CA ASN A 25 1.307 1.319 -8.608 1.00 10.96 C ATOM 389 C ASN A 25 1.198 0.162 -7.608 1.00 9.68 C ATOM 390 O ASN A 25 0.750 -0.946 -8.003 1.00 9.33 O ATOM 391 CB ASN A 25 2.694 1.273 -9.255 1.00 16.78 C ATOM 392 CG ASN A 25 2.660 1.922 -10.589 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.438 1.151 -11.531 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.802 3.220 -10.741 1.00 24.70 N ATOM 0 H ASN A 25 1.900 3.207 -7.913 1.00 9.43 H new ATOM 0 HA ASN A 25 0.538 1.206 -9.372 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.418 1.778 -8.616 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.023 0.238 -9.354 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.730 3.636 -11.670 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.984 3.812 -9.930 1.00 24.70 H new ATOM 401 N VAL A 26 1.533 0.373 -6.280 1.00 6.52 N ATOM 402 CA VAL A 26 1.232 -0.708 -5.290 1.00 5.53 C ATOM 403 C VAL A 26 -0.307 -0.789 -5.104 1.00 4.42 C ATOM 404 O VAL A 26 -0.882 -1.860 -5.080 1.00 3.40 O ATOM 405 CB VAL A 26 2.024 -0.560 -4.002 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.689 -1.740 -3.015 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.537 -0.672 -4.331 1.00 8.12 C ATOM 0 H VAL A 26 1.974 1.212 -5.905 1.00 6.52 H new ATOM 0 HA VAL A 26 1.569 -1.671 -5.674 1.00 5.53 H new ATOM 0 HB VAL A 26 1.773 0.400 -3.550 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.264 -1.621 -2.097 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.624 -1.727 -2.781 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.946 -2.690 -3.483 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.117 -0.567 -3.414 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.741 -1.644 -4.780 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.817 0.117 -5.030 1.00 8.12 H new ATOM 417 N LYS A 27 -1.051 0.293 -5.167 1.00 2.64 N ATOM 418 CA LYS A 27 -2.541 0.247 -5.083 1.00 4.14 C ATOM 419 C LYS A 27 -3.170 -0.385 -6.270 1.00 5.58 C ATOM 420 O LYS A 27 -4.236 -1.030 -6.195 1.00 4.11 O ATOM 421 CB LYS A 27 -3.195 1.602 -4.868 1.00 3.97 C ATOM 422 CG LYS A 27 -2.807 2.248 -3.540 1.00 7.45 C ATOM 423 CD LYS A 27 -3.428 3.669 -3.207 1.00 9.02 C ATOM 424 CE LYS A 27 -2.946 4.214 -1.869 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.374 5.536 -1.613 1.00 15.47 N ATOM 0 H LYS A 27 -0.670 1.233 -5.277 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.719 -0.367 -4.200 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.916 2.268 -5.685 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.278 1.487 -4.907 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.086 1.563 -2.739 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.721 2.342 -3.516 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.166 4.372 -3.998 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.515 3.594 -3.195 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.303 3.564 -1.071 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.857 4.182 -1.843 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.678 6.015 -1.006 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.463 6.052 -2.511 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.296 5.515 -1.133 1.00 15.47 H new ATOM 439 N ALA A 28 -2.605 -0.182 -7.480 1.00 6.61 N ATOM 440 CA ALA A 28 -3.008 -0.864 -8.694 1.00 7.74 C ATOM 441 C ALA A 28 -2.879 -2.364 -8.605 1.00 9.17 C ATOM 442 O ALA A 28 -3.698 -3.103 -9.181 1.00 11.45 O ATOM 443 CB ALA A 28 -2.121 -0.302 -9.759 1.00 7.68 C ATOM 0 H ALA A 28 -1.841 0.478 -7.626 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.066 -0.700 -8.898 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.361 -0.767 -10.715 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.275 0.775 -9.830 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.079 -0.504 -9.509 1.00 7.68 H new ATOM 449 N LYS A 29 -1.824 -2.877 -7.915 1.00 8.96 N ATOM 450 CA LYS A 29 -1.593 -4.258 -7.660 1.00 7.90 C ATOM 451 C LYS A 29 -2.389 -4.839 -6.494 1.00 6.92 C ATOM 452 O LYS A 29 -2.777 -6.005 -6.509 1.00 6.87 O ATOM 453 CB LYS A 29 -0.065 -4.478 -7.469 1.00 10.28 C ATOM 454 CG LYS A 29 0.485 -5.891 -7.348 1.00 14.94 C ATOM 455 CD LYS A 29 2.026 -5.888 -6.958 1.00 19.69 C ATOM 456 CE LYS A 29 2.996 -5.377 -8.055 1.00 22.63 C ATOM 457 NZ LYS A 29 3.052 -6.278 -9.241 1.00 24.98 N ATOM 0 H LYS A 29 -1.098 -2.280 -7.518 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.959 -4.808 -8.527 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.440 -4.003 -8.310 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.232 -3.935 -6.572 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.081 -6.439 -6.594 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.349 -6.417 -8.293 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.156 -5.272 -6.068 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.315 -6.903 -6.687 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.685 -4.382 -8.374 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.996 -5.278 -7.632 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.715 -5.889 -9.942 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.375 -7.221 -8.945 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.105 -6.354 -9.665 1.00 24.98 H new ATOM 471 N ILE A 30 -2.674 -4.044 -5.391 1.00 4.57 N ATOM 472 CA ILE A 30 -3.626 -4.407 -4.412 1.00 5.58 C ATOM 473 C ILE A 30 -5.033 -4.707 -5.035 1.00 7.26 C ATOM 474 O ILE A 30 -5.602 -5.747 -4.772 1.00 9.46 O ATOM 475 CB ILE A 30 -3.645 -3.392 -3.261 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.258 -3.276 -2.561 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.755 -3.834 -2.262 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.169 -2.083 -1.598 1.00 2.00 C ATOM 0 H ILE A 30 -2.219 -3.149 -5.212 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.318 -5.354 -3.969 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.862 -2.397 -3.650 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.057 -4.195 -2.011 