USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 -77:sc= 1.02 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.205 K(o=1.2,f=-5.9!) USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 0.543 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.127 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.338) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.857 (180deg=0.0333) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 0.768 (180deg=0.407) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 14 THR OG1 : rot -55:sc= 1.26 USER MOD Single : A 20 SER OG : rot -45:sc= 0.0396 USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= -0.637 (180deg=-2.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.615 K(o=-0.62,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 134:sc= -2.76 (180deg=-7.47!) USER MOD Single : A 40 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.8!) USER MOD Single : A 41 GLN : amide:sc= -2.82! C(o=-2.8!,f=-7.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.82) USER MOD Single : A 55 THR OG1 : rot -55:sc= 0.691 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0.00285 USER MOD Single : A 60 ASN : amide:sc= -0.0491 K(o=-0.049,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= -0.909 K(o=-0.91,f=-0.23) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 56:sc= 0.92 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.857 -89.463 8.836 1.00 9.67 N ATOM 2 CA MET A 1 51.617 -88.687 9.117 1.00 10.38 C ATOM 3 C MET A 1 50.812 -88.526 7.834 1.00 9.62 C ATOM 4 O MET A 1 51.362 -88.563 6.733 1.00 9.62 O ATOM 5 CB MET A 1 51.991 -87.313 9.677 1.00 13.77 C ATOM 6 CG MET A 1 52.898 -86.575 8.693 1.00 16.29 C ATOM 7 SD MET A 1 53.560 -85.095 9.501 1.00 17.17 S ATOM 8 CE MET A 1 53.593 -84.022 8.045 1.00 16.11 C ATOM 0 H1 MET A 1 53.599 -89.189 9.511 1.00 9.67 H new ATOM 0 H2 MET A 1 52.660 -90.480 8.932 1.00 9.67 H new ATOM 0 H3 MET A 1 53.180 -89.263 7.868 1.00 9.67 H new ATOM 0 HA MET A 1 51.012 -89.220 9.851 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.089 -86.729 9.861 1.00 13.77 H new ATOM 0 HB3 MET A 1 52.498 -87.428 10.635 1.00 13.77 H new ATOM 0 HG2 MET A 1 53.712 -87.224 8.371 1.00 16.29 H new ATOM 0 HG3 MET A 1 52.338 -86.298 7.800 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.253 -83.175 8.232 1.00 16.11 H new ATOM 0 HE2 MET A 1 53.959 -84.585 7.186 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.586 -83.659 7.838 1.00 16.11 H new ATOM 20 N GLN A 2 49.502 -88.353 7.985 1.00 9.27 N ATOM 21 CA GLN A 2 48.610 -88.190 6.839 1.00 9.07 C ATOM 22 C GLN A 2 48.346 -86.712 6.590 1.00 8.72 C ATOM 23 O GLN A 2 48.166 -85.925 7.523 1.00 8.22 O ATOM 24 CB GLN A 2 47.283 -88.897 7.120 1.00 14.46 C ATOM 25 CG GLN A 2 47.499 -90.410 7.113 1.00 17.01 C ATOM 26 CD GLN A 2 46.183 -91.125 7.393 1.00 20.10 C ATOM 27 OE1 GLN A 2 45.276 -90.547 7.992 1.00 21.89 O ATOM 28 NE2 GLN A 2 46.023 -92.357 6.992 1.00 19.49 N ATOM 0 H GLN A 2 49.033 -88.322 8.890 1.00 9.27 H new ATOM 0 HA GLN A 2 49.082 -88.625 5.958 1.00 9.07 H new ATOM 0 HB2 GLN A 2 46.887 -88.580 8.085 1.00 14.46 H new ATOM 0 HB3 GLN A 2 46.545 -88.621 6.367 1.00 14.46 H new ATOM 0 HG2 GLN A 2 47.895 -90.725 6.148 1.00 17.01 H new ATOM 0 HG3 GLN A 2 48.238 -90.684 7.866 1.00 17.01 H new ATOM 0 HE21 GLN A 2 46.776 -92.834 6.496 1.00 19.49 H new ATOM 0 HE22 GLN A 2 45.145 -92.843 7.175 1.00 19.49 H new ATOM 37 N ILE A 3 48.301 -86.353 5.301 1.00 5.87 N ATOM 38 CA ILE A 3 48.032 -84.982 4.877 1.00 5.07 C ATOM 39 C ILE A 3 46.932 -84.992 3.814 1.00 4.01 C ATOM 40 O ILE A 3 46.605 -86.047 3.260 1.00 4.61 O ATOM 41 CB ILE A 3 49.309 -84.316 4.346 1.00 6.55 C ATOM 42 CG1 ILE A 3 49.848 -85.063 3.118 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.375 -84.328 5.447 1.00 5.58 C ATOM 44 CD1 ILE A 3 50.933 -84.220 2.441 1.00 10.83 C ATOM 0 H ILE A 3 48.450 -87.004 4.530 1.00 5.87 H new ATOM 0 HA ILE A 3 47.693 -84.398 5.733 1.00 5.07 H new ATOM 0 HB ILE A 3 49.072 -83.293 4.055 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.257 -86.028 3.417 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.038 -85.263 2.417 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.285 -83.856 5.077 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.008 -83.779 6.314 1.00 5.58 H new ATOM 0 HG23 ILE A 3 50.590 -85.357 5.734 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.315 -84.751 1.569 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.510 -83.266 2.128 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.747 -84.043 3.144 1.00 10.83 H new ATOM 56 N PHE A 4 46.370 -83.810 3.524 1.00 4.55 N ATOM 57 CA PHE A 4 45.309 -83.696 2.513 1.00 4.68 C ATOM 58 C PHE A 4 45.667 -82.668 1.441 1.00 5.30 C ATOM 59 O PHE A 4 46.172 -81.596 1.746 1.00 5.58 O ATOM 60 CB PHE A 4 43.998 -83.272 3.179 1.00 4.83 C ATOM 61 CG PHE A 4 43.571 -84.313 4.188 1.00 7.97 C ATOM 62 CD1 PHE A 4 42.948 -85.490 3.754 1.00 6.69 C ATOM 63 CD2 PHE A 4 43.782 -84.098 5.556 1.00 8.34 C ATOM 64 CE1 PHE A 4 42.539 -86.452 4.687 1.00 9.10 C ATOM 65 CE2 PHE A 4 43.374 -85.061 6.487 1.00 10.61 C ATOM 66 CZ PHE A 4 42.752 -86.237 6.053 1.00 8.90 C ATOM 0 H PHE A 4 46.628 -82.929 3.969 1.00 4.55 H new ATOM 0 HA PHE A 4 45.198 -84.672 2.041 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.126 -82.308 3.671 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.222 -83.145 2.425 1.00 4.83 H new ATOM 0 HD1 PHE A 4 42.783 -85.656 2.700 1.00 6.69 H new ATOM 0 HD2 PHE A 4 44.259 -83.190 5.893 1.00 8.34 H new ATOM 0 HE1 PHE A 4 42.059 -87.360 4.352 1.00 9.10 H new ATOM 0 HE2 PHE A 4 43.540 -84.896 7.541 1.00 10.61 H new ATOM 0 HZ PHE A 4 42.436 -86.978 6.772 1.00 8.90 H new ATOM 76 N VAL A 5 45.358 -82.993 0.183 1.00 4.44 N ATOM 77 CA VAL A 5 45.602 -82.066 -0.932 1.00 3.87 C ATOM 78 C VAL A 5 44.282 -81.801 -1.644 1.00 4.93 C ATOM 79 O VAL A 5 43.620 -82.732 -2.098 1.00 6.84 O ATOM 80 CB VAL A 5 46.607 -82.645 -1.934 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.895 -81.596 -3.019 1.00 5.28 C ATOM 82 CG2 VAL A 5 47.918 -82.989 -1.217 1.00 9.13 C ATOM 0 H VAL A 5 44.942 -83.883 -0.091 1.00 4.44 H new ATOM 0 HA VAL A 5 46.019 -81.143 -0.530 1.00 3.87 H new ATOM 0 HB VAL A 5 46.190 -83.547 -2.382 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.609 -82.001 -3.736 1.00 5.28 H new ATOM 0 HG12 VAL A 5 45.969 -81.342 -3.534 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.311 -80.700 -2.558 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.628 -83.400 -1.935 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.335 -82.087 -0.769 1.00 9.13 H new ATOM 0 HG23 VAL A 5 47.724 -83.725 -0.437 1.00 9.13 H new ATOM 92 N LYS A 6 43.911 -80.527 -1.765 1.00 6.04 N ATOM 93 CA LYS A 6 42.670 -80.163 -2.456 1.00 6.12 C ATOM 94 C LYS A 6 42.981 -79.702 -3.879 1.00 6.57 C ATOM 95 O LYS A 6 43.961 -78.990 -4.112 1.00 5.76 O ATOM 96 CB LYS A 6 41.923 -79.041 -1.700 1.00 7.45 C ATOM 97 CG LYS A 6 40.967 -79.636 -0.648 1.00 11.12 C ATOM 98 CD LYS A 6 40.006 -78.557 -0.145 1.00 14.54 C ATOM 99 CE LYS A 6 40.778 -77.291 0.231 1.00 18.84 C ATOM 100 NZ LYS A 6 39.922 -76.425 1.091 1.00 20.55 N ATOM 0 H LYS A 6 44.443 -79.737 -1.399 1.00 6.04 H new ATOM 0 HA LYS A 6 42.029 -81.044 -2.489 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.642 -78.382 -1.214 1.00 7.45 H new ATOM 0 HB3 LYS A 6 41.360 -78.432 -2.407 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.404 -80.462 -1.082 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.539 -80.043 0.186 1.00 11.12 H new ATOM 0 HD2 LYS A 6 39.271 -78.327 -0.916 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.455 -78.926 0.720 1.00 14.54 H new ATOM 0 HE2 LYS A 6 41.694 -77.554 0.759 1.00 18.84 H new ATOM 0 HE3 LYS A 6 41.073 -76.751 -0.669 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 40.446 -75.564 1.347 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 39.060 -76.164 0.572 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 39.662 -76.942 1.955 1.00 20.55 H new ATOM 114 N THR A 7 42.131 -80.108 -4.833 1.00 7.41 N ATOM 115 CA THR A 7 42.311 -79.727 -6.233 1.00 7.48 C ATOM 116 C THR A 7 41.390 -78.567 -6.599 1.00 8.75 C ATOM 117 O THR A 7 40.473 -78.200 -5.864 1.00 8.58 O ATOM 118 CB THR A 7 42.012 -80.907 -7.160 1.00 9.61 C ATOM 119 OG1 THR A 7 40.619 -81.181 -7.154 1.00 11.78 O ATOM 120 CG2 THR A 7 42.787 -82.150 -6.719 1.00 9.17 C ATOM 0 H THR A 7 41.317 -80.697 -4.658 1.00 7.41 H new ATOM 0 HA THR A 7 43.350 -79.421 -6.359 1.00 7.48 H new ATOM 0 HB THR A 7 42.326 -80.644 -8.170 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.289 -81.221 -8.076 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.560 -82.978 -7.391 1.00 9.17 H new ATOM 0 HG22 THR A 7 43.856 -81.941 -6.748 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.497 -82.418 -5.703 1.00 9.17 H new ATOM 128 N LEU A 8 41.673 -78.020 -7.754 1.00 9.84 N ATOM 129 CA LEU A 8 40.896 -76.896 -8.273 1.00 14.15 C ATOM 130 C LEU A 8 39.455 -77.308 -8.549 1.00 17.37 C ATOM 131 O LEU A 8 38.572 -76.455 -8.649 1.00 17.01 O ATOM 132 CB LEU