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 55 THR OG1 : rot 131:sc= 1 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.87 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 146:sc= 0.51 (180deg=-0.21) USER MOD Set 2.2: A 12 THR OG1 : rot 130:sc= 0.826 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.352 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.27 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -25:sc= 0.0894 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.17) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.81 (180deg=0.931) USER MOD Single : A 29 LYS NZ :NH3+ 138:sc= 0.734 (180deg=0.0594) USER MOD Single : A 31 GLN : amide:sc= -0.254 K(o=-0.25,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= 1.23 (180deg=-0.234) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 41 GLN : amide:sc= 0.0861 K(o=0.086,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.399 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 56:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.666 -6.904 -4.772 1.00 9.67 N ATOM 2 CA MET A 1 11.530 -7.239 -3.338 1.00 10.38 C ATOM 3 C MET A 1 10.134 -7.514 -2.834 1.00 9.62 C ATOM 4 O MET A 1 9.177 -6.832 -3.288 1.00 9.62 O ATOM 5 CB MET A 1 12.080 -6.038 -2.482 1.00 13.77 C ATOM 6 CG MET A 1 11.257 -4.707 -2.366 1.00 16.29 C ATOM 7 SD MET A 1 12.242 -3.223 -1.668 1.00 17.17 S ATOM 8 CE MET A 1 10.636 -2.354 -1.590 1.00 16.11 C ATOM 0 H1 MET A 1 12.571 -6.417 -4.930 1.00 9.67 H new ATOM 0 H2 MET A 1 11.639 -7.777 -5.337 1.00 9.67 H new ATOM 0 H3 MET A 1 10.884 -6.282 -5.059 1.00 9.67 H new ATOM 0 HA MET A 1 12.087 -8.170 -3.232 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.238 -6.409 -1.469 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.060 -5.778 -2.883 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.877 -4.443 -3.353 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.391 -4.885 -1.728 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.597 -1.742 -0.689 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.525 -1.716 -2.467 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.828 -3.085 -1.568 1.00 16.11 H new ATOM 20 N GLN A 2 9.923 -8.538 -2.010 1.00 9.27 N ATOM 21 CA GLN A 2 8.691 -8.812 -1.350 1.00 9.07 C ATOM 22 C GLN A 2 8.298 -7.848 -0.291 1.00 8.72 C ATOM 23 O GLN A 2 9.247 -7.322 0.258 1.00 8.22 O ATOM 24 CB GLN A 2 8.710 -10.267 -0.744 1.00 14.46 C ATOM 25 CG GLN A 2 7.382 -10.884 -0.270 1.00 17.01 C ATOM 26 CD GLN A 2 7.681 -12.296 0.218 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.395 -12.567 1.171 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.254 -13.402 -0.463 1.00 19.49 N ATOM 0 H GLN A 2 10.651 -9.217 -1.788 1.00 9.27 H new ATOM 0 HA GLN A 2 7.937 -8.712 -2.131 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.135 -10.933 -1.495 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.395 -10.264 0.104 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.946 -10.286 0.530 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.657 -10.905 -1.084 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.651 -13.297 -1.279 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.539 -14.332 -0.155 1.00 19.49 H new ATOM 37 N ILE A 3 7.040 -7.562 -0.009 1.00 5.87 N ATOM 38 CA ILE A 3 6.429 -6.714 1.034 1.00 5.07 C ATOM 39 C ILE A 3 5.214 -7.470 1.508 1.00 4.01 C ATOM 40 O ILE A 3 4.740 -8.432 0.885 1.00 4.61 O ATOM 41 CB ILE A 3 6.107 -5.283 0.605 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.500 -5.174 -0.738 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.302 -4.385 0.813 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.627 -3.962 -0.893 1.00 10.83 C ATOM 0 H ILE A 3 6.306 -7.974 -0.584 1.00 5.87 H new ATOM 0 HA ILE A 3 7.148 -6.548 1.836 1.00 5.07 H new ATOM 0 HB ILE A 3 5.314 -4.925 1.262 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.292 -5.142 -1.487 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.909 -6.068 -0.937 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.053 -3.370 0.502 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.577 -4.384 1.868 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.140 -4.751 0.220 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.211 -3.939 -1.900 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.815 -4.003 -0.166 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.220 -3.063 -0.725 1.00 10.83 H new ATOM 56 N PHE A 4 4.649 -7.092 2.652 1.00 4.55 N ATOM 57 CA PHE A 4 3.445 -7.593 3.207 1.00 4.68 C ATOM 58 C PHE A 4 2.496 -6.444 3.293 1.00 5.30 C ATOM 59 O PHE A 4 2.893 -5.349 3.630 1.00 5.58 O ATOM 60 CB PHE A 4 3.621 -8.201 4.645 1.00 4.83 C ATOM 61 CG PHE A 4 4.663 -9.265 4.601 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.437 -10.478 3.887 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.914 -9.124 5.262 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.391 -11.520 3.950 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.886 -10.101 5.213 1.00 10.61 C ATOM 66 CZ PHE A 4 6.581 -11.357 4.684 1.00 8.90 C ATOM 0 H PHE A 4 5.071 -6.373 3.240 1.00 4.55 H new ATOM 0 HA PHE A 4 3.087 -8.401 2.569 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.909 -7.421 5.350 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.676 -8.615 4.996 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.539 -10.601 3.299 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.110 -8.221 5.821 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.205 -12.448 3.431 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.880 -9.896 5.582 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.249 -12.192 4.836 1.00 8.90 H new ATOM 76 N VAL A 5 1.173 -6.591 2.961 1.00 4.44 N ATOM 77 CA VAL A 5 0.258 -5.492 3.159 1.00 3.87 C ATOM 78 C VAL A 5 -0.948 -6.032 3.936 1.00 4.93 C ATOM 79 O VAL A 5 -1.469 -7.090 3.559 1.00 6.84 O ATOM 80 CB VAL A 5 -0.227 -4.843 1.849 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.527 -4.051 2.067 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.816 -3.901 1.216 1.00 9.13 C ATOM 0 H VAL A 5 0.759 -7.438 2.572 1.00 4.44 H new ATOM 0 HA VAL A 5 0.787 -4.709 3.703 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.399 -5.673 1.164 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.844 -3.605 1.124 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.305 -4.722 2.431 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.355 -3.264 2.801 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.412 -3.477 0.297 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.051 -3.097 1.914 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.723 -4.462 0.989 1.00 9.13 H new ATOM 92 N LYS A 6 -1.303 -5.495 5.076 1.00 6.04 N ATOM 93 CA LYS A 6 -2.353 -6.007 5.881 1.00 6.12 C ATOM 94 C LYS A 6 -3.685 -5.369 5.628 1.00 6.57 C ATOM 95 O LYS A 6 -3.882 -4.118 5.730 1.00 5.76 O ATOM 96 CB LYS A 6 -2.101 -5.877 7.373 1.00 7.45 C ATOM 97 CG LYS A 6 -0.857 -6.698 7.922 1.00 11.12 C ATOM 98 CD LYS A 6 -0.845 -6.747 9.427 1.00 14.54 C ATOM 99 CE LYS A 6 0.115 -7.846 10.039 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.422 -9.189 9.703 1.00 20.55 N ATOM 0 H LYS A 6 -0.851 -4.669 5.469 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.374 -7.056 5.585 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.954 -4.823 7.610 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.995 -6.202 7.906 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.886 -7.713 7.525 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.067 -6.242 7.565 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.547 -5.770 9.808 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.860 -6.931 9.780 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.123 -7.732 9.640 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.185 -7.727 11.120 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.366 -9.851 9.556 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.019 -9.529 10.484 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.990 -9.128 8.834 1.00 20.55 H new ATOM 114 N THR A 7 -4.592 -6.239 5.114 1.00 7.41 N ATOM 115 CA THR A 7 -5.983 -5.981 4.999 1.00 7.48 C ATOM 116 C THR A 7 -6.618 -6.302 6.399 1.00 8.75 C ATOM 117 O THR A 7 -5.983 -6.948 7.229 1.00 8.58 O ATOM 118 CB THR A 7 -6.696 -6.781 3.945 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.912 -8.167 4.235 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.861 -6.541 2.681 1.00 9.17 C ATOM 0 H THR A 7 -4.328 -7.161 4.767 1.00 7.41 H new ATOM 0 HA THR A 7 -6.098 -4.941 4.692 1.00 7.48 H new ATOM 0 HB THR A 7 -7.730 -6.449 3.850 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.241 -8.475 4.880 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.301 -7.086 1.846 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.846 -5.476 2.452 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.842 -6.891 2.846 1.00 9.17 H new ATOM 128 N LEU A 8 -7.836 -5.824 6.690 1.00 9.84 N ATOM 129 CA LEU A 8 -8.385 -6.014 7.982 1.00 14.15 C ATOM 130 C LEU A 8 -9.312 -7.246 8.106 1.00 17.37 C ATOM 131 O LEU A 8 -9.563 -7.821 9.150 1.00 17.01 