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.481 -3.182 -3.320 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.795 -3.132 -1.429 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.718 -3.848 -2.772 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.529 -4.831 -1.885 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.179 -2.057 -1.142 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.340 -1.158 -2.148 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.925 -2.187 -0.819 1.00 2.00 H new ATOM 490 N GLN A 31 -5.454 -3.876 -6.051 1.00 7.06 N ATOM 491 CA GLN A 31 -6.715 -4.120 -6.744 1.00 8.67 C ATOM 492 C GLN A 31 -6.682 -5.441 -7.542 1.00 10.90 C ATOM 493 O GLN A 31 -7.620 -6.211 -7.586 1.00 9.63 O ATOM 494 CB GLN A 31 -6.895 -3.014 -7.896 1.00 9.12 C ATOM 495 CG GLN A 31 -8.206 -3.143 -8.677 1.00 10.76 C ATOM 496 CD GLN A 31 -8.253 -2.087 -9.761 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.307 -1.774 -10.492 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.380 -1.365 -9.785 1.00 14.76 N ATOM 0 H GLN A 31 -4.936 -3.062 -6.380 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.493 -4.120 -5.981 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.847 -2.023 -7.446 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.059 -3.088 -8.592 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.282 -4.137 -9.119 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.056 -3.027 -8.004 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.163 -1.621 -9.183 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.456 -0.559 -10.405 1.00 14.76 H new ATOM 507 N ASP A 32 -5.571 -5.697 -8.219 1.00 10.93 N ATOM 508 CA ASP A 32 -5.392 -6.927 -8.998 1.00 14.01 C ATOM 509 C ASP A 32 -5.431 -8.236 -8.094 1.00 14.04 C ATOM 510 O ASP A 32 -6.038 -9.291 -8.446 1.00 13.39 O ATOM 511 CB ASP A 32 -4.025 -6.732 -9.806 1.00 18.01 C ATOM 512 CG ASP A 32 -3.758 -7.786 -10.815 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.440 -7.762 -11.898 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.862 -8.667 -10.584 1.00 25.17 O ATOM 0 H ASP A 32 -4.770 -5.066 -8.248 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.218 -7.088 -9.691 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.047 -5.764 -10.306 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.198 -6.706 -9.097 1.00 18.01 H new ATOM 519 N LYS A 33 -4.991 -8.140 -6.824 1.00 14.22 N ATOM 520 CA LYS A 33 -5.112 -9.168 -5.779 1.00 14.00 C ATOM 521 C LYS A 33 -6.563 -9.279 -5.170 1.00 12.37 C ATOM 522 O LYS A 33 -7.204 -10.288 -5.182 1.00 12.17 O ATOM 523 CB LYS A 33 -4.194 -8.825 -4.558 1.00 18.62 C ATOM 524 CG LYS A 33 -2.704 -9.214 -4.675 1.00 24.00 C ATOM 525 CD LYS A 33 -2.400 -10.708 -4.702 1.00 27.61 C ATOM 526 CE LYS A 33 -0.945 -11.051 -4.369 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.842 -12.531 -4.198 1.00 30.06 N ATOM 0 H LYS A 33 -4.519 -7.301 -6.486 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.837 -10.097 -6.278 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.252 -7.751 -4.381 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.605 -9.316 -3.676 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.303 -8.766 -5.584 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.167 -8.770 -3.837 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.054 -11.215 -3.992 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.638 -11.100 -5.691 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.283 -10.713 -5.166 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.633 -10.540 -3.458 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.140 -12.787 -3.971 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.467 -12.835 -3.424 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.127 -13.003 -5.080 1.00 30.06 H new ATOM 541 N GLU A 34 -7.063 -8.150 -4.666 1.00 10.11 N ATOM 542 CA GLU A 34 -8.118 -8.061 -3.747 1.00 10.07 C ATOM 543 C GLU A 34 -9.394 -7.494 -4.302 1.00 9.32 C ATOM 544 O GLU A 34 -10.462 -7.688 -3.751 1.00 11.61 O ATOM 545 CB GLU A 34 -7.653 -7.320 -2.467 1.00 14.77 C ATOM 546 CG GLU A 34 -6.680 -8.166 -1.615 1.00 18.75 C ATOM 547 CD GLU A 34 -7.314 -9.509 -1.176 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.391 -9.413 -0.491 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.811 -10.610 -1.452 1.00 25.19 O ATOM 0 H GLU A 34 -6.695 -7.235 -4.927 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.381 -9.087 -3.489 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.167 -6.386 -2.748 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.524 -7.058 -1.866 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.773 -8.363 -2.187 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.383 -7.599 -0.733 1.00 18.75 H new ATOM 556 N GLY A 35 -9.321 -6.732 -5.426 1.00 7.22 N ATOM 557 CA GLY A 35 -10.534 -6.183 -6.016 1.00 6.29 C ATOM 558 C GLY A 35 -10.931 -4.862 -5.546 1.00 6.93 C ATOM 559 O GLY A 35 -11.919 -4.265 -5.934 1.00 7.41 O ATOM 0 H GLY A 35 -8.457 -6.499 -5.916 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.400 -6.137 -7.097 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.353 -6.876 -5.825 1.00 6.29 H new ATOM 563 N ILE A 36 -10.167 -4.344 -4.576 1.00 5.86 N ATOM 564 CA ILE A 36 -10.320 -2.960 -4.078 1.00 6.07 C ATOM 565 C ILE A 36 -10.032 -1.810 -5.089 1.00 6.36 C ATOM 566 O ILE A 36 -8.859 -1.740 -5.509 1.00 6.18 O ATOM 567 CB ILE A 36 -9.611 -2.723 -2.745 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.620 -3.952 -1.795 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.280 -1.439 -2.098 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.887 -3.811 -0.477 1.00 9.49 C ATOM 0 H ILE A 36 -9.425 -4.867 -4.111 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.396 -2.899 -3.916 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.548 -2.560 -2.921 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.658 -4.205 -1.579 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.191 -4.798 -2.332 