A 8 41.504 -76.379 -9.579 1.00 16.63 C ATOM 133 CG LEU A 8 42.972 -76.007 -9.372 1.00 18.88 C ATOM 134 CD1 LEU A 8 43.551 -75.494 -10.693 1.00 19.31 C ATOM 135 CD2 LEU A 8 43.097 -74.916 -8.293 1.00 18.59 C ATOM 0 H LEU A 8 42.433 -78.326 -8.361 1.00 9.84 H new ATOM 0 HA LEU A 8 40.915 -76.113 -7.515 1.00 14.15 H new ATOM 0 HB2 LEU A 8 41.421 -77.142 -10.353 1.00 16.63 H new ATOM 0 HB3 LEU A 8 40.947 -75.509 -9.928 1.00 16.63 H new ATOM 0 HG LEU A 8 43.524 -76.888 -9.044 1.00 18.88 H new ATOM 0 HD11 LEU A 8 44.598 -75.227 -10.552 1.00 19.31 H new ATOM 0 HD12 LEU A 8 43.474 -76.274 -11.451 1.00 19.31 H new ATOM 0 HD13 LEU A 8 42.993 -74.616 -11.018 1.00 19.31 H new ATOM 0 HD21 LEU A 8 44.147 -74.660 -8.155 1.00 18.59 H new ATOM 0 HD22 LEU A 8 42.545 -74.030 -8.606 1.00 18.59 H new ATOM 0 HD23 LEU A 8 42.687 -75.285 -7.353 1.00 18.59 H new ATOM 147 N THR A 9 39.213 -78.614 -8.702 1.00 18.33 N ATOM 148 CA THR A 9 37.862 -79.096 -9.000 1.00 19.24 C ATOM 149 C THR A 9 37.094 -79.487 -7.740 1.00 19.48 C ATOM 150 O THR A 9 35.927 -79.873 -7.810 1.00 23.14 O ATOM 151 CB THR A 9 37.907 -80.255 -9.998 1.00 18.97 C ATOM 152 OG1 THR A 9 38.520 -81.378 -9.378 1.00 20.24 O ATOM 153 CG2 THR A 9 38.721 -79.849 -11.226 1.00 19.70 C ATOM 0 H THR A 9 39.921 -79.344 -8.626 1.00 18.33 H new ATOM 0 HA THR A 9 37.319 -78.268 -9.456 1.00 19.24 H new ATOM 0 HB THR A 9 36.893 -80.508 -10.307 1.00 18.97 H new ATOM 0 HG1 THR A 9 38.551 -82.125 -10.011 1.00 20.24 H new ATOM 0 HG21 THR A 9 38.750 -80.678 -11.934 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.258 -78.983 -11.700 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.737 -79.596 -10.922 1.00 19.70 H new ATOM 161 N GLY A 10 37.740 -79.339 -6.582 1.00 19.43 N ATOM 162 CA GLY A 10 37.087 -79.632 -5.304 1.00 18.74 C ATOM 163 C GLY A 10 37.333 -81.052 -4.797 1.00 17.62 C ATOM 164 O GLY A 10 36.647 -81.527 -3.892 1.00 19.74 O ATOM 0 H GLY A 10 38.706 -79.021 -6.502 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.440 -78.923 -4.555 1.00 18.74 H new ATOM 0 HA3 GLY A 10 36.014 -79.475 -5.411 1.00 18.74 H new ATOM 168 N LYS A 11 38.325 -81.720 -5.386 1.00 13.56 N ATOM 169 CA LYS A 11 38.649 -83.087 -4.967 1.00 11.91 C ATOM 170 C LYS A 11 39.685 -83.058 -3.851 1.00 10.18 C ATOM 171 O LYS A 11 40.583 -82.224 -3.879 1.00 9.10 O ATOM 172 CB LYS A 11 39.233 -83.893 -6.131 1.00 13.43 C ATOM 173 CG LYS A 11 39.331 -85.370 -5.747 1.00 16.69 C ATOM 174 CD LYS A 11 39.915 -86.162 -6.918 1.00 17.92 C ATOM 175 CE LYS A 11 40.014 -87.639 -6.537 1.00 20.81 C ATOM 176 NZ LYS A 11 40.495 -88.424 -7.709 1.00 21.93 N ATOM 0 H LYS A 11 38.907 -81.350 -6.137 1.00 13.56 H new ATOM 0 HA LYS A 11 37.726 -83.554 -4.623 1.00 11.91 H new ATOM 0 HB2 LYS A 11 38.605 -83.779 -7.014 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.220 -83.510 -6.390 1.00 13.43 H new ATOM 0 HG2 LYS A 11 39.961 -85.487 -4.865 1.00 16.69 H new ATOM 0 HG3 LYS A 11 38.345 -85.756 -5.488 1.00 16.69 H new ATOM 0 HD2 LYS A 11 39.285 -86.045 -7.800 1.00 17.92 H new ATOM 0 HD3 LYS A 11 40.901 -85.775 -7.176 1.00 17.92 H new ATOM 0 HE2 LYS A 11 40.697 -87.764 -5.697 1.00 20.81 H new ATOM 0 HE3 LYS A 11 39.041 -88.008 -6.213 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 40.160 -89.406 -7.630 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 40.126 -88.002 -8.585 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 41.535 -88.413 -7.731 1.00 21.93 H new ATOM 190 N THR A 12 39.592 -83.980 -2.885 1.00 9.63 N ATOM 191 CA THR A 12 40.581 -84.032 -1.794 1.00 9.85 C ATOM 192 C THR A 12 41.307 -85.374 -1.835 1.00 11.66 C ATOM 193 O THR A 12 40.671 -86.428 -1.852 1.00 12.33 O ATOM 194 CB THR A 12 39.900 -83.850 -0.435 1.00 10.85 C ATOM 195 OG1 THR A 12 39.244 -82.590 -0.402 1.00 10.91 O ATOM 196 CG2 THR A 12 40.968 -83.893 0.660 1.00 9.63 C ATOM 0 H THR A 12 38.859 -84.688 -2.833 1.00 9.63 H new ATOM 0 HA THR A 12 41.297 -83.221 -1.929 1.00 9.85 H new ATOM 0 HB THR A 12 39.170 -84.643 -0.275 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.806 -82.472 0.467 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.496 -83.764 1.634 1.00 9.63 H new ATOM 0 HG22 THR A 12 41.482 -84.854 0.630 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.688 -83.091 0.497 1.00 9.63 H new ATOM 204 N ILE A 13 42.643 -85.335 -1.825 1.00 10.42 N ATOM 205 CA ILE A 13 43.445 -86.564 -1.835 1.00 11.84 C ATOM 206 C ILE A 13 44.170 -86.723 -0.504 1.00 10.55 C ATOM 207 O ILE A 13 44.712 -85.760 0.034 1.00 11.92 O ATOM 208 CB ILE A 13 44.506 -86.540 -2.944 1.00 14.86 C ATOM 209 CG1 ILE A 13 43.868 -86.067 -4.250 1.00 14.87 C ATOM 210 CG2 ILE A 13 45.077 -87.947 -3.134 1.00 17.08 C ATOM 211 CD1 ILE A 13 44.900 -86.106 -5.377 1.00 16.46 C ATOM 0 H ILE A 13 43.189 -84.474 -1.810 1.00 10.42 H new ATOM 0 HA ILE A 13 42.758 -87.392 -2.010 1.00 11.84 H new ATOM 0 HB ILE A 13 45.309 -85.857 -2.665 1.00 14.86 H new ATOM 0 HG12 ILE A 13 43.018 -86.702 -4.501 1.00 14.87 H new ATOM 0 HG13 ILE A 13 43.484 -85.054 -4.131 1.00 14.87 H new ATOM 0 HG21 ILE A 13 45.831 -87.931 -3.921 1.00 17.08 H new ATOM 0 HG22 ILE A 13 45.533 -88.284 -2.203 1.00 17.08 H new ATOM 0 HG23 ILE A 13 44.275 -88.630 -3.413 1.00 17.08 H new ATOM 0 HD11 ILE A 13 44.439 -85.768 -6.305 1.00 16.46 H new ATOM 0 HD12 ILE A 13 45.736 -85.452 -5.128 1.00 16.46 H new ATOM 0 HD13 ILE A 13 45.263 -87.126 -5.503 1.00 16.46 H new ATOM 223 N THR A 14 44.198 -87.955 0.010 1.00 9.39 N ATOM 224 CA THR A 14 44.887 -88.240 1.269 1.00 9.63 C ATOM 225 C THR A 14 46.210 -88.927 0.960 1.00 11.20 C ATOM 226 O THR A 14 46.248 -89.877 0.178 1.00 11.63 O ATOM 227 CB THR A 14 44.030 -89.154 2.149 1.00 10.38 C ATOM 228 OG1 THR A 14 42.793 -88.514 2.430 1.00 16.30 O ATOM 229 CG2 THR A 14 44.766 -89.446 3.457 1.00 11.66 C ATOM 0 H THR A 14 43.755 -88.765 -0.423 1.00 9.39 H new ATOM 0 HA THR A 14 45.064 -87.307 1.803 1.00 9.63 H new ATOM 0 HB THR A 14 43.843 -90.092 1.625 1.00 10.38 H new ATOM 0 HG1 THR A 14 42.963 -87.637 2.833 1.00 16.30 H new ATOM 0 HG21 THR A 14 44.154 -90.097 4.081 1.00 11.66 H new ATOM 0 HG22 THR A 14 45.714 -89.939 3.239 1.00 11.66 H new ATOM 0 HG23 THR A 14 44.956 -88.511 3.984 1.00 11.66 H new ATOM 237 N LEU A 15 47.298 -88.443 1.562 1.00 8.29 N ATOM 238 CA LEU A 15 48.624 -89.028 1.320 1.00 9.03 C ATOM 239 C LEU A 15 49.308 -89.381 2.631 1.00 8.59 C ATOM 240 O LEU A 15 49.134 -88.691 3.634 1.00 7.79 O ATOM 241 CB LEU A 15 49.497 -88.025 0.561 1.00 11.08 C ATOM 242 CG LEU A 15 48.851 -87.673 -0.787 1.00 15.79 C ATOM 243 CD1 LEU A 15 49.617 -86.508 -1.421 1.00 15.88 C ATOM 244 CD2 LEU A 15 48.889 -88.889 -1.733 1.00 15.27 C ATOM 0 H LEU A 15 47.292 -87.658 2.213 1.00 8.29 H new ATOM 0 HA LEU A 15 48.494 -89.937 0.732 1.00 9.03 H new ATOM 0 HB2 LEU A 15 49.628 -87.122 1.157 1.00 11.08 H new ATOM 0 HB3 LEU A 15 50.489 -88.446 0.398 1.00 11.08 H new ATOM 0 HG LEU A 15 47.811 -87.390 -0.622 1.00 15.79 H new ATOM 0 HD11 LEU A 15 49.164 -86.253 -2.379 1.00 15.88 H new ATOM 0 HD12 LEU A 15 49.577 -85.643 -0.759 1.00 15.88 H new ATOM 0 HD13 LEU A 15 50.656 -86.798 -1.577 1.00 15.88 H new ATOM 0 HD21 LEU A 15 48.428 -88.624 -2.684 1.00 15.27 H new ATOM 0 HD22 LEU A 15 49.924 -89.186 -1.902 1.00 15.27 H new ATOM 0 HD23 LEU A 15 48.342 -89.718 -1.283 1.00 15.27 H new ATOM 256 N GLU A 16 50.152 -90.414 2.595 1.00 11.04 N ATOM 257 CA GLU A 16 50.936 -90.800 3.769 1.00 11.50 C ATOM 258 C GLU A 16 52.335 -90.226 3.554 1.00 10.13 C ATOM 259 O GLU A 16 52.982 -90.514 2.547 1.00 9.83 O ATOM 260 CB GLU A 16 50.978 -92.339 3.931 1.00 17.22 C ATOM 261 CG GLU A 16 50.034 -92.790 5.053 1.00 23.33 C ATOM 262 CD GLU A 16 50.586 -92.358 6.407 1.00 26.99 C ATOM 263 OE1 GLU A 16 51.775 -92.093 6.483 1.00 28.86 O ATOM 264 OE2 GLU A 16 49.815 -92.307 7.350 1.00 28.90 O ATOM 0 H GLU A 16 50.309 -90.995 1.771 1.00 11.04 H new ATOM 0 HA GLU A 16 50.491 -90.412 4.685 1.00 11.50 H new ATOM 0 HB2 GLU A 16 50.692 -92.817 2.994 1.00 17.22 H new ATOM 0 HB3 GLU A 16 51.996 -92.659 4.154 1.00 17.22 H new ATOM 0 HG2 GLU A 16 49.044 -92.360 4.901 1.00 23.33 H new ATOM 0 HG3 GLU A 16 49.918 -93.874 5.028 1.00 23.33 H new ATOM 271 N VAL A 17 52.789 -89.390 4.488 1.00 8.99 N ATOM 272 CA VAL A 17 54.102 -88.756 4.367 1.00 8.85 C ATOM 273 C VAL A 17 54.824 -88.704 5.705 1.00 8.04 C ATOM 274 O VAL A 17 54.229 -88.891 6.766 1.00 8.99 O ATOM 275 CB VAL A 17 53.935 -87.326 3.854 1.00 9.78 C ATOM 276 CG1 VAL A 17 53.310 -87.333 2.459 1.00 12.05 C ATOM 277 CG2 VAL A 17 53.030 -86.557 4.820 1.00 10.54 C ATOM 0 H VAL A 17 52.272 -89.137 5.330 1.00 8.99 H new ATOM 0 HA VAL A 17 54.693 -89.352 3.671 1.00 8.85 H new ATOM 0 HB VAL A 17 54.912 -86.846 3.795 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.197 -86.308 2.106 1.00 12.05 H new ATOM 0 HG12 VAL A 17 53.955 -87.884 1.774 1.00 12.05 H new ATOM 0 HG13 VAL A 17 52.332 -87.812 2.501 1.00 12.05 H new ATOM 0 HG21 VAL A 17 52.903 -85.535 4.464 1.00 10.54 H new ATOM 0 HG22 VAL A 17 52.057 -87.045 4.874 1.00 10.54 H new ATOM 0 HG23 VAL A 17 53.484 -86.543 5.811 1.00 10.54 H new ATOM 287 N GLU A 18 56.114 -88.391 