O ATOM 132 CB LEU A 8 -9.235 -4.762 8.473 1.00 16.63 C ATOM 133 CG LEU A 8 -8.480 -3.491 8.830 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.383 -2.271 8.764 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.850 -3.496 10.239 1.00 18.59 C ATOM 0 H LEU A 8 -8.431 -5.313 6.038 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.501 -6.162 8.602 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.953 -4.517 7.691 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.809 -5.068 9.348 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.682 -3.449 8.088 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.811 -1.381 9.025 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.778 -2.165 7.754 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.208 -2.391 9.466 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.332 -2.552 10.409 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.633 -3.620 10.987 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.140 -4.319 10.317 1.00 18.59 H new ATOM 147 N THR A 9 -9.764 -7.810 6.997 1.00 18.33 N ATOM 148 CA THR A 9 -10.790 -8.893 6.953 1.00 19.24 C ATOM 149 C THR A 9 -10.241 -10.280 7.150 1.00 19.48 C ATOM 150 O THR A 9 -10.650 -11.215 6.453 1.00 23.14 O ATOM 151 CB THR A 9 -11.760 -8.703 5.779 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.094 -8.410 4.540 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.595 -7.446 5.999 1.00 19.70 C ATOM 0 H THR A 9 -9.434 -7.537 6.071 1.00 18.33 H new ATOM 0 HA THR A 9 -11.409 -8.786 7.844 1.00 19.24 H new ATOM 0 HB THR A 9 -12.324 -9.634 5.731 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.759 -8.301 3.829 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.282 -7.315 5.163 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.163 -7.544 6.924 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.937 -6.580 6.067 1.00 19.70 H new ATOM 161 N GLY A 10 -9.331 -10.522 8.071 1.00 19.43 N ATOM 162 CA GLY A 10 -8.829 -11.941 8.279 1.00 18.74 C ATOM 163 C GLY A 10 -7.875 -12.389 7.188 1.00 17.62 C ATOM 164 O GLY A 10 -8.130 -13.476 6.638 1.00 19.74 O ATOM 0 H GLY A 10 -8.916 -9.818 8.681 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.327 -12.007 9.244 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.680 -12.622 8.315 1.00 18.74 H new ATOM 168 N LYS A 11 -6.926 -11.481 6.814 1.00 13.56 N ATOM 169 CA LYS A 11 -5.851 -11.813 5.868 1.00 11.91 C ATOM 170 C LYS A 11 -4.812 -10.760 5.926 1.00 10.18 C ATOM 171 O LYS A 11 -5.027 -9.669 6.332 1.00 9.10 O ATOM 172 CB LYS A 11 -6.430 -11.952 4.459 1.00 13.43 C ATOM 173 CG LYS A 11 -5.549 -12.512 3.363 1.00 16.69 C ATOM 174 CD LYS A 11 -6.444 -12.905 2.164 1.00 17.92 C ATOM 175 CE LYS A 11 -6.879 -11.615 1.467 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.430 -12.043 0.192 1.00 21.93 N ATOM 0 H LYS A 11 -6.895 -10.522 7.159 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.392 -12.765 6.136 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.316 -12.584 4.526 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.766 -10.965 4.141 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.809 -11.772 3.057 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.000 -13.381 3.726 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.898 -13.548 1.473 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.313 -13.468 2.504 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.622 -11.079 2.058 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.036 -10.939 1.325 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.797 -11.217 -0.323 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.685 -12.500 -0.372 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.203 -12.719 0.357 1.00 21.93 H new ATOM 190 N THR A 12 -3.560 -11.142 5.542 1.00 9.63 N ATOM 191 CA THR A 12 -2.446 -10.312 5.167 1.00 9.85 C ATOM 192 C THR A 12 -2.063 -10.745 3.767 1.00 11.66 C ATOM 193 O THR A 12 -1.998 -11.904 3.458 1.00 12.33 O ATOM 194 CB THR A 12 -1.245 -10.477 6.164 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.745 -10.163 7.483 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.220 -9.447 5.769 1.00 9.63 C ATOM 0 H THR A 12 -3.315 -12.131 5.493 1.00 9.63 H new ATOM 0 HA THR A 12 -2.712 -9.255 5.198 1.00 9.85 H new ATOM 0 HB THR A 12 -0.816 -11.479 6.149 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.495 -10.877 8.106 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.641 -9.518 6.433 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.098 -9.626 4.742 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.657 -8.451 5.846 1.00 9.63 H new ATOM 204 N ILE A 13 -1.796 -9.788 2.867 1.00 10.42 N ATOM 205 CA ILE A 13 -1.477 -10.085 1.497 1.00 11.84 C ATOM 206 C ILE A 13 -0.002 -10.035 1.318 1.00 10.55 C ATOM 207 O ILE A 13 0.687 -9.370 2.091 1.00 11.92 O ATOM 208 CB ILE A 13 -2.162 -9.254 0.411 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.092 -7.771 0.630 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.621 -9.746 0.390 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.663 -7.004 -0.636 1.00 16.46 C ATOM 0 H ILE A 13 -1.800 -8.792 3.086 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.887 -11.083 1.341 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.650 -9.396 -0.541 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.664 -7.499 1.517 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.060 -7.471 0.811 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.180 -9.195 -0.367 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.643 -10.810 0.155 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.075 -9.581 1.367 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.607 -5.929 -0.466 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.073 -7.263 -1.515 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.702 -7.292 -0.798 1.00 16.46 H new ATOM 223 N THR A 14 0.598 -10.819 0.407 1.00 9.39 N ATOM 224 CA THR A 14 2.048 -10.783 0.178 1.00 9.63 C ATOM 225 C THR A 14 2.263 -10.394 -1.206 1.00 11.20 C ATOM 226 O THR A 14 1.712 -11.006 -2.120 1.00 11.63 O ATOM 227 CB THR A 14 2.612 -12.188 0.227 1.00 10.38 C ATOM 228 OG1 THR A 14 2.279 -12.815 1.512 1.00 16.30 O ATOM 229 CG2 THR A 14 4.172 -12.128 0.197 1.00 11.66 C ATOM 0 H THR A 14 0.099 -11.485 -0.182 1.00 9.39 H new ATOM 0 HA THR A 14 2.500 -10.121 0.917 1.00 9.63 H new ATOM 0 HB THR A 14 2.202 -12.741 -0.618 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.645 -13.724 1.537 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.576 -13.140 0.232 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.500 -11.638 -0.720 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.531 -11.564 1.058 1.00 11.66 H new ATOM 237 N LEU A 15 3.105 -9.370 -1.438 1.00 8.29 N ATOM 238 CA LEU A 15 3.227 -8.614 -2.681 1.00 9.03 C ATOM 239 C LEU A 15 4.691 -8.531 -3.005 1.00 8.59 C ATOM 240 O LEU A 15 5.511 -8.730 -2.154 1.00 7.79 O ATOM 241 CB LEU A 15 2.590 -7.210 -2.579 1.00 11.08 C ATOM 242 CG LEU A 15 1.148 -7.100 -2.098 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.798 -5.644 -1.874 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.254 -7.860 -3.083 1.00 15.27 C ATOM 0 H LEU A 15 3.749 -9.037 -0.721 1.00 8.29 H new ATOM 0 HA LEU A 15 2.683 -9.121 -3.478 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.209 -6.613 -1.910 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.647 -6.747 -3.564 1.00 11.08 H new ATOM 0 HG LEU A 15 0.991 -7.571 -1.128 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.233 -5.566 -1.530 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.464 -5.221 -1.122 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.911 -5.095 -2.809 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.784 -7.794 -2.757 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.351 -7.421 -4.076 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.558 -8.906 -3.117 1.00 15.27 H new ATOM 256 N GLU A 16 4.930 -8.379 -4.317 1.00 11.04 N ATOM 257 CA GLU A 16 6.268 -8.075 -4.868 1.00 11.50 C ATOM 258 C GLU A 16 6.296 -6.718 -5.567 1.00 10.13 C ATOM 259 O GLU A 16 5.430 -6.417 -6.387 1.00 9.83 O ATOM 260 CB GLU A 16 6.643 -9.080 -5.949 1.00 17.22 C ATOM 261 CG GLU A 16 6.841 -10.547 -5.434 1.00 23.33 C ATOM 262 CD GLU A 16 7.800 -11.293 -6.299 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.821 -10.734 -6.733 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.552 -12.448 -6.650 1.00 28.86 O ATOM 0 H GLU A 16 4.204 -8.463 -5.029 1.00 11.04 H new ATOM 0 HA GLU A 16 6.952 -8.100 -4.019 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.866 -9.079 -6.713 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.564 -8.750 -6.430 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.209 -10.529 -4.408 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.881 -11.064 -5.419 1.00 23.33 H new ATOM 271 N VAL A 17 7.275 -5.871 -5.245 1.00 8.99 N ATOM 272 CA VAL A 17 7.479 -4.565 -5.812 1.00 8.85 C ATOM 273 C VAL A 17 8.948 -4.325 -6.065 1.00 8.04 C ATOM 274 O VAL A 17 9.856 -4.971 -5.525 1.00 8.99 O ATOM 275 CB VAL A 17 6.995 -3.454 -4.869 