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.807 -1.226 -1.139 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.150 -0.586 -2.764 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.344 -1.621 -1.945 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.972 -4.739 0.088 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.835 -3.597 -0.667 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.325 -2.995 0.098 1.00 9.49 H new ATOM 582 N PRO A 37 -10.888 -0.824 -5.393 1.00 8.65 N ATOM 583 CA PRO A 37 -10.538 0.340 -6.142 1.00 9.18 C ATOM 584 C PRO A 37 -9.360 1.205 -5.517 1.00 9.85 C ATOM 585 O PRO A 37 -9.660 1.552 -4.404 1.00 8.51 O ATOM 586 CB PRO A 37 -11.900 1.080 -6.263 1.00 11.42 C ATOM 587 CG PRO A 37 -12.927 -0.066 -6.256 1.00 9.27 C ATOM 588 CD PRO A 37 -12.297 -0.838 -5.120 1.00 8.33 C ATOM 0 HA PRO A 37 -10.099 0.104 -7.111 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.059 1.768 -5.433 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.959 1.667 -7.179 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.944 0.264 -6.044 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.961 -0.623 -7.192 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.517 -0.374 -4.159 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.680 -1.858 -5.076 1.00 8.33 H new ATOM 596 N PRO A 38 -8.219 1.576 -6.118 1.00 8.71 N ATOM 597 CA PRO A 38 -7.242 2.443 -5.607 1.00 9.08 C ATOM 598 C PRO A 38 -7.719 3.677 -4.838 1.00 9.28 C ATOM 599 O PRO A 38 -7.057 3.993 -3.836 1.00 6.50 O ATOM 600 CB PRO A 38 -6.347 2.804 -6.810 1.00 10.31 C ATOM 601 CG PRO A 38 -6.388 1.557 -7.649 1.00 10.81 C ATOM 602 CD PRO A 38 -7.747 0.984 -7.375 1.00 12.00 C ATOM 0 HA PRO A 38 -6.712 1.920 -4.812 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.730 3.668 -7.353 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.331 3.048 -6.499 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.255 1.783 -8.707 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.597 0.861 -7.370 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.433 1.213 -8.190 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.698 -0.102 -7.295 1.00 12.00 H new ATOM 610 N ASP A 39 -8.766 4.384 -5.269 1.00 11.20 N ATOM 611 CA ASP A 39 -9.426 5.453 -4.504 1.00 14.96 C ATOM 612 C ASP A 39 -9.941 5.018 -3.075 1.00 13.99 C ATOM 613 O ASP A 39 -9.904 5.860 -2.157 1.00 13.75 O ATOM 614 CB ASP A 39 -10.660 6.049 -5.277 1.00 24.16 C ATOM 615 CG ASP A 39 -10.103 6.810 -6.478 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.523 7.903 -6.376 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.225 6.304 -7.650 1.00 35.55 O ATOM 0 H ASP A 39 -9.192 4.228 -6.183 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.638 6.195 -4.377 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.333 5.255 -5.601 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.236 6.713 -4.632 1.00 24.16 H new ATOM 622 N GLN A 40 -10.382 3.812 -2.829 1.00 11.60 N ATOM 623 CA GLN A 40 -10.866 3.398 -1.561 1.00 10.76 C ATOM 624 C GLN A 40 -9.702 2.849 -0.613 1.00 8.01 C ATOM 625 O GLN A 40 -9.878 2.427 0.561 1.00 8.96 O ATOM 626 CB GLN A 40 -11.905 2.293 -1.661 1.00 11.14 C ATOM 627 CG GLN A 40 -13.187 2.809 -2.272 1.00 14.85 C ATOM 628 CD GLN A 40 -14.101 1.641 -2.364 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.765 0.455 -2.218 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.325 1.864 -2.879 1.00 18.16 N ATOM 0 H GLN A 40 -10.410 3.077 -3.535 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.312 4.298 -1.138 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.514 1.475 -2.265 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.108 1.889 -0.669 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.622 3.596 -1.657 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.004 3.239 -3.257 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.652 2.820 -3.020 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.925 1.077 -3.128 1.00 18.16 H new ATOM 639 N GLN A 41 -8.439 2.822 -1.086 1.00 6.52 N ATOM 640 CA GLN A 41 -7.379 2.257 -0.361 1.00 3.87 C ATOM 641 C GLN A 41 -6.484 3.429 0.219 1.00 4.79 C ATOM 642 O GLN A 41 -5.864 4.206 -0.462 1.00 6.34 O ATOM 643 CB GLN A 41 -6.442 1.311 -1.213 1.00 4.20 C ATOM 644 CG GLN A 41 -7.037 0.078 -1.855 1.00 3.20 C ATOM 645 CD GLN A 41 -6.029 -0.535 -2.805 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.861 -0.704 -2.410 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.359 -0.911 -4.036 1.00 7.13 N ATOM 0 H GLN A 41 -8.167 3.205 -1.992 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.833 1.643 0.417 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.998 1.914 -2.006 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.627 0.985 -0.566 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.316 -0.645 -1.089 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.948 0.339 -2.394 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.313 -0.778 -4.371 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.658 -1.333 -4.645 1.00 7.13 H new ATOM 656 N ARG A 42 -6.447 3.544 1.541 1.00 5.73 N ATOM 657 CA ARG A 42 -5.453 4.308 2.271 1.00 6.97 C ATOM 658 C ARG A 42 -4.437 3.385 2.887 1.00 7.15 C ATOM 659 O ARG A 42 -4.844 2.418 3.492 1.00 7.33 O ATOM 660 CB ARG A 42 -6.321 5.196 3.288 1.00 13.23 C ATOM 661 CG ARG A 42 -5.468 6.003 4.249 1.00 21.27 C ATOM 662 CD ARG A 42 -6.163 7.070 5.056 1.00 26.14 C ATOM 663 NE ARG A 42 -6.544 8.214 4.119 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.748 8.837 4.173 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.744 8.394 4.897 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.969 9.833 3.358 1.00 36.39 N ATOM 0 H ARG A 42 -7.130 3.093 2.149 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.834 4.968 1.664 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.956 5.874 2.718 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.982 4.543 3.858 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.993 