5.624 1.00 7.29 N ATOM 288 CA GLU A 18 56.961 -88.240 6.808 1.00 7.08 C ATOM 289 C GLU A 18 57.470 -86.794 6.827 1.00 6.45 C ATOM 290 O GLU A 18 57.614 -86.198 5.759 1.00 5.28 O ATOM 291 CB GLU A 18 58.139 -89.215 6.743 1.00 10.28 C ATOM 292 CG GLU A 18 57.627 -90.653 6.857 1.00 12.65 C ATOM 293 CD GLU A 18 57.266 -90.964 8.306 1.00 14.15 C ATOM 294 OE1 GLU A 18 58.103 -90.743 9.165 1.00 14.33 O ATOM 295 OE2 GLU A 18 56.157 -91.420 8.535 1.00 18.17 O ATOM 0 H GLU A 18 56.602 -88.235 4.742 1.00 7.29 H new ATOM 0 HA GLU A 18 56.396 -88.459 7.714 1.00 7.08 H new ATOM 0 HB2 GLU A 18 58.680 -89.085 5.806 1.00 10.28 H new ATOM 0 HB3 GLU A 18 58.842 -89.004 7.549 1.00 10.28 H new ATOM 0 HG2 GLU A 18 56.754 -90.789 6.219 1.00 12.65 H new ATOM 0 HG3 GLU A 18 58.390 -91.348 6.506 1.00 12.65 H new ATOM 302 N PRO A 19 57.735 -86.186 7.966 1.00 7.24 N ATOM 303 CA PRO A 19 58.209 -84.778 7.976 1.00 7.07 C ATOM 304 C PRO A 19 59.494 -84.567 7.175 1.00 6.65 C ATOM 305 O PRO A 19 59.772 -83.455 6.722 1.00 6.37 O ATOM 306 CB PRO A 19 58.415 -84.419 9.462 1.00 7.61 C ATOM 307 CG PRO A 19 57.629 -85.458 10.208 1.00 8.16 C ATOM 308 CD PRO A 19 57.626 -86.722 9.333 1.00 7.49 C ATOM 0 HA PRO A 19 57.476 -84.132 7.492 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.470 -84.446 9.735 1.00 7.61 H new ATOM 0 HB3 PRO A 19 58.055 -83.414 9.682 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.080 -85.661 11.179 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.612 -85.114 10.394 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.460 -87.381 9.575 1.00 7.49 H new ATOM 0 HD3 PRO A 19 56.713 -87.302 9.466 1.00 7.49 H new ATOM 316 N SER A 20 60.285 -85.631 7.023 1.00 6.80 N ATOM 317 CA SER A 20 61.550 -85.540 6.298 1.00 6.28 C ATOM 318 C SER A 20 61.360 -85.728 4.797 1.00 8.45 C ATOM 319 O SER A 20 62.321 -85.625 4.034 1.00 7.26 O ATOM 320 CB SER A 20 62.540 -86.575 6.831 1.00 8.57 C ATOM 321 OG SER A 20 63.865 -86.127 6.577 1.00 11.13 O ATOM 0 H SER A 20 60.073 -86.559 7.390 1.00 6.80 H new ATOM 0 HA SER A 20 61.948 -84.538 6.460 1.00 6.28 H new ATOM 0 HB2 SER A 20 62.391 -86.721 7.901 1.00 8.57 H new ATOM 0 HB3 SER A 20 62.371 -87.539 6.351 1.00 8.57 H new ATOM 0 HG SER A 20 63.928 -85.797 5.656 1.00 11.13 H new ATOM 327 N ASP A 21 60.128 -85.977 4.359 1.00 7.50 N ATOM 328 CA ASP A 21 59.875 -86.136 2.934 1.00 7.70 C ATOM 329 C ASP A 21 60.036 -84.779 2.279 1.00 7.08 C ATOM 330 O ASP A 21 59.658 -83.738 2.833 1.00 8.11 O ATOM 331 CB ASP A 21 58.453 -86.664 2.703 1.00 11.00 C ATOM 332 CG ASP A 21 58.388 -88.164 2.982 1.00 15.32 C ATOM 333 OD1 ASP A 21 59.434 -88.792 3.012 1.00 18.03 O ATOM 334 OD2 ASP A 21 57.290 -88.663 3.164 1.00 14.36 O ATOM 0 H ASP A 21 59.307 -86.071 4.957 1.00 7.50 H new ATOM 0 HA ASP A 21 60.576 -86.852 2.505 1.00 7.70 H new ATOM 0 HB2 ASP A 21 57.753 -86.137 3.351 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.147 -86.466 1.676 1.00 11.00 H new ATOM 339 N THR A 22 60.575 -84.822 1.060 1.00 5.37 N ATOM 340 CA THR A 22 60.763 -83.623 0.269 1.00 6.01 C ATOM 341 C THR A 22 59.499 -83.327 -0.520 1.00 8.01 C ATOM 342 O THR A 22 58.711 -84.222 -0.812 1.00 8.11 O ATOM 343 CB THR A 22 61.914 -83.782 -0.719 1.00 8.92 C ATOM 344 OG1 THR A 22 61.593 -84.797 -1.655 1.00 10.22 O ATOM 345 CG2 THR A 22 63.218 -84.134 -0.003 1.00 9.65 C ATOM 0 H THR A 22 60.887 -85.680 0.605 1.00 5.37 H new ATOM 0 HA THR A 22 60.992 -82.808 0.956 1.00 6.01 H new ATOM 0 HB THR A 22 62.059 -82.832 -1.233 1.00 8.92 H new ATOM 0 HG1 THR A 22 61.710 -85.676 -1.238 1.00 10.22 H new ATOM 0 HG21 THR A 22 64.018 -84.240 -0.736 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.473 -83.341 0.700 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.094 -85.072 0.538 1.00 9.65 H new ATOM 353 N ILE A 23 59.339 -82.074 -0.888 1.00 8.32 N ATOM 354 CA ILE A 23 58.196 -81.653 -1.682 1.00 9.92 C ATOM 355 C ILE A 23 58.204 -82.404 -3.013 1.00 10.01 C ATOM 356 O ILE A 23 57.155 -82.825 -3.496 1.00 8.71 O ATOM 357 CB ILE A 23 58.264 -80.138 -1.871 1.00 10.78 C ATOM 358 CG1 ILE A 23 58.085 -79.425 -0.518 1.00 11.38 C ATOM 359 CG2 ILE A 23 57.200 -79.675 -2.869 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.748 -79.782 0.137 1.00 12.30 C ATOM 0 H ILE A 23 59.987 -81.323 -0.651 1.00 8.32 H new ATOM 0 HA ILE A 23 57.258 -81.889 -1.179 1.00 9.92 H new ATOM 0 HB ILE A 23 59.244 -79.880 -2.272 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.902 -79.700 0.149 1.00 11.38 H new ATOM 0 HG13 ILE A 23 58.142 -78.346 -0.665 1.00 11.38 H new ATOM 0 HG21 