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.419 -3.575 -4.632 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.781 -3.333 -3.542 1.00 10.54 C ATOM 0 H VAL A 17 7.977 -6.104 -4.543 1.00 8.99 H new ATOM 0 HA VAL A 17 6.909 -4.537 -6.741 1.00 8.85 H new ATOM 0 HB VAL A 17 7.207 -2.515 -5.380 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.090 -2.781 -3.962 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.900 -3.483 -5.586 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.191 -4.543 -4.187 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.365 -2.522 -2.945 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.704 -4.268 -2.987 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.829 -3.124 -3.758 1.00 10.54 H new ATOM 287 N GLU A 18 9.300 -3.310 -6.866 1.00 7.29 N ATOM 288 CA GLU A 18 10.623 -2.732 -6.916 1.00 7.08 C ATOM 289 C GLU A 18 10.642 -1.482 -6.006 1.00 6.45 C ATOM 290 O GLU A 18 9.604 -0.859 -5.935 1.00 5.28 O ATOM 291 CB GLU A 18 11.010 -2.310 -8.325 1.00 10.28 C ATOM 292 CG GLU A 18 11.051 -3.520 -9.365 1.00 12.65 C ATOM 293 CD GLU A 18 11.631 -3.123 -10.700 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.890 -2.946 -10.785 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.811 -2.963 -11.646 1.00 18.17 O ATOM 0 H GLU A 18 8.645 -2.866 -7.509 1.00 7.29 H new ATOM 0 HA GLU A 18 11.336 -3.486 -6.583 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.301 -1.561 -8.679 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.990 -1.833 -8.296 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.641 -4.334 -8.945 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.041 -3.902 -9.512 1.00 12.65 H new ATOM 302 N PRO A 19 11.765 -0.911 -5.429 1.00 7.24 N ATOM 303 CA PRO A 19 11.817 0.308 -4.665 1.00 7.07 C ATOM 304 C PRO A 19 11.394 1.512 -5.452 1.00 6.65 C ATOM 305 O PRO A 19 10.924 2.489 -4.906 1.00 6.37 O ATOM 306 CB PRO A 19 13.275 0.425 -4.207 1.00 7.61 C ATOM 307 CG PRO A 19 14.037 -0.456 -5.096 1.00 8.16 C ATOM 308 CD PRO A 19 13.031 -1.582 -5.325 1.00 7.49 C ATOM 0 HA PRO A 19 11.118 0.272 -3.829 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.627 1.454 -4.278 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.385 0.122 -3.166 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.319 0.040 -6.025 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.957 -0.813 -4.633 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.260 -2.142 -6.232 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.037 -2.295 -4.500 1.00 7.49 H new ATOM 316 N SER A 20 11.548 1.502 -6.785 1.00 6.80 N ATOM 317 CA SER A 20 11.214 2.578 -7.583 1.00 6.28 C ATOM 318 C SER A 20 9.758 2.577 -7.998 1.00 8.45 C ATOM 319 O SER A 20 9.243 3.413 -8.735 1.00 7.26 O ATOM 320 CB SER A 20 12.108 2.472 -8.859 1.00 8.57 C ATOM 321 OG SER A 20 11.984 1.165 -9.449 1.00 11.13 O ATOM 0 H SER A 20 11.920 0.705 -7.301 1.00 6.80 H new ATOM 0 HA SER A 20 11.374 3.500 -7.025 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.814 3.234 -9.581 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.149 2.664 -8.599 1.00 8.57 H new ATOM 0 HG SER A 20 12.548 1.112 -10.249 1.00 11.13 H new ATOM 327 N ASP A 21 8.930 1.609 -7.627 1.00 7.50 N ATOM 328 CA ASP A 21 7.488 1.591 -7.823 1.00 7.70 C ATOM 329 C ASP A 21 6.885 2.565 -6.792 1.00 7.08 C ATOM 330 O ASP A 21 7.294 2.690 -5.611 1.00 8.11 O ATOM 331 CB ASP A 21 6.819 0.229 -7.592 1.00 11.00 C ATOM 332 CG ASP A 21 7.322 -0.771 -8.621 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.729 -0.405 -9.735 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.206 -1.991 -8.277 1.00 14.36 O ATOM 0 H ASP A 21 9.266 0.769 -7.155 1.00 7.50 H new ATOM 0 HA ASP A 21 7.309 1.856 -8.865 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.038 -0.129 -6.586 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.736 0.328 -7.666 1.00 11.00 H new ATOM 339 N THR A 22 5.855 3.315 -7.246 1.00 5.37 N ATOM 340 CA THR A 22 5.117 4.265 -6.393 1.00 6.01 C ATOM 341 C THR A 22 4.087 3.551 -5.524 1.00 8.01 C ATOM 342 O THR A 22 3.643 2.453 -5.778 1.00 8.11 O ATOM 343 CB THR A 22 4.416 5.377 -7.123 1.00 8.92 C ATOM 344 OG1 THR A 22 3.629 4.960 -8.227 1.00 10.22 O ATOM 345 CG2 THR A 22 5.493 6.384 -7.622 1.00 9.65 C ATOM 0 H THR A 22 5.517 3.277 -8.207 1.00 5.37 H new ATOM 0 HA THR A 22 5.901 4.721 -5.789 1.00 6.01 H new ATOM 0 HB THR A 22 3.719 5.824 -6.414 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.208 5.741 -8.643 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.008 7.201 -8.156 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.041 6.783 -6.769 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.185 5.874 -8.292 1.00 9.65 H new ATOM 353 N ILE A 23 3.560 4.245 -4.494 1.00 8.32 N ATOM 354 CA ILE A 23 2.426 3.798 -3.675 1.00 9.92 C ATOM 355 C ILE A 23 1.196 3.600 -4.534 1.00 10.01 C ATOM 356 O ILE A 23 0.418 2.678 -4.309 1.00 8.71 O ATOM 357 CB ILE A 23 2.269 4.694 -2.522 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.606 4.743 -1.746 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.923 4.306 -1.767 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.101 3.412 -1.072 1.00 12.30 C ATOM 0 H ILE A 23 3.924 5.153 -4.206 1.00 8.32 H new ATOM 0 HA ILE A 23 2.611 2.813 -3.247 1.00 9.92 H new ATOM 0 HB ILE A 23 2.109 5.744 -2.766 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.382 5.081 -2.433 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.516 5.501 -0.968 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.787 4.960 -0.906 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.079 4.421 -2.447 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.980 3.271 -1.430 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.048 3.592 -0.564 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.360 3.073 -0.348 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.239 2.647 -1.836 1.00 12.30 H new ATOM 372 N GLU A 24 0.942 4.425 -5.581 1.00 9.54 N ATOM 373 CA GLU A 24 -0.132 4.366 -6.544 1.00 11.81 C ATOM 374 C GLU A 24 -0.088 3.042 -7.334 1.00 11.14 C ATOM 375 O GLU A 24 -1.157 2.496 -7.634 1.00 10.62 O ATOM 376 CB GLU A 24 -0.046 5.609 -7.463 1.00 19.24 C ATOM 377 CG GLU A 24 -1.047 5.715 -8.564 1.00 27.76 C ATOM 378 CD GLU A 24 -0.966 7.031 -9.349 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.122 7.161 -10.268 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.771 7.958 -8.965 1.00 34.80 O ATOM 0 H GLU A 24 1.557 5.217 -5.770 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.095 4.383 -6.034 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.136 6.498 -6.838 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.949 5.632 -7.908 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.905 4.882 -9.253 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.048 5.614 -8.144 1.00 27.76 H new ATOM 387 N ASN A 25 1.094 2.585 -7.772 1.00 9.43 N ATOM 388 CA ASN A 25 1.249 1.298 -8.437 1.00 10.96 C ATOM 389 C ASN A 25 0.962 0.162 -7.584 1.00 9.68 C ATOM 390 O ASN A 25 0.366 -0.819 -8.049 1.00 9.33 O ATOM 391 CB ASN A 25 2.724 1.227 -8.920 1.00 16.78 C ATOM 392 CG ASN A 25 2.956 -0.012 -9.895 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.137 -1.160 -9.394 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.943 0.247 -11.175 1.00 24.70 N ATOM 0 H ASN A 25 1.966 3.104 -7.671 1.00 9.43 H new ATOM 0 HA ASN A 25 0.531 1.238 -9.255 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.985 2.151 -9.435 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.387 1.144 -8.059 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.085 -0.505 -11.849 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.790 1.201 -11.501 1.00 24.70 H new ATOM 401 N VAL A 26 1.279 0.277 -6.335 1.00 6.52 N ATOM 402 CA VAL A 26 1.016 -0.719 -5.316 1.00 5.53 C ATOM 403 C VAL A 26 -0.478 -0.914 -5.055 1.00 4.42 C ATOM 404 O VAL A 26 -0.902 -2.049 -5.033 1.00 3.40 O ATOM 405 CB VAL A 26 1.791 -0.360 -4.045 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.285 -1.194 -2.827 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.329 -0.546 -4.320 1.00 8.12 C ATOM 0 H VAL A 26 1.751 1.103 -5.968 1.00 6.52 H new ATOM 0 HA VAL A 26 1.368 -1.685 -5.678 1.00 5.53 H new ATOM 0 HB VAL A 26 1.618 0.683 -3.781 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.852 -0.920 -1.937 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.227 -0.990 -2.660 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.422 -2.256 -3.031 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.892 -0.293 -3.422 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.527 -1.583 -4.593 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.634 0.109 -5.136 1.00 8.12 H new ATOM 417 N LYS A 27 -1.257 0.193 -4.901 1.00 2.64 N ATOM 418 CA LYS A 27 -2.686 0.203 -4.843 1.00 4.14 C ATOM 419 C LYS A 27 -3.394 -0.443 -6.073 1.00 5.58 C ATOM 420 O LYS A 27 -4.458 -1.064 -5.935 1.00 4.11 O ATOM 421 CB LYS A 27 -3.269 1.624 -4.612 1.00 3.97 C ATOM 422 CG LYS A 27 -2.931 2.182 -3.192 1.00 7.45 C ATOM 423 CD LYS A 27 -3.445 3.622 -3.094 1.00 9.02 C ATOM 424 CE LYS A 27 -3.163 4.150 -1.709 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.652 