5.310 4.943 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.671 6.477 3.677 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.052 6.662 5.537 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.509 7.432 5.849 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.865 8.523 3.423 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.633 7.546 5.453 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.631 8.897 4.906 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.245 10.125 2.702 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.866 10.319 3.378 1.00 36.39 H new ATOM 680 N LEU A 43 -3.107 3.682 2.822 1.00 4.65 N ATOM 681 CA LEU A 43 -2.093 2.785 3.308 1.00 3.51 C ATOM 682 C LEU A 43 -1.320 3.358 4.431 1.00 5.56 C ATOM 683 O LEU A 43 -0.905 4.528 4.393 1.00 4.19 O ATOM 684 CB LEU A 43 -1.218 2.289 2.227 1.00 3.74 C ATOM 685 CG LEU A 43 -2.047 1.560 1.031 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.024 1.092 -0.043 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.778 0.352 1.476 1.00 6.41 C ATOM 0 H LEU A 43 -2.741 4.550 2.429 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.620 1.918 3.707 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.650 3.123 1.814 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.496 1.587 2.643 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.774 2.282 0.659 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.553 0.599 -0.859 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.483 1.955 -0.431 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.318 0.394 0.407 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.309 -0.084 0.630 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.071 -0.375 1.875 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.494 0.625 2.252 1.00 6.41 H new ATOM 699 N ILE A 44 -1.031 2.621 5.529 1.00 4.58 N ATOM 700 CA ILE A 44 -0.144 3.202 6.562 1.00 5.55 C ATOM 701 C ILE A 44 1.068 2.314 6.726 1.00 5.46 C ATOM 702 O ILE A 44 0.930 1.065 6.685 1.00 6.04 O ATOM 703 CB ILE A 44 -0.861 3.177 7.914 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.336 3.773 7.858 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.105 4.160 8.854 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.514 5.263 7.332 1.00 13.90 C ATOM 0 H ILE A 44 -1.375 1.679 5.717 1.00 4.58 H new ATOM 0 HA ILE A 44 0.126 4.215 6.263 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.889 2.136 8.234 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.937 3.120 7.225 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.757 3.720 8.862 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.587 4.171 9.832 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.930 3.836 8.963 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.128 5.162 8.427 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.570 5.531 7.350 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.956 5.945 7.974 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.138 5.336 6.311 1.00 13.90 H new ATOM 718 N PHE A 45 2.294 2.859 6.856 1.00 6.75 N ATOM 719 CA PHE A 45 3.373 2.047 7.313 1.00 4.70 C ATOM 720 C PHE A 45 3.966 2.866 8.443 1.00 6.34 C ATOM 721 O PHE A 45 4.319 4.033 8.187 1.00 5.45 O ATOM 722 CB PHE A 45 4.407 2.006 6.131 1.00 5.51 C ATOM 723 CG PHE A 45 5.640 1.345 6.507 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.594 0.007 7.008 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.860 2.049 6.470 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.776 -0.578 7.396 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.004 1.427 6.841 1.00 6.64 C ATOM 728 CZ PHE A 45 7.963 0.161 7.357 1.00 6.84 C ATOM 0 H PHE A 45 2.530 3.830 6.651 1.00 6.75 H new ATOM 0 HA PHE A 45 3.100 1.037 7.619 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.964 1.488 5.280 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.626 3.023 5.806 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.659 -0.528 7.080 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.882 3.079 6.147 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.788 -1.605 7.730 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.952 1.932 6.729 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.870 -0.279 7.744 1.00 6.84 H new ATOM 738 N ALA A 46 4.129 2.240 9.634 1.00 6.53 N ATOM 739 CA ALA A 46 4.708 2.697 10.915 1.00 7.15 C ATOM 740 C ALA A 46 4.422 4.179 11.208 1.00 9.00 C ATOM 741 O ALA A 46 5.258 5.037 11.362 1.00 11.15 O ATOM 742 CB ALA A 46 6.207 2.448 10.966 1.00 8.99 C ATOM 0 H ALA A 46 3.814 1.274 9.727 1.00 6.53 H new ATOM 0 HA ALA A 46 4.217 2.106 11.688 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.601 2.795 11.921 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.402 1.381 10.859 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.693 2.989 10.154 1.00 8.99 H new ATOM 748 N GLY A 47 3.138 4.579 11.290 1.00 9.35 N ATOM 749 CA GLY A 47 2.588 5.837 11.722 1.00 11.68 C ATOM 750 C GLY A 47 2.640 6.903 10.693 1.00 11.14 C ATOM 751 O GLY A 47 2.207 8.032 10.906 1.00 13.93 O ATOM 0 H GLY A 47 2.392 3.939 11.019 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.551 5.685 12.021 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.129 6.174 12.607 1.00 11.68 H new ATOM 755 N LYS A 48 3.076 6.473 9.518 1.00 10.47 N ATOM 756 CA LYS A 48 3.076 7.185 8.318 1.00 8.82 C ATOM 757 C LYS A 48 2.073 6.749 7.328 1.00 7.68 C ATOM 758 O LYS A 48 2.135 5.656 6.730 1.00 6.47 O ATOM 759 CB LYS A 48 4.484 7.183 7.586 1.00 9.74 C ATOM 760 CG LYS A 48 5.604 7.644 8.497 1.00 14.14 C ATOM 761 CD LYS A 48 5.437 9.033 9.087 1.00 16.32 C ATOM 762 CE LYS A 48 6.603 9.446 10.011 1.00 20.04 C ATOM 763 NZ LYS A 48 7.818 9.517 9.244 1.00 23.92 N ATOM 0 H LYS A 48 3.464 5.536 9.407 1.00 10.47 H new ATOM 0 HA LYS A 48 2.818 8.188 8.657 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.702 6.178 7.225 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.438 7.833 6.712 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.701 