ILE A 23 57.262 -78.594 -2.992 1.00 10.90 H new ATOM 0 HG22 ILE A 23 57.368 -80.160 -3.831 1.00 10.90 H new ATOM 0 HG23 ILE A 23 56.211 -79.941 -2.496 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.658 -79.260 1.089 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.930 -79.483 -0.519 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.702 -80.858 0.307 1.00 12.30 H new ATOM 372 N GLU A 24 59.391 -82.599 -3.591 1.00 9.54 N ATOM 373 CA GLU A 24 59.499 -83.341 -4.848 1.00 11.81 C ATOM 374 C GLU A 24 58.956 -84.756 -4.641 1.00 11.14 C ATOM 375 O GLU A 24 58.285 -85.298 -5.513 1.00 10.62 O ATOM 376 CB GLU A 24 60.954 -83.401 -5.321 1.00 19.24 C ATOM 377 CG GLU A 24 61.029 -84.117 -6.674 1.00 27.76 C ATOM 378 CD GLU A 24 62.476 -84.180 -7.151 1.00 32.92 C ATOM 379 OE1 GLU A 24 63.333 -83.668 -6.451 1.00 34.80 O ATOM 380 OE2 GLU A 24 62.705 -84.740 -8.211 1.00 36.51 O ATOM 0 H GLU A 24 60.277 -82.260 -3.216 1.00 9.54 H new ATOM 0 HA GLU A 24 58.916 -82.830 -5.614 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.360 -82.393 -5.409 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.564 -83.927 -4.586 1.00 19.24 H new ATOM 0 HG2 GLU A 24 60.623 -85.124 -6.585 1.00 27.76 H new ATOM 0 HG3 GLU A 24 60.418 -83.591 -7.408 1.00 27.76 H new ATOM 387 N ASN A 25 59.246 -85.345 -3.481 1.00 9.43 N ATOM 388 CA ASN A 25 58.750 -86.695 -3.205 1.00 10.96 C ATOM 389 C ASN A 25 57.225 -86.668 -3.124 1.00 9.68 C ATOM 390 O ASN A 25 56.557 -87.568 -3.625 1.00 9.33 O ATOM 391 CB ASN A 25 59.321 -87.252 -1.890 1.00 16.78 C ATOM 392 CG ASN A 25 60.788 -87.652 -2.055 1.00 22.31 C ATOM 393 OD1 ASN A 25 61.662 -87.092 -1.397 1.00 25.66 O ATOM 394 ND2 ASN A 25 61.112 -88.617 -2.875 1.00 24.70 N ATOM 0 H ASN A 25 59.804 -84.926 -2.737 1.00 9.43 H new ATOM 0 HA ASN A 25 59.075 -87.346 -4.016 1.00 10.96 H new ATOM 0 HB2 ASN A 25 59.231 -86.502 -1.104 1.00 16.78 H new ATOM 0 HB3 ASN A 25 58.738 -88.117 -1.574 1.00 16.78 H new ATOM 0 HD21 ASN A 25 62.087 -88.902 -2.967 1.00 24.70 H new ATOM 0 HD22 ASN A 25 60.390 -89.085 -3.423 1.00 24.70 H new ATOM 401 N VAL A 26 56.680 -85.626 -2.497 1.00 6.52 N ATOM 402 CA VAL A 26 55.230 -85.504 -2.375 1.00 5.53 C ATOM 403 C VAL A 26 54.605 -85.385 -3.762 1.00 4.42 C ATOM 404 O VAL A 26 53.599 -86.037 -4.048 1.00 3.40 O ATOM 405 CB VAL A 26 54.845 -84.303 -1.509 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.328 -84.099 -1.552 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.298 -84.543 -0.068 1.00 8.12 C ATOM 0 H VAL A 26 57.211 -84.866 -2.072 1.00 6.52 H new ATOM 0 HA VAL A 26 54.849 -86.400 -1.885 1.00 5.53 H new ATOM 0 HB VAL A 26 55.335 -83.409 -1.894 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.058 -83.243 -0.934 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.014 -83.918 -2.580 1.00 7.25 H new ATOM 0 HG13 VAL A 26 52.830 -84.991 -1.173 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.023 -83.686 0.547 1.00 8.12 H new ATOM 0 HG22 VAL A 26 54.815 -85.439 0.321 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.380 -84.675 -0.044 1.00 8.12 H new ATOM 417 N LYS A 27 55.205 -84.567 -4.639 1.00 2.64 N ATOM 418 CA LYS A 27 54.692 -84.406 -5.993 1.00 4.14 C ATOM 419 C LYS A 27 54.706 -85.759 -6.703 1.00 5.58 C ATOM 420 O LYS A 27 53.788 -86.088 -7.450 1.00 4.11 O ATOM 421 CB LYS A 27 55.575 -83.456 -6.808 1.00 3.97 C ATOM 422 CG LYS A 27 55.502 -82.000 -6.295 1.00 7.45 C ATOM 423 CD LYS A 27 55.562 -81.041 -7.502 1.00 9.02 C ATOM 424 CE LYS A 27 55.988 -79.640 -7.040 1.00 12.90 C ATOM 425 NZ LYS A 27 55.039 -79.151 -6.001 1.00 15.47 N ATOM 0 H LYS A 27 56.037 -84.015 -4.431 1.00 2.64 H new ATOM 0 HA LYS A 27 53.682 -84.001 -5.921 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.608 -83.801 -6.769 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.268 -83.486 -7.854 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.580 -81.844 -5.735 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.328 -81.799 -5.612 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.267 -81.419 -8.242 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.587 -80.992 -7.987 1.00 9.02 H new ATOM 0 HE2 LYS A 27 57.001 -79.670 -6.638 1.00 12.90 H new ATOM 0 HE3 LYS A 27 56.002 -78.954 -7.887 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 54.756 -78.175 -6.221 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 54.197 -79.761 -5.986 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 55.501 -79.176 -5.070 1.00 15.47 H new ATOM 439 N ALA A 28 55.770 -86.525 -6.472 1.00 6.61 