5.494 -1.520 1.00 15.47 N ATOM 0 H LYS A 27 -0.856 1.127 -4.813 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.902 -0.424 -3.978 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.876 2.303 -5.369 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.351 1.595 -4.740 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.393 1.563 -2.423 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.855 2.153 -3.021 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.958 4.248 -3.842 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.515 3.655 -3.299 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.624 3.492 -0.972 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.088 4.129 -1.527 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.102 5.961 -0.771 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.552 6.028 -2.407 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.655 5.463 -1.245 1.00 15.47 H new ATOM 439 N ALA A 28 -2.850 -0.262 -7.316 1.00 6.61 N ATOM 440 CA ALA A 28 -3.353 -0.843 -8.514 1.00 7.74 C ATOM 441 C ALA A 28 -3.007 -2.346 -8.538 1.00 9.17 C ATOM 442 O ALA A 28 -3.725 -3.191 -9.067 1.00 11.45 O ATOM 443 CB ALA A 28 -2.977 -0.015 -9.747 1.00 7.68 C ATOM 0 H ALA A 28 -2.025 0.317 -7.471 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.442 -0.809 -8.542 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.379 -0.491 -10.641 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.392 0.988 -9.652 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.892 0.048 -9.826 1.00 7.68 H new ATOM 449 N LYS A 29 -1.832 -2.741 -7.997 1.00 8.96 N ATOM 450 CA LYS A 29 -1.387 -4.099 -7.907 1.00 7.90 C ATOM 451 C LYS A 29 -2.314 -4.897 -6.906 1.00 6.92 C ATOM 452 O LYS A 29 -2.659 -6.028 -7.107 1.00 6.87 O ATOM 453 CB LYS A 29 0.146 -4.105 -7.581 1.00 10.28 C ATOM 454 CG LYS A 29 0.809 -5.509 -7.282 1.00 14.94 C ATOM 455 CD LYS A 29 2.361 -5.407 -7.356 1.00 19.69 C ATOM 456 CE LYS A 29 2.894 -5.141 -8.793 1.00 22.63 C ATOM 457 NZ LYS A 29 4.357 -5.124 -8.829 1.00 24.98 N ATOM 0 H LYS A 29 -1.163 -2.078 -7.605 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.485 -4.633 -8.852 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.673 -3.653 -8.421 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.312 -3.461 -6.717 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.508 -5.856 -6.294 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.453 -6.246 -8.001 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.697 -4.606 -6.698 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.797 -6.333 -6.980 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.522 -5.911 -9.468 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.509 -4.187 -9.154 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.689 -5.635 -9.672 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.692 -4.140 -8.866 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.731 -5.585 -7.975 1.00 24.98 H new ATOM 471 N ILE A 30 -2.711 -4.167 -5.788 1.00 4.57 N ATOM 472 CA ILE A 30 -3.720 -4.595 -4.805 1.00 5.58 C ATOM 473 C ILE A 30 -5.097 -4.718 -5.422 1.00 7.26 C ATOM 474 O ILE A 30 -5.790 -5.757 -5.276 1.00 9.46 O ATOM 475 CB ILE A 30 -3.699 -3.737 -3.574 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.391 -3.821 -2.824 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.898 -4.009 -2.653 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.226 -2.948 -1.572 1.00 2.00 C ATOM 0 H ILE A 30 -2.313 -3.254 -5.569 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.450 -5.599 -4.477 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.791 -2.710 -3.926 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.240 -4.860 -2.530 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.590 -3.566 -3.518 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.837 -3.364 -1.777 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.824 -3.804 -3.191 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.885 -5.052 -2.337 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.239 -3.114 -1.140 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.331 -1.898 -1.844 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.991 -3.212 -0.841 1.00 2.00 H new ATOM 490 N GLN A 31 -5.454 -3.803 -6.339 1.00 7.06 N ATOM 491 CA GLN A 31 -6.662 -3.837 -7.156 1.00 8.67 C ATOM 492 C GLN A 31 -6.779 -5.160 -7.914 1.00 10.90 C ATOM 493 O GLN A 31 -7.793 -5.850 -7.804 1.00 9.63 O ATOM 494 CB GLN A 31 -6.731 -2.560 -8.051 1.00 9.12 C ATOM 495 CG GLN A 31 -8.094 -2.462 -8.790 1.00 10.76 C ATOM 496 CD GLN A 31 -7.900 -1.386 -9.862 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.837 -0.706 -9.858 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.914 -1.148 -10.687 1.00 14.76 N ATOM 0 H GLN A 31 -4.877 -2.985 -6.534 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.546 -3.807 -6.520 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.584 -1.673 -7.435 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.920 -2.580 -8.779 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.368 -3.417 -9.238 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.895 -2.191 -8.102 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.751 -1.730 -10.647 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.855 -0.384 -11.360 1.00 14.76 H new ATOM 507 N ASP A 32 -5.724 -5.510 -8.762 1.00 10.93 N ATOM 508 CA ASP A 32 -5.606 -6.726 -9.542 1.00 14.01 C ATOM 509 C ASP A 32 -5.735 -7.922 -8.697 1.00 14.04 C ATOM 510 O ASP A 32 -6.521 -8.834 -8.934 1.00 13.39 O ATOM 511 CB ASP A 32 -4.283 -6.811 -10.363 1.00 18.01 C ATOM 512 CG ASP A 32 -4.151 -5.620 -11.241 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.133 -4.904 -11.613 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.990 -5.473 -11.711 1.00 25.17 O ATOM 0 H ASP A 32 -4.922 -4.893 -8.893 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.431 -6.691 -10.254 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.430 -6.871 -9.687 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.277 -7.719 -10.965 1.00 18.01 H new ATOM 519 N LYS A 33 -4.980 -8.019 -7.562 1.00 14.22 N ATOM 520 CA LYS A 33 -4.956 -9.163 -6.707 1.00 14.00 C ATOM 521 C LYS A 33 -6.318 -9.391 -6.018 1.00 12.37 C ATOM 522 O LYS A 33 -6.799 -10.515 -5.940 1.00 12.17 O ATOM 523 CB LYS A 33 -3.879 -8.943 -5.663 1.00 18.62 C ATOM 524 CG LYS A 33 -3.562 -10.285 -5.057 1.00 24.00 C ATOM 525 CD LYS A 33 -2.636 -10.183 -3.874 1.00 27.61 C ATOM 526 CE LYS A 33 -2.323 -11.585 -3.271 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.539 -12.228 -2.757 1.00 30.06 N ATOM 0 H LYS A 33 -4.370 -7.266 -7.242 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.746 -10.051 -7.304 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.989 -8.506 -6.115 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.222 -8.247 -4.898 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.489 -10.768 -4.747 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.108 -10.923 -5.815 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.707 -9.701 -4.178 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.088 -9.550 -3.110 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.869 -12.218 -4.033 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.595 -11.483 -2.466 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.306 -12.783 -1.909 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.240 -11.500 -2.513 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.933 -12.858 -3.485 1.00 30.06 H new ATOM 541 N GLU A 34 -6.971 -8.361 -5.476 1.00 10.11 N ATOM 542 CA GLU A 34 -8.014 -8.488 -4.524 1.00 10.07 C ATOM 543 C GLU A 34 -9.329 -7.922 -4.955 1.00 9.32 C ATOM 544 O GLU A 34 -10.297 -8.327 -4.322 1.00 11.61 O ATOM 545 CB GLU A 34 -7.564 -7.770 -3.271 1.00 14.77 C ATOM 546 CG GLU A 34 -6.278 -8.299 -2.694 1.00 18.75 C ATOM 547 CD GLU A 34 -6.545 -9.719 -2.115 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.579 -9.879 -1.436 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.773 -10.679 -2.442 1.00 21.95 O ATOM 0 H GLU A 34 -6.761 -7.392 -5.714 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.188 -9.554 -4.376 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.442 -6.710 -3.495 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.348 -7.848 -2.518 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.507 -8.342 -3.463 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.911 -7.634 -1.912 1.00 18.75 H new ATOM 556 N GLY A 35 -9.500 -7.166 -6.003 1.00 7.22 N ATOM 557 CA GLY A 35 -10.767 -6.647 -6.390 1.00 6.29 C ATOM 558 C GLY A 35 -11.286 -5.422 -5.635 1.00 6.93 C ATOM 559 O GLY A 35 -12.491 -5.320 -5.426 1.00 7.41 O ATOM 0 H GLY A 35 -8.738 -6.891 -6.623 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.718 -6.394 -7.449 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.503 -7.444 -6.286 1.00 6.29 H new ATOM 563 N ILE A 36 -10.353 -4.617 -5.282 1.00 5.86 N ATOM 564 CA ILE A 36 -10.585 -3.321 -4.634 1.00 6.07 C ATOM 565 C ILE A 36 -10.150 -2.126 -5.432 1.00 6.36 C ATOM 566 O ILE A 36 -8.968 -2.014 -5.729 