6.930 9.315 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.539 7.616 7.937 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.350 9.757 8.277 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.505 9.072 9.650 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.393 10.412 10.470 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.713 8.725 10.821 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.542 10.030 9.787 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.156 8.555 9.040 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.636 10.017 8.350 1.00 23.92 H new ATOM 777 N GLN A 49 1.061 7.599 7.058 1.00 8.89 N ATOM 778 CA GLN A 49 0.209 7.566 5.828 1.00 7.18 C ATOM 779 C GLN A 49 1.048 7.555 4.544 1.00 8.23 C ATOM 780 O GLN A 49 1.974 8.379 4.418 1.00 9.70 O ATOM 781 CB GLN A 49 -0.829 8.728 5.889 1.00 11.67 C ATOM 782 CG GLN A 49 -1.914 8.752 4.734 1.00 15.82 C ATOM 783 CD GLN A 49 -2.920 9.911 5.044 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.833 9.842 5.877 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.642 11.076 4.465 1.00 20.67 N ATOM 0 H GLN A 49 0.799 8.349 7.698 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.347 6.629 5.799 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.348 8.676 6.846 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.287 9.674 5.871 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.438 8.909 3.766 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.437 7.797 4.681 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.891 11.138 3.778 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.180 11.908 4.708 1.00 20.67 H new ATOM 794 N LEU A 50 0.844 6.693 3.562 1.00 6.51 N ATOM 795 CA LEU A 50 1.710 6.656 2.396 1.00 7.41 C ATOM 796 C LEU A 50 1.010 7.475 1.248 1.00 8.27 C ATOM 797 O LEU A 50 -0.021 7.026 0.709 1.00 8.34 O ATOM 798 CB LEU A 50 1.945 5.171 1.880 1.00 7.13 C ATOM 799 CG LEU A 50 2.591 4.295 2.934 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.581 2.865 2.442 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.107 4.627 3.126 1.00 9.11 C ATOM 0 H LEU A 50 0.087 6.010 3.549 1.00 6.51 H new ATOM 0 HA LEU A 50 2.678 7.077 2.668 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.991 4.736 1.583 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.576 5.192 0.991 1.00 7.13 H new ATOM 0 HG LEU A 50 2.038 4.455 3.860 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.043 2.220 3.189 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.553 2.546 2.273 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.140 2.797 1.509 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.528 3.975 3.891 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.635 4.472 2.185 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.215 5.666 3.436 1.00 9.11 H new ATOM 813 N GLU A 51 1.577 8.562 0.770 1.00 9.43 N ATOM 814 CA GLU A 51 0.966 9.331 -0.303 1.00 11.90 C ATOM 815 C GLU A 51 1.343 8.868 -1.726 1.00 11.49 C ATOM 816 O GLU A 51 2.433 8.379 -2.003 1.00 9.88 O ATOM 817 CB GLU A 51 1.332 10.815 -0.138 1.00 16.56 C ATOM 818 CG GLU A 51 0.568 11.800 -1.044 1.00 26.06 C ATOM 819 CD GLU A 51 0.953 13.152 -0.598 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.276 13.687 0.327 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.851 13.794 -1.178 1.00 33.44 O ATOM 0 H GLU A 51 2.464 8.938 1.106 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.108 9.168 -0.211 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.161 11.099 0.900 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.399 10.930 -0.328 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.828 11.647 -2.092 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.509 11.653 -0.958 1.00 26.06 H new ATOM 828 N ASP A 52 0.334 8.942 -2.627 1.00 12.71 N ATOM 829 CA ASP A 52 0.284 8.150 -3.876 1.00 16.56 C ATOM 830 C ASP A 52 1.400 8.445 -4.917 1.00 15.83 C ATOM 831 O ASP A 52 1.965 7.476 -5.497 1.00 17.21 O ATOM 832 CB ASP A 52 -1.084 8.519 -4.529 1.00 21.05 C ATOM 833 CG ASP A 52 -2.192 8.221 -3.596 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.655 7.048 -3.588 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.523 9.128 -2.760 1.00 25.82 O ATOM 0 H ASP A 52 -0.471 9.556 -2.505 1.00 12.71 H new ATOM 0 HA ASP A 52 0.420 7.102 -3.610 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.096 9.576 -4.793 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.217 7.958 -5.454 1.00 21.05 H new ATOM 840 N GLY A 53 1.786 9.734 -5.157 1.00 15.00 N ATOM 841 CA GLY A 53 2.893 10.086 -6.076 1.00 11.77 C ATOM 842 C GLY A 53 4.251 10.232 -5.343 1.00 11.10 C ATOM 843 O GLY A 53 4.894 11.274 -5.299 1.00 11.25 O ATOM 0 H GLY A 53 1.340 10.542 -4.722 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.980 9.319 -6.845 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.656 11.021 -6.584 1.00 11.77 H new ATOM 847 N ARG A 54 4.639 9.130 -4.732 1.00 8.53 N ATOM 848 CA ARG A 54 5.850 9.063 -3.984 1.00 9.05 C ATOM 849 C ARG A 54 6.233 7.593 -4.115 1.00 8.96 C ATOM 850 O ARG A 54 5.445 6.839 -4.671 1.00 11.60 O ATOM 851 CB ARG A 54 5.623 9.226 -2.450 1.00 7.97 C ATOM 852 CG ARG A 54 4.841 10.418 -1.975 1.00 9.62 C ATOM 853 CD ARG A 54 5.641 11.772 -1.989 1.00 12.20 C ATOM 854 NE ARG A 54 4.814 12.803 -1.377 1.00 18.23 N ATOM 855 CZ ARG A 54 4.842 13.075 -0.048 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.857 12.705 0.770 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.953 13.940 0.462 1.00 23.38 N ATOM 0 H ARG A 54 4.110 8.258 -4.749 1.00 8.53 H new ATOM 0 HA ARG A 54 6.547 9.824 -4.333 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.117 8.330 -2.090 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.601 9.255 -1.969 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.955 10.528 -2.600 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.493 10.227 -0.960 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.578 11.664 -1.443 