N ATOM 440 CA ALA A 28 55.910 -87.830 -7.107 1.00 7.74 C ATOM 441 C ALA A 28 54.790 -88.766 -6.665 1.00 9.17 C ATOM 442 O ALA A 28 54.266 -89.539 -7.466 1.00 11.45 O ATOM 443 CB ALA A 28 57.276 -88.442 -6.791 1.00 7.68 C ATOM 0 H ALA A 28 56.540 -86.266 -5.855 1.00 6.61 H new ATOM 0 HA ALA A 28 55.838 -87.693 -8.186 1.00 7.74 H new ATOM 0 HB1 ALA A 28 57.359 -89.415 -7.275 1.00 7.68 H new ATOM 0 HB2 ALA A 28 58.063 -87.785 -7.160 1.00 7.68 H new ATOM 0 HB3 ALA A 28 57.380 -88.563 -5.713 1.00 7.68 H new ATOM 449 N LYS A 29 54.416 -88.679 -5.398 1.00 8.96 N ATOM 450 CA LYS A 29 53.338 -89.509 -4.874 1.00 7.90 C ATOM 451 C LYS A 29 52.019 -89.127 -5.547 1.00 6.92 C ATOM 452 O LYS A 29 51.225 -89.993 -5.904 1.00 6.87 O ATOM 453 CB LYS A 29 53.219 -89.314 -3.362 1.00 10.28 C ATOM 454 CG LYS A 29 54.428 -89.939 -2.665 1.00 14.94 C ATOM 455 CD LYS A 29 54.325 -89.696 -1.155 1.00 19.69 C ATOM 456 CE LYS A 29 55.496 -90.373 -0.421 1.00 22.63 C ATOM 457 NZ LYS A 29 55.071 -91.727 0.033 1.00 24.98 N ATOM 0 H LYS A 29 54.838 -88.048 -4.717 1.00 8.96 H new ATOM 0 HA LYS A 29 53.560 -90.555 -5.083 1.00 7.90 H new ATOM 0 HB2 LYS A 29 53.160 -88.251 -3.126 1.00 10.28 H new ATOM 0 HB3 LYS A 29 52.300 -89.773 -2.998 1.00 10.28 H new ATOM 0 HG2 LYS A 29 54.468 -91.009 -2.871 1.00 14.94 H new ATOM 0 HG3 LYS A 29 55.350 -89.505 -3.053 1.00 14.94 H new ATOM 0 HD2 LYS A 29 54.330 -88.625 -0.951 1.00 19.69 H new ATOM 0 HD3 LYS A 29 53.379 -90.087 -0.781 1.00 19.69 H new ATOM 0 HE2 LYS A 29 56.359 -90.452 -1.082 1.00 22.63 H new ATOM 0 HE3 LYS A 29 55.803 -89.770 0.433 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 55.859 -92.190 0.530 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 54.259 -91.638 0.677 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 54.798 -92.300 -0.791 1.00 24.98 H new ATOM 471 N ILE A 30 51.818 -87.820 -5.767 1.00 4.57 N ATOM 472 CA ILE A 30 50.619 -87.330 -6.450 1.00 5.58 C ATOM 473 C ILE A 30 50.612 -87.832 -7.897 1.00 7.26 C ATOM 474 O ILE A 30 49.569 -88.221 -8.412 1.00 9.46 O ATOM 475 CB ILE A 30 50.550 -85.799 -6.380 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.251 -85.410 -4.920 1.00 2.94 C ATOM 477 CG2 ILE A 30 49.441 -85.278 -7.312 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.079 -83.896 -4.785 1.00 2.00 C ATOM 0 H ILE A 30 52.469 -87.088 -5.482 1.00 4.57 H new ATOM 0 HA ILE A 30 49.731 -87.717 -5.951 1.00 5.58 H new ATOM 0 HB ILE A 30 51.493 -85.358 -6.702 1.00 5.36 H new ATOM 0 HG12 ILE A 30 49.346 -85.915 -4.583 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.063 -85.747 -4.276 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.400 -84.190 -7.256 1.00 2.78 H new ATOM 0 HG22 ILE A 30 49.655 -85.580 -8.337 1.00 2.78 H new ATOM 0 HG23 ILE A 30 48.482 -85.694 -7.004 1.00 2.78 H new ATOM 0 HD11 ILE A 30 49.869 -83.645 -3.745 1.00 2.00 H new ATOM 0 HD12 ILE A 30 50.995 -83.396 -5.101 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.251 -83.567 -5.413 1.00 2.00 H new ATOM 490 N GLN A 31 51.773 -87.837 -8.545 1.00 7.06 N ATOM 491 CA GLN A 31 51.871 -88.314 -9.927 1.00 8.67 C ATOM 492 C GLN A 31 51.428 -89.770 -9.998 1.00 10.90 C ATOM 493 O GLN A 31 50.709 -90.179 -10.910 1.00 9.63 O ATOM 494 CB GLN A 31 53.329 -88.203 -10.388 1.00 9.12 C ATOM 495 CG GLN A 31 53.477 -88.733 -11.819 1.00 10.76 C ATOM 496 CD GLN A 31 54.911 -88.530 -12.300 1.00 13.78 C ATOM 497 OE1 GLN A 31 55.746 -88.005 -11.563 1.00 14.48 O ATOM 498 NE2 GLN A 31 55.246 -88.910 -13.503 1.00 14.76 N ATOM 0 H GLN A 31 52.655 -87.519 -8.142 1.00 7.06 H new ATOM 0 HA GLN A 31 51.230 -87.712 -10.571 1.00 8.67 H new ATOM 0 HB2 GLN A 31 53.654 -87.163 -10.343 1.00 9.12 H new ATOM 0 HB3 GLN A 31 53.974 -88.768 -9.715 1.00 9.12 H new ATOM 0 HG2 GLN A 31 53.219 -89.791 -11.853 1.00 10.76 H new ATOM 0 HG3 GLN A 31 52.784 -88.214 -12.482 1.00 10.76 H new ATOM 0 HE21 GLN A 31 54.553 -89.345 -14.112 1.00 14.76 H new ATOM 0 HE22 GLN A 31 56.201 -88.772 -13.834 1.00 14.76 H new ATOM 507 N ASP A 32 51.898 -90.541 -9.042 1.00 10.93 N ATOM 508 CA ASP A 32 51.582 -91.961 -9.007 1.00 14.01 C ATOM 509 C ASP A 32 50.072 -92.172 -8.902 1.00 14.04 C ATOM 510 O ASP A 32 49.516 -93.086 -9.510 1.00 13.39 O ATOM 511 CB ASP A 32 52.251 -92.605 -7.792 1.00 18.01 C ATOM 512 CG ASP A 32 53.763 -92.650 -7.985 1.00 24.33 C ATOM 513 OD1 ASP A 32 54.201 -92.555 -9.120 1.00 26.29 O ATOM 514 OD2 ASP A 32 54.462 -92.780 -6.993 1.00 25.17 O ATOM 0 H ASP A 32 52.496 -90.217 -8.282 1.00 10.93 H new ATOM 0 HA ASP A 32 51.947 -92.418 -9.927 1.00 