1.00 6.18 O ATOM 567 CB ILE A 36 -9.788 -3.240 -3.350 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.835 -4.506 -2.494 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.091 -1.936 -2.569 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.857 -4.401 -1.301 1.00 9.49 C ATOM 0 H ILE A 36 -9.365 -4.822 -5.428 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.666 -3.284 -4.496 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.741 -3.184 -3.649 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.849 -4.664 -2.126 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.579 -5.372 -3.104 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.500 -1.915 -1.653 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.836 -1.075 -3.186 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.151 -1.901 -2.317 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.909 -5.313 -0.707 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.841 -4.268 -1.674 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.131 -3.548 -0.680 1.00 9.49 H new ATOM 582 N PRO A 37 -11.008 -1.198 -5.774 1.00 8.65 N ATOM 583 CA PRO A 37 -10.616 0.037 -6.454 1.00 9.18 C ATOM 584 C PRO A 37 -9.619 0.962 -5.742 1.00 9.85 C ATOM 585 O PRO A 37 -9.556 1.078 -4.489 1.00 8.51 O ATOM 586 CB PRO A 37 -11.851 0.893 -6.658 1.00 11.42 C ATOM 587 CG PRO A 37 -12.912 -0.223 -6.546 1.00 9.27 C ATOM 588 CD PRO A 37 -12.420 -1.122 -5.388 1.00 8.33 C ATOM 0 HA PRO A 37 -10.125 -0.330 -7.355 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.964 1.664 -5.896 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.864 1.396 -7.625 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.899 0.189 -6.335 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.994 -0.786 -7.476 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.569 -0.671 -4.407 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.909 -2.096 -5.369 1.00 8.33 H new ATOM 596 N PRO A 38 -8.861 1.817 -6.445 1.00 8.71 N ATOM 597 CA PRO A 38 -7.762 2.446 -5.759 1.00 9.08 C ATOM 598 C PRO A 38 -8.011 3.685 -5.020 1.00 9.28 C ATOM 599 O PRO A 38 -7.057 4.106 -4.354 1.00 6.50 O ATOM 600 CB PRO A 38 -6.674 2.699 -6.791 1.00 10.31 C ATOM 601 CG PRO A 38 -7.438 2.661 -8.127 1.00 10.81 C ATOM 602 CD PRO A 38 -8.557 1.690 -7.852 1.00 12.00 C ATOM 0 HA PRO A 38 -7.497 1.745 -4.968 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.186 3.661 -6.634 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.896 1.937 -6.751 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.817 3.645 -8.403 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.803 2.323 -8.946 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.431 1.920 -8.462 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.257 0.671 -8.096 1.00 12.00 H new ATOM 610 N ASP A 39 -9.187 4.257 -5.163 1.00 11.20 N ATOM 611 CA ASP A 39 -9.634 5.479 -4.523 1.00 14.96 C ATOM 612 C ASP A 39 -10.375 5.204 -3.251 1.00 13.99 C ATOM 613 O ASP A 39 -10.750 6.064 -2.450 1.00 13.75 O ATOM 614 CB ASP A 39 -10.614 6.277 -5.453 1.00 24.16 C ATOM 615 CG ASP A 39 -9.780 6.891 -6.631 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.855 7.680 -6.369 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.129 6.567 -7.769 1.00 35.55 O ATOM 0 H ASP A 39 -9.904 3.856 -5.768 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.732 6.055 -4.318 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.391 5.618 -5.840 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.115 7.065 -4.891 1.00 24.16 H new ATOM 622 N GLN A 40 -10.521 3.890 -2.925 1.00 11.60 N ATOM 623 CA GLN A 40 -10.961 3.429 -1.653 1.00 10.76 C ATOM 624 C GLN A 40 -9.810 3.053 -0.644 1.00 8.01 C ATOM 625 O GLN A 40 -10.054 2.551 0.446 1.00 8.96 O ATOM 626 CB GLN A 40 -11.925 2.213 -1.818 1.00 11.14 C ATOM 627 CG GLN A 40 -13.115 2.584 -2.691 1.00 14.85 C ATOM 628 CD GLN A 40 -14.062 1.405 -2.724 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.879 0.351 -2.137 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.169 1.664 -3.473 1.00 18.16 N ATOM 0 H GLN A 40 -10.322 3.134 -3.580 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.479 4.281 -1.212 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.388 1.375 -2.263 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.274 1.884 -0.839 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.618 3.465 -2.293 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.784 2.834 -3.699 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.268 2.564 -3.942 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.899 0.958 -3.565 1.00 18.16 H new ATOM 639 N GLN A 41 -8.558 3.230 -1.150 1.00 6.52 N ATOM 640 CA GLN A 41 -7.386 2.709 -0.395 1.00 3.87 C ATOM 641 C GLN A 41 -6.607 3.769 0.306 1.00 4.79 C ATOM 642 O GLN A 41 -6.197 4.805 -0.310 1.00 6.34 O ATOM 643 CB GLN A 41 -6.451 1.929 -1.367 1.00 4.20 C ATOM 644 CG GLN A 41 -6.992 0.591 -1.952 1.00 3.20 C ATOM 645 CD GLN A 41 -6.054 -0.311 -2.759 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.879 -0.623 -2.415 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.607 -0.805 -3.874 1.00 7.13 N ATOM 0 H GLN A 41 -8.341 3.702 -2.028 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.779 2.051 0.380 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.205 2.587 -2.200 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.519 1.717 -0.842 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.376 0.002 -1.119 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.842 0.833 -2.590 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.557 -0.540 -4.133 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.078 -1.447 -4.465 1.00 7.13 H new ATOM 656 N ARG A 42 -6.306 3.461 1.627 1.00 5.73 N ATOM 657 CA ARG A 42 -5.273 4.292 2.382 1.00 6.97 C ATOM 658 C ARG A 42 -4.135 3.424 2.810 1.00 7.15 C ATOM 659 O ARG A 42 -4.426 2.391 3.438 1.00 7.33 O ATOM 660 CB ARG A 42 -5.824 5.069 3.572 1.00 13.23 C ATOM 661 CG ARG A 42 -7.066 5.871 3.251 1.00 21.27 C ATOM 662 CD ARG A 42 -7.617 6.767 4.381 1.00 26.14 C ATOM 663 NE ARG A 42 -8.809 7.452 3.911 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.394 8.418 4.649 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.978 8.704 5.904 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.500 9.025 4.209 1.00 36.39 N ATOM 0 H ARG A 42 -6.728 2.701 2.160 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.932 5.050 1.677 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.051 4.370 4.377 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.052 5.743 3.943 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.851 6.502 2.389 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.852 5.178 2.951 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.852 6.163 5.258 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.863 7.492 4.686 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.210 7.198 3.008 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.203 8.184 6.315 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.439 9.440 6.439 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.905 8.759 3.312 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.939 9.755 4.770 1.00 36.39 H new ATOM 680 N LEU A 43 -2.841 3.767 2.594 1.00 4.65 N ATOM 681 CA LEU A 43 -1.717 2.968 2.911 1.00 3.51 C ATOM 682 C LEU A 43 -0.845 3.571 3.965 1.00 5.56 C ATOM 683 O LEU A 43 -0.465 4.743 3.943 1.00 4.19 O ATOM 684 CB LEU A 43 -0.927 2.672 1.592 1.00 3.74 C ATOM 685 CG LEU A 43 0.083 1.531 1.677 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.664 0.225 1.913 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.852 1.471 0.347 1.00 6.41 C ATOM 0 H LEU A 43 -2.582 4.659 2.172 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.070 2.032 3.345 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.643 2.443 0.803 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.401 3.579 1.292 1.00 3.74 H new ATOM 0 HG LEU A 43 0.782 1.691 2.498 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.050 -0.596 1.975 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.225 0.290 2.846 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.353 0.045 1.087 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.581 0.661 0.384 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.153 1.292 -0.470 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.368 2.417 0.182 1.00 6.41 H new ATOM 699 N ILE A 44 -0.617 2.783 5.020 1.00 4.58 N ATOM 700 CA ILE A 44 0.010 3.226 6.282 1.00 5.55 C ATOM 701 C ILE A 44 1.189 2.365 6.647 1.00 5.46 C ATOM 702 O ILE A 44 1.071 1.171 6.511 1.00 6.04 O ATOM 703 CB ILE A 44 -1.061 3.139 7.363 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.106 4.344 7.300 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.348 3.260 8.770 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.387 4.010 6.427 1.00 13.90 C ATOM 0 H ILE A 44 -0.867 1.794 5.026 1.00 4.58 H new ATOM 0 HA ILE A 44 0.386 4.243 6.175 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.590 2.197 7.214 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.420 4.599 8.312 