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.898 12.050 -3.011 1.00 12.20 H new ATOM 0 HE ARG A 54 4.187 13.344 -1.973 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.655 12.194 0.393 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.823 12.938 1.762 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.267 14.385 -0.148 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.963 14.153 1.459 1.00 23.38 H new ATOM 871 N THR A 55 7.393 7.149 -3.558 1.00 9.05 N ATOM 872 CA THR A 55 7.848 5.774 -3.712 1.00 9.03 C ATOM 873 C THR A 55 8.134 5.091 -2.379 1.00 8.15 C ATOM 874 O THR A 55 8.288 5.614 -1.277 1.00 5.91 O ATOM 875 CB THR A 55 9.121 5.681 -4.630 1.00 11.15 C ATOM 876 OG1 THR A 55 10.278 6.367 -4.158 1.00 11.95 O ATOM 877 CG2 THR A 55 8.828 6.255 -6.105 1.00 11.71 C ATOM 0 H THR A 55 8.016 7.736 -3.003 1.00 9.05 H new ATOM 0 HA THR A 55 7.022 5.247 -4.190 1.00 9.03 H new ATOM 0 HB THR A 55 9.336 4.612 -4.628 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.031 7.275 -3.884 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.730 6.175 -6.712 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.027 5.678 -6.567 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.529 7.301 -6.036 1.00 11.71 H new ATOM 885 N LEU A 56 8.276 3.738 -2.415 1.00 6.91 N ATOM 886 CA LEU A 56 8.619 2.909 -1.219 1.00 8.29 C ATOM 887 C LEU A 56 9.911 3.201 -0.543 1.00 8.05 C ATOM 888 O LEU A 56 10.116 3.158 0.654 1.00 10.17 O ATOM 889 CB LEU A 56 8.800 1.436 -1.705 1.00 6.60 C ATOM 890 CG LEU A 56 7.496 0.611 -1.781 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.988 0.549 -3.211 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.774 -0.782 -1.225 1.00 8.64 C ATOM 0 H LEU A 56 8.157 3.191 -3.268 1.00 6.91 H new ATOM 0 HA LEU A 56 7.811 3.115 -0.517 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.263 1.449 -2.692 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.494 0.930 -1.034 1.00 6.60 H new ATOM 0 HG LEU A 56 6.716 1.085 -1.186 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.069 -0.036 -3.246 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.789 1.559 -3.571 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.741 0.080 -3.845 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.864 -1.380 -1.270 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.553 -1.261 -1.818 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.104 -0.701 -0.189 1.00 8.64 H new ATOM 904 N SER A 57 10.987 3.596 -1.407 1.00 8.92 N ATOM 905 CA SER A 57 12.256 4.059 -0.882 1.00 9.00 C ATOM 906 C SER A 57 12.070 5.396 -0.058 1.00 9.44 C ATOM 907 O SER A 57 12.580 5.526 1.062 1.00 10.91 O ATOM 908 CB SER A 57 13.253 4.354 -1.996 1.00 10.32 C ATOM 909 OG SER A 57 14.544 4.435 -1.406 1.00 13.59 O ATOM 0 H SER A 57 10.934 3.579 -2.425 1.00 8.92 H new ATOM 0 HA SER A 57 12.633 3.259 -0.245 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.226 3.569 -2.752 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.002 5.289 -2.497 1.00 10.32 H new ATOM 0 HG SER A 57 15.210 4.623 -2.100 1.00 13.59 H new ATOM 915 N ASP A 58 11.125 6.297 -0.416 1.00 9.11 N ATOM 916 CA ASP A 58 10.877 7.569 0.284 1.00 7.91 C ATOM 917 C ASP A 58 10.337 7.335 1.681 1.00 9.12 C ATOM 918 O ASP A 58 10.607 8.155 2.566 1.00 8.61 O ATOM 919 CB ASP A 58 9.881 8.481 -0.522 1.00 8.41 C ATOM 920 CG ASP A 58 10.341 8.844 -1.884 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.469 9.410 -1.937 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.602 8.544 -2.874 1.00 11.70 O ATOM 0 H ASP A 58 10.506 6.153 -1.214 1.00 9.11 H new ATOM 0 HA ASP A 58 11.836 8.081 0.361 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.922 7.968 -0.601 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.707 9.396 0.044 1.00 8.41 H new ATOM 927 N TYR A 59 9.572 6.271 1.892 1.00 7.97 N ATOM 928 CA TYR A 59 8.999 5.950 3.176 1.00 8.45 C ATOM 929 C TYR A 59 9.783 4.882 3.979 1.00 10.98 C ATOM 930 O TYR A 59 9.329 4.457 5.056 1.00 12.95 O ATOM 931 CB TYR A 59 7.541 5.413 2.951 1.00 7.94 C ATOM 932 CG TYR A 59 6.646 6.602 2.561 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.453 7.647 3.436 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.076 6.794 1.268 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.583 8.729 3.192 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.181 7.780 1.032 1.00 6.52 C ATOM 937 CZ TYR A 59 4.924 8.721 1.981 1.00 6.76 C ATOM 938 OH TYR A 59 4.028 9.739 1.680 1.00 7.63 O ATOM 0 H TYR A 59 9.334 5.602 1.160 1.00 7.97 H new ATOM 0 HA TYR A 59 9.028 6.869 3.761 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.531 4.656 2.166 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.167 4.937 3.857 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.002 7.637 4.366 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.365 6.138 0.460 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.441 9.520 3.913 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.666 7.821 0.083 1.00 6.52 H new ATOM 0 HH TYR A 59 4.503 10.471 1.234 1.00 7.63 H new ATOM 948 N ASN A 60 10.947 4.468 3.468 1.00 12.38 N ATOM 949 CA ASN A 60 11.882 3.672 4.149 1.00 13.94 C ATOM 950 C ASN A 60 11.401 2.289 4.340 1.00 14.16 C ATOM 951 O ASN A 60 11.503 1.622 5.352 1.00 14.26 O ATOM 952 CB ASN A 60 12.446 4.329 5.376 1.00 19.23 C ATOM 953 CG ASN A 60 12.897 5.750 5.208 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.303 6.734 5.687 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.994 5.888 4.363 1.00 24.09 N ATOM 0 H ASN A 60 11.244 4.709 2.522 1.00 12.38 H new ATOM 0 HA ASN A 60 12.751 3.576 3.498 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.691 4.298 6.161 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.293 3.738 5.725 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.335 6.817 4.118 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.457 5.060 3.989 1.00 24.09 H new ATOM 962 N ILE A 61 10.755 1.736 3.277 1.00 11.08 N ATOM 963 CA ILE A 61 10.251 0.355 3.263 1.00 11.78 C ATOM 964 C