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.612 5.224 6.888 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.094 3.201 9.562 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.369 2.448 8.885 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.173 4.215 8.833 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.059 4.868 6.423 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.082 3.783 5.405 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.902 3.148 6.851 1.00 13.90 H new ATOM 718 N PHE A 45 2.310 2.984 7.143 1.00 6.75 N ATOM 719 CA PHE A 45 3.500 2.294 7.596 1.00 4.70 C ATOM 720 C PHE A 45 4.145 3.178 8.637 1.00 6.34 C ATOM 721 O PHE A 45 4.240 4.424 8.452 1.00 5.45 O ATOM 722 CB PHE A 45 4.410 1.963 6.359 1.00 5.51 C ATOM 723 CG PHE A 45 5.783 1.542 6.748 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.167 0.268 7.140 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.821 2.462 6.408 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.527 -0.098 7.305 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.206 2.057 6.496 1.00 6.64 C ATOM 728 CZ PHE A 45 8.530 0.770 6.975 1.00 6.84 C ATOM 0 H PHE A 45 2.382 3.998 7.228 1.00 6.75 H new ATOM 0 HA PHE A 45 3.291 1.331 8.061 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.944 1.170 5.773 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.473 2.840 5.715 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.403 -0.472 7.326 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.571 3.462 6.085 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.773 -1.074 7.696 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.990 2.737 6.196 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.563 0.473 7.080 1.00 6.84 H new ATOM 738 N ALA A 46 4.665 2.560 9.743 1.00 6.53 N ATOM 739 CA ALA A 46 5.245 3.186 10.863 1.00 7.15 C ATOM 740 C ALA A 46 4.426 4.262 11.564 1.00 9.00 C ATOM 741 O ALA A 46 5.015 5.194 12.144 1.00 11.15 O ATOM 742 CB ALA A 46 6.615 3.853 10.434 1.00 8.99 C ATOM 0 H ALA A 46 4.665 1.544 9.831 1.00 6.53 H new ATOM 0 HA ALA A 46 5.345 2.374 11.583 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.069 4.339 11.297 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.290 3.086 10.053 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.431 4.593 9.655 1.00 8.99 H new ATOM 748 N GLY A 47 3.095 4.140 11.462 1.00 9.35 N ATOM 749 CA GLY A 47 2.080 5.089 11.854 1.00 11.68 C ATOM 750 C GLY A 47 1.896 6.258 10.958 1.00 11.14 C ATOM 751 O GLY A 47 1.018 7.141 11.181 1.00 13.93 O ATOM 0 H GLY A 47 2.680 3.296 11.067 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.129 4.562 11.930 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.321 5.456 12.852 1.00 11.68 H new ATOM 755 N LYS A 48 2.693 6.353 9.840 1.00 10.47 N ATOM 756 CA LYS A 48 2.678 7.374 8.867 1.00 8.82 C ATOM 757 C LYS A 48 1.898 6.934 7.639 1.00 7.68 C ATOM 758 O LYS A 48 2.062 5.886 6.999 1.00 6.47 O ATOM 759 CB LYS A 48 4.090 7.770 8.449 1.00 9.74 C ATOM 760 CG LYS A 48 5.045 8.313 9.535 1.00 14.14 C ATOM 761 CD LYS A 48 6.458 8.746 9.015 1.00 16.32 C ATOM 762 CE LYS A 48 7.301 7.542 8.564 1.00 20.04 C ATOM 763 NZ LYS A 48 8.643 7.971 8.166 1.00 23.92 N ATOM 0 H LYS A 48 3.393 5.641 9.631 1.00 10.47 H new ATOM 0 HA LYS A 48 2.192 8.239 9.317 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.561 6.897 7.997 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.007 8.527 7.669 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.574 9.169 10.017 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.174 7.547 10.300 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.341 9.439 8.182 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.986 9.283 9.804 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.371 6.817 9.374 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.811 7.041 7.729 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.197 7.144 7.865 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.572 8.646 7.378 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.115 8.428 8.972 1.00 23.92 H new ATOM 777 N GLN A 49 0.965 7.827 7.242 1.00 8.89 N ATOM 778 CA GLN A 49 0.314 7.732 5.995 1.00 7.18 C ATOM 779 C GLN A 49 1.306 7.860 4.791 1.00 8.23 C ATOM 780 O GLN A 49 2.209 8.724 4.804 1.00 9.70 O ATOM 781 CB GLN A 49 -0.848 8.795 6.032 1.00 11.67 C ATOM 782 CG GLN A 49 -2.113 8.390 5.125 1.00 15.82 C ATOM 783 CD GLN A 49 -3.436 8.897 5.680 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.157 8.080 6.308 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.678 10.215 5.636 1.00 20.67 N ATOM 0 H GLN A 49 0.668 8.623 7.807 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.115 6.744 5.829 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.177 8.927 7.063 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.462 9.757 5.695 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.973 8.786 4.119 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.156 7.304 5.037 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.058 10.830 5.110 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.483 10.603 6.129 1.00 20.67 H new ATOM 794 N LEU A 50 1.121 7.025 3.758 1.00 6.51 N ATOM 795 CA LEU A 50 1.990 6.993 2.624 1.00 7.41 C ATOM 796 C LEU A 50 1.235 7.540 1.507 1.00 8.27 C ATOM 797 O LEU A 50 0.163 7.058 1.150 1.00 8.34 O ATOM 798 CB LEU A 50 2.602 5.587 2.309 1.00 7.13 C ATOM 799 CG LEU A 50 3.167 4.748 3.444 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.838 3.482 2.823 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.256 5.439 4.366 1.00 9.11 C ATOM 0 H LEU A 50 0.352 6.357 3.708 1.00 6.51 H new ATOM 0 HA LEU A 50 2.875 7.594 2.835 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.828 4.996 1.819 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.400 5.733 1.581 1.00 7.13 H new ATOM 0 HG LEU A 50 2.312 4.545 4.089 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.252 2.862 3.619 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.094 2.911 2.268 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.637 3.788 2.148 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.579 4.738 5.136 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.113 5.732 3.760 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.826 6.323 4.837 1.00 9.11 H new ATOM 813 N GLU A 51 1.843 8.484 0.731 1.00 9.43 N ATOM 814 CA GLU A 51 1.173 9.126 -0.388 1.00 11.90 C ATOM 815 C GLU A 51 1.340 8.471 -1.748 1.00 11.49 C ATOM 816 O GLU A 51 2.437 8.064 -2.172 1.00 9.88 O ATOM 817 CB GLU A 51 1.626 10.607 -0.471 1.00 16.56 C ATOM 818 CG GLU A 51 1.274 11.545 0.757 1.00 26.06 C ATOM 819 CD GLU A 51 -0.193 11.579 1.099 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.990 12.204 0.340 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.570 10.864 2.069 1.00 32.13 O ATOM 0 H GLU A 51 2.800 8.803 0.879 1.00 9.43 H new ATOM 0 HA GLU A 51 0.110 9.025 -0.167 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.707 10.622 -0.608 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.186 11.045 -1.367 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.833 11.209 1.630 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.609 12.558 0.535 1.00 26.06 H new ATOM 828 N ASP A 52 0.275 8.442 -2.537 1.00 12.71 N ATOM 829 CA ASP A 52 0.130 7.777 -3.856 1.00 16.56 C ATOM 830 C ASP A 52 1.344 7.997 -4.859 1.00 15.83 C ATOM 831 O ASP A 52 1.907 7.080 -5.400 1.00 17.21 O ATOM 832 CB ASP A 52 -1.171 8.214 -4.471 1.00 21.05 C ATOM 833 CG ASP A 52 -2.431 7.717 -3.725 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.599 6.495 -3.650 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.224 8.535 -3.249 1.00 25.82 O ATOM 0 H ASP A 52 -0.586 8.916 -2.264 1.00 12.71 H new ATOM 0 HA ASP A 52 0.135 6.703 -3.671 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.193 9.303 -4.509 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.210 7.858 -5.501 1.00 21.05 H new ATOM 840 N GLY A 53 1.755 9.263 -4.988 1.00 15.00 N ATOM 841 CA GLY A 53 2.780 9.660 -5.997 1.00 11.77 C ATOM 842 C GLY A 53 4.144 9.514 -5.509 1.00 11.10 C ATOM 843 O GLY A 53 5.086 9.910 -6.192 1.00 11.25 O ATOM 0 H GLY A 53 1.406 10.034 -4.419 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.654 9.053 -6.894 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.613 10.697 -6.288 1.00 11.77 H new ATOM 847 N ARG A 54 4.370 8.952 -4.359 1.00 8.53 N ATOM 848 CA ARG A 54 5.751 8.878 -3.776 1.00 9.05 C ATOM 849 C ARG A 54 6.162 7.398 -3.814 1.00 8.96 C ATOM 850 O ARG A 54 5.410 6.446 -3.927 1.00 11.60 O ATOM 851 CB ARG A 54 5.733 9.351 -2.366 1.00 7.97 C ATOM 852 CG ARG A 54 5.361 10.823 -2.349 1.00 9.62 C ATOM 853 CD ARG A 54 6.030 11.558 -1.186 1.00 12.20 C ATOM 854 NE ARG A 54 5.221 12.772 -0.821 1.00 18.23 N ATOM 855 CZ ARG A 54 5.433 13.357 0.398 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.301 12.893 1.261 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.645 14.395 0.736 1.00 23.38 N ATOM 0 H ARG A 54 3.645 8.529 -3.780 1.00 8.53 H new ATOM 0 HA ARG A 54 6.447 9.502 -4.336 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.015 8.774 -1.783 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.710 