ILE A 61 11.239 -0.578 2.790 1.00 13.74 C ATOM 965 O ILE A 61 11.555 -0.659 1.613 1.00 14.60 O ATOM 966 CB ILE A 61 8.908 0.235 2.522 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.958 1.339 3.073 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.327 -1.160 2.610 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.588 1.350 2.378 1.00 11.42 C ATOM 0 H ILE A 61 10.575 2.244 2.411 1.00 11.08 H new ATOM 0 HA ILE A 61 10.049 0.080 4.298 1.00 11.78 H new ATOM 0 HB ILE A 61 9.053 0.396 1.454 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.816 1.188 4.143 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.431 2.313 2.949 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.380 -1.194 2.072 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.022 -1.872 2.166 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.160 -1.419 3.655 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.970 2.140 2.804 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.723 1.530 1.311 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.098 0.387 2.524 1.00 11.42 H new ATOM 981 N GLN A 62 11.795 -1.370 3.729 1.00 13.97 N ATOM 982 CA GLN A 62 12.846 -2.369 3.441 1.00 15.52 C ATOM 983 C GLN A 62 12.096 -3.704 3.117 1.00 13.94 C ATOM 984 O GLN A 62 10.874 -3.800 3.142 1.00 12.15 O ATOM 985 CB GLN A 62 13.790 -2.516 4.719 1.00 19.53 C ATOM 986 CG GLN A 62 14.658 -1.219 5.029 1.00 26.38 C ATOM 987 CD GLN A 62 15.405 -1.294 6.353 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.540 -0.299 7.102 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.871 -2.503 6.721 1.00 32.71 N ATOM 0 H GLN A 62 11.527 -1.335 4.713 1.00 13.97 H new ATOM 0 HA GLN A 62 13.482 -2.083 2.603 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.175 -2.747 5.589 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.460 -3.363 4.569 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.376 -1.070 4.223 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.004 -0.347 5.038 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.754 -3.305 6.101 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.341 -2.617 7.619 1.00 32.71 H new ATOM 998 N LYS A 63 12.799 -4.737 2.722 1.00 11.73 N ATOM 999 CA LYS A 63 12.269 -6.029 2.297 1.00 11.97 C ATOM 1000 C LYS A 63 11.478 -6.674 3.434 1.00 10.41 C ATOM 1001 O LYS A 63 11.886 -6.691 4.557 1.00 9.59 O ATOM 1002 CB LYS A 63 13.411 -6.938 1.843 1.00 13.73 C ATOM 1003 CG LYS A 63 14.463 -7.230 2.990 1.00 16.98 C ATOM 1004 CD LYS A 63 15.569 -8.225 2.548 1.00 20.19 C ATOM 1005 CE LYS A 63 15.139 -9.726 2.530 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.823 -10.200 3.909 1.00 25.97 N ATOM 0 H LYS A 63 13.818 -4.706 2.683 1.00 11.73 H new ATOM 0 HA LYS A 63 11.593 -5.879 1.455 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.997 -7.882 1.488 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.922 -6.476 0.998 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.926 -6.293 3.300 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.944 -7.633 3.860 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.908 -7.948 1.550 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.423 -8.116 3.216 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.267 -9.852 1.888 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.938 -10.333 2.105 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.419 -11.021 4.139 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.008 -9.436 4.590 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.821 -10.474 3.961 1.00 25.97 H new ATOM 1020 N GLU A 64 10.287 -7.248 3.098 1.00 10.04 N ATOM 1021 CA GLU A 64 9.465 -7.994 3.989 1.00 10.94 C ATOM 1022 C GLU A 64 8.686 -7.195 5.017 1.00 9.74 C ATOM 1023 O GLU A 64 8.163 -7.750 5.974 1.00 9.42 O ATOM 1024 CB GLU A 64 10.154 -9.303 4.598 1.00 18.31 C ATOM 1025 CG GLU A 64 10.845 -10.077 3.490 1.00 24.16 C ATOM 1026 CD GLU A 64 11.415 -11.380 4.058 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.567 -12.308 4.271 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.631 -11.551 4.235 1.00 31.72 O ATOM 0 H GLU A 64 9.894 -7.179 2.159 1.00 10.04 H new ATOM 0 HA GLU A 64 8.691 -8.358 3.313 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.876 -9.023 5.365 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.404 -9.930 5.080 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.139 -10.295 2.689 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.644 -9.476 3.056 1.00 24.16 H new ATOM 1035 N SER A 65 8.580 -5.891 4.815 1.00 6.85 N ATOM 1036 CA SER A 65 7.866 -5.009 5.713 1.00 6.90 C ATOM 1037 C SER A 65 6.360 -5.028 5.632 1.00 4.72 C ATOM 1038 O SER A 65 5.773 -5.295 4.556 1.00 3.91 O ATOM 1039 CB SER A 65 8.294 -3.539 5.620 1.00 7.28 C ATOM 1040 OG SER A 65 9.694 -3.355 5.845 1.00 10.56 O ATOM 0 H SER A 65 8.993 -5.414 4.013 1.00 6.85 H new ATOM 0 HA SER A 65 8.160 -5.446 6.668 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.035 -3.151 4.635 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.733 -2.955 6.350 1.00 7.28 H new ATOM 0 HG SER A 65 10.180 -3.484 5.004 1.00 10.56 H new ATOM 1046 N THR A 66 5.689 -4.812 6.757 1.00 4.48 N ATOM 1047 CA THR A 66 4.220 -4.975 6.824 1.00 3.80 C ATOM 1048 C THR A 66 3.533 -3.619 6.792 1.00 4.60 C ATOM 1049 O THR A 66 3.532 -2.790 7.707 1.00 5.33 O ATOM 1050 CB THR A 66 3.763 -5.749 8.047 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.299 -7.087 8.034 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.234 -5.802 8.163 1.00 3.40 C ATOM 0 H THR A 66 6.123 -4.526 7.635 1.00 4.48 H new ATOM 0 HA THR A 66 3.936 -5.558 5.948 1.00 3.80 H new ATOM 0 HB THR A 66 4.144 -5.216 8.918 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.995 -7.569 8.831 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.956 -6.366 9.053 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.839 -4.789 8.238 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.819 -6.289 7.281 1.00 3.40 H new ATOM 1060 N LEU A 67 2.846 -3.348 5.693 1.00 4.17 N ATOM 1061 CA LEU A 67 1.888 -2.261 5.436 1.00 3.85 C ATOM 1062 C LEU A 67 0.494 -2.545 5.934 1.00 3.80 C ATOM 1063 O LEU A 67 -0.016 -3.668 5.963 1.00 5.54 O ATOM 1064 CB LEU A 67 1.776 -1.949 3.924 1.00 7.18 C ATOM 1065 CG LEU A 67 2.979 -1.221 3.351 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.294 -1.993 3.503 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.717 -0.792 1.861 1.00 11.66 C ATOM 0 H LEU A 67 2.950 -3.940 4.869 1.00 4.17 H new ATOM 0 HA LEU A 67 2.293 -1.413 5.988 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.637 -2.884 3.380 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.884 -1.346 3.753 1.00 7.18 H new ATOM 0 HG LEU A 67 3.107 -0.319 3.949 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.109 -1.412 3.071 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.493 -2.168 4.560 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.216 -2.949 2.986 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.593 -0.272 1.473 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.523 -1.678 1.256 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.854 -0.128 1.820 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.237 -1.512 6.360 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.634 -1.674 6.808 1.00 4.17 C ATOM 1081 C HIS A 68 -2.626 -0.976 5.831 1.00 5.32 C ATOM 1082 O HIS A 68 -2.404 0.140 5.333 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.782 -0.922 8.144 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.635 -1.188 9.049 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.350 -2.445 9.559 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.294 -0.290 9.474 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.735 -2.300 10.308 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.179 -1.033 10.266 1.00 16.30 N ATOM 0 H HIS A 68 0.109 -0.554 6.406 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.852 -2.740 6.873 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.856 0.149 7.954 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.709 -1.224 8.632 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.339 0.765 9.250 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.199 -3.094 10.875 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.014 -0.675 10.729 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.681 -1.628 5.390 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.681 -1.036 4.479 1.00 3.97 C ATOM 1098 C LEU A 69 -5.912 -0.694 5.338 1.00 5.07 C ATOM 1099 O LEU A 69 -6.359 -1.436 6.230 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.051 -2.192 3.503 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.924 -1.685 2.254 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.570 -2.436 0.996 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.375 -1.898 2.629 1.00 9.96 C ATOM 0 H LEU A 69 -3.885 -2.594 5.647 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.334 -0.148 3.950 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.138 -2.661 3.137 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.607 -2.957 4.045 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.726 -0.634 2.044 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.179 -2.069 0.170 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.516 -2.284 0.766 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.759 -3.499 1.142 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -8.015 -1.568 1.810 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.549 -2.957 2.822 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.607 -1.323 3.525 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.342 0.587 5.180 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.520 1.089 5.904 1.00 6.26 C ATOM 1117 C VAL A 70 -8.408 1.516 4.787 1.00 9.22 C ATOM 1118 O VAL A 70 -7.950 2.119 3.818 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.261 2.206 6.986 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.818 1.451 8.262 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.063 3.142 6.559 1.00 8.54 C ATOM 0 H VAL A 70 -5.895 1.271 4.569 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.950 0.326 6.553 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.153 2.818 7.120 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.620 2.168 9.059 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.609 0.770 8.575 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.912 0.883 8.052 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.906 3.903 7.323 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.157 2.546 6.449 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.298 3.624 5.610 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.762 1.345 4.930 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.660 1.874 3.940 1.00 16.06 C ATOM 1133 C LEU A 71 -10.738 3.396 3.874 1.00 18.09 C ATOM 1134 O LEU A 71 -10.811 4.047 4.923 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.009 1.224 3.962 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.150 -0.226 3.711 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.584 -0.821 3.937 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.731 -0.583 2.254 1.00 19.57 C ATOM 0 H LEU A 71 -10.209 0.857 5.706 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.192 1.594 2.996 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.446 1.425 4.940 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.626 1.739 3.225 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.491 -0.672 4.456 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.572 -1.890 3.724 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.886 -0.660 4.972 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.292 -0.327 3.272 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.844 -1.655 2.095 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.365 -0.043 1.551 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.690 -0.300 2.095 1.00 19.57 H new