9.203 -1.906 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.657 11.285 -3.291 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.279 10.925 -2.270 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.116 10.895 -0.325 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.042 11.853 -1.464 1.00 12.20 H new ATOM 0 HE ARG A 54 4.529 13.151 -1.468 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.851 12.064 1.036 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.427 13.360 2.159 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.922 14.718 0.092 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.771 14.859 1.636 1.00 23.38 H new ATOM 871 N THR A 55 7.494 7.116 -3.672 1.00 9.05 N ATOM 872 CA THR A 55 8.024 5.791 -3.899 1.00 9.03 C ATOM 873 C THR A 55 8.506 5.193 -2.610 1.00 8.15 C ATOM 874 O THR A 55 8.602 5.860 -1.557 1.00 5.91 O ATOM 875 CB THR A 55 9.275 5.723 -4.744 1.00 11.15 C ATOM 876 OG1 THR A 55 10.232 6.782 -4.393 1.00 11.95 O ATOM 877 CG2 THR A 55 8.909 5.918 -6.176 1.00 11.71 C ATOM 0 H THR A 55 8.194 7.807 -3.401 1.00 9.05 H new ATOM 0 HA THR A 55 7.190 5.286 -4.386 1.00 9.03 H new ATOM 0 HB THR A 55 9.733 4.750 -4.568 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.121 6.390 -4.263 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.808 5.870 -6.791 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.216 5.135 -6.484 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.435 6.892 -6.301 1.00 11.71 H new ATOM 885 N LEU A 56 8.732 3.848 -2.592 1.00 6.91 N ATOM 886 CA LEU A 56 9.159 2.983 -1.577 1.00 8.29 C ATOM 887 C LEU A 56 10.607 3.276 -1.216 1.00 8.05 C ATOM 888 O LEU A 56 10.924 3.161 -0.003 1.00 10.17 O ATOM 889 CB LEU A 56 8.958 1.563 -1.993 1.00 6.60 C ATOM 890 CG LEU A 56 7.518 1.168 -2.314 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.521 0.144 -3.489 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.805 0.676 -1.100 1.00 8.64 C ATOM 0 H LEU A 56 8.579 3.316 -3.449 1.00 6.91 H new ATOM 0 HA LEU A 56 8.560 3.147 -0.681 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.573 1.370 -2.872 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.325 0.914 -1.198 1.00 6.60 H new ATOM 0 HG LEU A 56 6.957 2.044 -2.639 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.496 -0.143 -3.724 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.981 0.598 -4.366 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.088 -0.741 -3.199 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.783 0.403 -1.364 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.323 -0.197 -0.703 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.788 1.462 -0.345 1.00 8.64 H new ATOM 904 N SER A 57 11.384 3.729 -2.197 1.00 8.92 N ATOM 905 CA SER A 57 12.716 4.268 -1.917 1.00 9.00 C ATOM 906 C SER A 57 12.715 5.554 -1.093 1.00 9.44 C ATOM 907 O SER A 57 13.469 5.702 -0.135 1.00 10.91 O ATOM 908 CB SER A 57 13.455 4.629 -3.237 1.00 10.32 C ATOM 909 OG SER A 57 12.532 5.199 -4.142 1.00 13.59 O ATOM 0 H SER A 57 11.120 3.735 -3.182 1.00 8.92 H new ATOM 0 HA SER A 57 13.206 3.474 -1.354 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.265 5.330 -3.035 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.906 3.737 -3.672 1.00 10.32 H new ATOM 0 HG SER A 57 12.992 5.430 -4.976 1.00 13.59 H new ATOM 915 N ASP A 58 11.859 6.545 -1.439 1.00 9.11 N ATOM 916 CA ASP A 58 11.726 7.870 -0.823 1.00 7.91 C ATOM 917 C ASP A 58 11.237 7.716 0.621 1.00 9.12 C ATOM 918 O ASP A 58 11.750 8.339 1.548 1.00 8.61 O ATOM 919 CB ASP A 58 10.812 8.786 -1.713 1.00 8.41 C ATOM 920 CG ASP A 58 10.836 10.240 -1.391 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.915 10.865 -1.250 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.729 10.781 -1.221 1.00 11.70 O ATOM 0 H ASP A 58 11.202 6.423 -2.210 1.00 9.11 H new ATOM 0 HA ASP A 58 12.692 8.371 -0.770 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.108 8.660 -2.754 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.784 8.432 -1.629 1.00 8.41 H new ATOM 927 N TYR A 59 10.358 6.685 0.828 1.00 7.97 N ATOM 928 CA TYR A 59 9.803 6.420 2.145 1.00 8.45 C ATOM 929 C TYR A 59 10.617 5.444 2.997 1.00 10.98 C ATOM 930 O TYR A 59 10.361 5.228 4.187 1.00 12.95 O ATOM 931 CB TYR A 59 8.331 5.875 2.146 1.00 7.94 C ATOM 932 CG TYR A 59 7.334 6.981 1.952 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.351 8.092 2.824 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.328 6.797 1.005 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.421 9.125 2.605 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.321 7.745 0.876 1.00 6.52 C ATOM 937 CZ TYR A 59 5.432 8.915 1.600 1.00 6.76 C ATOM 938 OH TYR A 59 4.432 9.897 1.432 1.00 7.63 O ATOM 0 H TYR A 59 10.039 6.049 0.097 1.00 7.97 H new ATOM 0 HA TYR A 59 9.833 7.419 2.579 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.215 5.136 1.353 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.131 5.365 3.088 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.059 8.147 3.637 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.331 5.921 0.374 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.455 10.041 3.176 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.475 7.572 0.227 1.00 6.52 H new ATOM 0 HH TYR A 59 4.792 10.775 1.675 1.00 7.63 H new ATOM 948 N ASN A 60 11.650 4.870 2.350 1.00 12.38 N ATOM 949 CA ASN A 60 12.617 3.878 2.836 1.00 13.94 C ATOM 950 C ASN A 60 11.985 2.586 3.388 1.00 14.16 C ATOM 951 O ASN A 60 12.304 2.032 4.434 1.00 14.26 O ATOM 952 CB ASN A 60 13.571 4.461 3.908 1.00 19.23 C ATOM 953 CG ASN A 60 14.284 5.678 3.315 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.301 5.480 2.649 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.781 6.868 3.598 1.00 24.09 N ATOM 0 H ASN A 60 11.843 5.117 1.379 1.00 12.38 H new ATOM 0 HA ASN A 60 13.180 3.613 1.941 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.011 4.747 4.798 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.298 3.710 4.217 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.242 7.711 3.256 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.932 6.943 4.158 1.00 24.09 H new ATOM 962 N ILE A 61 11.137 2.045 2.480 1.00 11.08 N ATOM 963 CA ILE A 61 10.524 0.812 2.689 1.00 11.78 C ATOM 964 C ILE A 61 11.318 -0.199 1.976 1.00 13.74 C ATOM 965 O ILE A 61 11.598 -0.045 0.792 1.00 14.60 O ATOM 966 CB ILE A 61 9.104 0.889 2.162 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.241 1.755 3.097 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.410 -0.492 1.961 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.967 2.231 2.366 1.00 11.42 C ATOM 0 H ILE A 61 10.891 2.491 1.596 1.00 11.08 H new ATOM 0 HA ILE A 61 10.477 0.545 3.745 1.00 11.78 H new ATOM 0 HB ILE A 61 9.187 1.337 1.172 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.967 1.183 3.983 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.815 2.616 3.439 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.399 -0.340 1.582 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.980 -1.085 1.246 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.364 -1.019 2.914 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.367 2.842 3.041 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.247 2.821 1.494 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.386 1.366 2.047 1.00 11.42 H new ATOM 981 N GLN A 62 11.728 -1.240 2.655 1.00 13.97 N ATOM 982 CA GLN A 62 12.627 -2.313 2.102 1.00 15.52 C ATOM 983 C GLN A 62 12.017 -3.679 2.141 1.00 13.94 C ATOM 984 O GLN A 62 10.906 -3.884 2.669 1.00 12.15 O ATOM 985 CB GLN A 62 13.980 -2.348 2.869 1.00 19.53 C ATOM 986 CG GLN A 62 14.860 -1.055 2.656 1.00 26.38 C ATOM 987 CD GLN A 62 16.223 -1.314 3.368 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.077 -2.098 2.926 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.403 -0.701 4.512 1.00 32.71 N ATOM 0 H GLN A 62 11.462 -1.401 3.626 1.00 13.97 H new ATOM 0 HA GLN A 62 12.786 -2.051 1.056 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.782 -2.471 3.934 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.548 -3.221 2.548 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.010 -0.860 1.594 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.366 -0.178 3.074 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.693 -0.059 4.864 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.253 -0.866 5.051 1.00 32.71 H new ATOM 998 N LYS A 63 12.613 -4.680 1.459 1.00 11.73 N ATOM 999 CA LYS A 63 12.293 -6.059 1.517 1.00 11.97 C ATOM 1000 C LYS A 63 11.675 -6.600 2.780 1.00 10.41 C ATOM 1001 O LYS A 63 12.159 -6.413 3.871 1.00 9.59 O ATOM 1002 CB LYS A 63 13.511 -6.980 1.172 1.00 13.73 C ATOM 1003 CG LYS A 63 13.369 -8.513 1.421 1.00 16.98 C ATOM 1004 CD LYS A 63 14.485 -9.357 0.840 1.00 20.19 C ATOM 1005 CE LYS A 63 15.908 -9.125 1.357 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.071 -9.552 2.717 1.00 25.97 N ATOM 0 H LYS A 63 13.383 -4.496 0.816 1.00 11.73 H new ATOM 0 HA LYS A 63 11.512 -6.093 0.758 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.751 -6.834 0.119 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.368 -6.627 1.746 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.321 -8.689 2.496 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.421 -8.849 1.000 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.235 -10.404 1.011 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.493 -9.203 -0.239 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.614 -9.662 0.723 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.152 -8.065 1.280 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.049 -9.375 3.022 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.417 -9.022 3.328 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.865 -10.569 2.789 1.00 25.97 H new ATOM 1020 N GLU A 64 10.446 -7.240 2.667 1.00 10.04 N ATOM 1021 CA GLU A 64 9.680 -7.919 3.748 1.00 10.94 C ATOM 1022 C GLU A 64 9.015 -6.963 4.747 1.00 9.74 C ATOM 1023 O GLU A 64 8.577 -7.258 5.856 1.00 9.42 O ATOM 1024 CB GLU A 64 10.618 -9.010 4.453 1.00 18.31 C ATOM 1025 CG GLU A 64 10.805 -10.228 3.524 1.00 24.16 C ATOM 1026 CD GLU A 64 11.696 -11.358 4.163 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.708 -11.603 5.359 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.353 -12.122 3.361 1.00 31.72 O ATOM 0 H GLU A 64 9.958 -7.287 1.772 1.00 10.04 H new ATOM 0 HA GLU A 64 8.833 -8.425 3.284 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.587 -8.570 4.688 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.174 -9.327 5.397 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.828 -10.641 3.274 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.260 -9.899 2.590 1.00 24.16 H new ATOM 1035 N SER A 65 8.904 -5.665 4.300 1.00 6.85 N ATOM 1036 CA SER A 65 8.247 -4.675 5.186 1.00 6.90 C ATOM 1037 C SER A 65 6.775 -5.001 5.341 1.00 4.72 C ATOM 1038 O SER A 65 6.118 -5.507 4.391 1.00 3.91 O ATOM 1039 CB SER A 65 8.235 -3.173 4.580 1.00 7.28 C ATOM 1040 OG SER A 65 9.593 -2.680 4.511 1.00 10.56 O ATOM 0 H SER A 65 9.236 -5.313 3.402 1.00 6.85 H new ATOM 0 HA SER A 65 8.818 -4.722 6.113 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.783 -3.171 3.588 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.629 -2.519 5.207 1.00 7.28 H new ATOM 0 HG SER A 65 10.140 -3.300 3.984 1.00 10.56 H new ATOM 1046 N THR A 66 6.203 -4.740 6.561 1.00 4.48 N ATOM 1047 CA THR A 66 4.820 -4.965 6.955 1.00 3.80 C ATOM 1048 C THR A 66 4.086 -3.663 6.885 1.00 4.60 C ATOM 1049 O THR A 66 4.455 -2.711 7.554 1.00 5.33 O ATOM 1050 CB THR A 66 4.529 -5.478 8.397 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.980 -6.834 8.476 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.062 -5.383 8.800 1.00 3.40 C ATOM 0 H THR A 66 6.752 -4.343 7.324 1.00 4.48 H new ATOM 0 HA THR A 66 4.511 -5.752 6.267 1.00 3.80 H new ATOM 0 HB THR A 66 5.062 -4.835 9.098 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.811 -7.183 9.376 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.939 -5.758 9.816 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.739 -4.343 8.756 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.458 -5.980 8.117 1.00 3.40 H new ATOM 1060 N LEU A 67 3.098 -3.515 5.988 1.00 4.17 N ATOM 1061 CA LEU A 67 2.395 -2.271 5.714 1.00 3.85 C ATOM 1062 C LEU A 67 0.883 -2.512 6.028 1.00 3.80 C ATOM 1063 O LEU A 67 0.452 -3.639 6.250 1.00 5.54 O ATOM 1064 CB LEU A 67 2.519 -1.738 4.260 1.00 7.18 C ATOM 1065 CG LEU A 67 4.004 -1.467 3.810 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.558 -2.508 2.834 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.084 -0.066 3.250 1.00 11.66 C ATOM 0 H LEU A 67 2.762 -4.291 5.418 1.00 4.17 H new ATOM 0 HA LEU A 67 2.858 -1.508 6.340 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.068 -2.459 3.578 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.947 -0.814 4.171 1.00 7.18 H new ATOM 0 HG LEU A 67 4.645 -1.558 4.687 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.584 -2.251 2.572 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.538 -3.492 3.302 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.946 -2.523 1.932 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.106 0.141 2.932 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.413 0.023 2.395 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.791 0.650 4.018 1.00 11.66 H new ATOM 1079 N HIS A 68 0.099 -1.417 6.255 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.223 -1.458 6.720 1.00 4.17 C ATOM 1081 C HIS A 68 -2.149 -0.743 5.732 1.00 5.32 C ATOM 1082 O HIS A 68 -1.905 0.405 5.375 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.330 -0.934 8.156 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.323 -1.400 9.057 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.887 -0.777 9.276 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.303 -2.552 9.785 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.594 -1.614 10.086 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.908 -2.685 10.407 1.00 16.30 N ATOM 0 H HIS A 68 0.433 -0.466 6.096 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.555 -2.495 6.769 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.294 0.155 8.131 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.306 -1.212 8.554 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.120 -3.254 9.860 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.601 -1.419 10.424 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.214 -3.458 10.998 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.136 -1.449 5.214 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.069 -0.935 4.258 1.00 3.97 C ATOM 1098 C LEU A 69 -5.417 -0.728 4.966 1.00 5.07 C ATOM 1099 O LEU A 69 -6.059 -1.669 5.480 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.362 -1.958 3.130 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.187 -1.535 1.919 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.382 -0.519 1.065 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.524 -2.792 1.188 1.00 9.96 C ATOM 0 H LEU A 69 -3.307 -2.424 5.461 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.641 -0.022 3.844 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.402 -2.318 2.760 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.867 -2.809 3.586 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.109 -1.021 2.191 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -4.975 -0.219 0.201 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.149 0.359 1.667 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.455 -0.982 0.726 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.118 -2.552 0.306 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.605 -3.292 0.882 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.096 -3.451 1.842 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.866 0.553 4.953 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.171 0.911 5.481 1.00 6.26 C ATOM 1117 C VAL A 70 -8.109 1.296 4.338 1.00 9.22 C ATOM 1118 O VAL A 70 -7.954 2.259 3.631 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.054 2.069 6.463 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.410 2.421 7.067 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.045 1.570 7.600 1.00 8.54 C ATOM 0 H VAL A 70 -5.333 1.339 4.581 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.578 0.048 6.007 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.695 2.971 5.968 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.294 3.251 7.764 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.099 2.708 6.272 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.808 1.556 7.597 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.915 2.358 8.342 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.451 0.681 8.082 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.081 1.331 7.151 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.177 0.517 4.126 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.225 0.935 3.137 1.00 16.06 C ATOM 1133 C LEU A 71 -11.231 2.016 3.623 1.00 18.09 C ATOM 1134 O LEU A 71 -11.914 1.879 4.644 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.993 -0.223 2.596 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.093 -1.381 2.076 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.862 -2.600 1.599 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.243 -0.841 0.826 1.00 19.57 C ATOM 0 H LEU A 71 -9.352 -0.372 4.594 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.627 1.399 2.352 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.651 -0.608 3.375 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.631 0.123 1.783 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.476 -1.690 2.920 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.161 -3.360 1.253 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.455 -3.001 2.421 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.522 -2.316 0.780 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.605 -1.640 0.447 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.922 -0.514 0.038 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.624 -0.002 1.142 1.00 19.57 H new