14.01 H new ATOM 0 HB2 ASP A 32 52.009 -92.040 -6.892 1.00 18.01 H new ATOM 0 HB3 ASP A 32 51.865 -93.614 -7.648 1.00 18.01 H new ATOM 519 N LYS A 33 49.427 -91.351 -8.075 1.00 14.22 N ATOM 520 CA LYS A 33 47.990 -91.479 -7.830 1.00 14.00 C ATOM 521 C LYS A 33 47.101 -90.826 -8.903 1.00 12.37 C ATOM 522 O LYS A 33 46.029 -91.350 -9.206 1.00 12.17 O ATOM 523 CB LYS A 33 47.636 -90.836 -6.485 1.00 18.62 C ATOM 524 CG LYS A 33 48.468 -91.457 -5.333 1.00 24.00 C ATOM 525 CD LYS A 33 47.561 -91.748 -4.130 1.00 27.61 C ATOM 526 CE LYS A 33 48.385 -92.332 -2.982 1.00 27.64 C ATOM 527 NZ LYS A 33 49.616 -91.517 -2.781 1.00 30.06 N ATOM 0 H LYS A 33 49.875 -90.591 -7.564 1.00 14.22 H new ATOM 0 HA LYS A 33 47.791 -92.551 -7.845 1.00 14.00 H new ATOM 0 HB2 LYS A 33 47.819 -89.763 -6.532 1.00 18.62 H new ATOM 0 HB3 LYS A 33 46.573 -90.970 -6.283 1.00 18.62 H new ATOM 0 HG2 LYS A 33 48.944 -92.377 -5.672 1.00 24.00 H new ATOM 0 HG3 LYS A 33 49.266 -90.775 -5.041 1.00 24.00 H new ATOM 0 HD2 LYS A 33 47.069 -90.831 -3.805 1.00 27.61 H new ATOM 0 HD3 LYS A 33 46.776 -92.447 -4.417 1.00 27.61 H new ATOM 0 HE2 LYS A 33 47.793 -92.345 -2.067 1.00 27.64 H new ATOM 0 HE3 LYS A 33 48.653 -93.365 -3.203 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 49.745 -91.327 -1.767 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 50.440 -92.038 -3.143 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 49.524 -90.617 -3.293 1.00 30.06 H new ATOM 541 N GLU A 34 47.482 -89.644 -9.401 1.00 10.11 N ATOM 542 CA GLU A 34 46.623 -88.899 -10.349 1.00 10.07 C ATOM 543 C GLU A 34 47.142 -88.787 -11.789 1.00 9.32 C ATOM 544 O GLU A 34 46.383 -88.450 -12.698 1.00 11.61 O ATOM 545 CB GLU A 34 46.404 -87.500 -9.758 1.00 14.77 C ATOM 546 CG GLU A 34 45.567 -87.630 -8.478 1.00 18.75 C ATOM 547 CD GLU A 34 44.129 -88.008 -8.823 1.00 22.28 C ATOM 548 OE1 GLU A 34 43.738 -87.793 -9.959 1.00 21.95 O ATOM 549 OE2 GLU A 34 43.441 -88.504 -7.947 1.00 25.19 O ATOM 0 H GLU A 34 48.363 -89.183 -9.173 1.00 10.11 H new ATOM 0 HA GLU A 34 45.701 -89.471 -10.453 1.00 10.07 H new ATOM 0 HB2 GLU A 34 47.362 -87.030 -9.536 1.00 14.77 H new ATOM 0 HB3 GLU A 34 45.894 -86.861 -10.479 1.00 14.77 H new ATOM 0 HG2 GLU A 34 46.003 -88.387 -7.825 1.00 18.75 H new ATOM 0 HG3 GLU A 34 45.581 -86.689 -7.929 1.00 18.75 H new ATOM 556 N GLY A 35 48.414 -89.096 -12.002 1.00 7.22 N ATOM 557 CA GLY A 35 48.984 -89.051 -13.353 1.00 6.29 C ATOM 558 C GLY A 35 49.377 -87.635 -13.792 1.00 6.93 C ATOM 559 O GLY A 35 49.681 -87.397 -14.961 1.00 7.41 O ATOM 0 H GLY A 35 49.068 -89.378 -11.271 1.00 7.22 H new ATOM 0 HA2 GLY A 35 49.863 -89.694 -13.392 1.00 6.29 H new ATOM 0 HA3 GLY A 35 48.260 -89.457 -14.060 1.00 6.29 H new ATOM 563 N ILE A 36 49.360 -86.709 -12.845 1.00 5.86 N ATOM 564 CA ILE A 36 49.711 -85.315 -13.133 1.00 6.07 C ATOM 565 C ILE A 36 51.241 -85.135 -13.056 1.00 6.36 C ATOM 566 O ILE A 36 51.813 -85.327 -11.983 1.00 6.18 O ATOM 567 CB ILE A 36 49.052 -84.405 -12.088 1.00 7.47 C ATOM 568 CG1 ILE A 36 47.538 -84.698 -11.989 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.257 -82.939 -12.493 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.017 -84.254 -10.618 1.00 9.49 C ATOM 0 H ILE A 36 49.109 -86.890 -11.873 1.00 5.86 H new ATOM 0 HA ILE A 36 49.363 -85.055 -14.133 1.00 6.07 H new ATOM 0 HB ILE A 36 49.511 -84.595 -11.118 1.00 7.47 H new ATOM 0 HG12 ILE A 36 47.003 -84.172 -12.780 1.00 8.52 H new ATOM 0 HG13 ILE A 36 47.353 -85.763 -12.132 1.00 8.52 H new ATOM 0 HG21 ILE A 36 48.790 -82.289 -11.753 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.324 -82.722 -12.546 1.00 7.36 H new ATOM 0 HG23 ILE A 36 48.803 -82.764 -13.468 1.00 7.36 H new ATOM 0 HD11 ILE A 36 45.949 -84.461 -10.550 1.00 9.49 H new ATOM 0 HD12 ILE A 36 47.543 -84.800 -9.835 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.188 -83.185 -10.493 1.00 9.49 H new ATOM 582 N PRO A 37 51.934 -84.780 -14.132 1.00 8.65 N ATOM 583 CA PRO A 37 53.421 -84.605 -14.067 1.00 9.18 C ATOM 584 C PRO A 37 53.847 -83.516 -13.048 1.00 9.85 C ATOM 585 O PRO A 37 53.180 -82.487 -12.937 1.00 8.51 O ATOM 586 CB PRO A 37 53.834 -84.228 -15.503 1.00 11.42 C ATOM 587 CG PRO A 37 52.676 -84.619 -16.370 1.00 9.27 C ATOM 588 CD PRO A 37 51.423 -84.526 -15.494 1.00 8.33 C ATOM 0 HA PRO A 37 53.913 -85.513 -13.719 1.00 9.18 H new ATOM 0 HB2 PRO A 37 54.042 -83.161 -15.584 1.00 11.42 H new ATOM 0 HB3 PRO A 37 54.742 -84.753 -15.801 1.00 11.42 H new ATOM 0 HG2 PRO A 37 52.596 -83.957 -17.232 1.00 9.27 H new ATOM 0 HG3 PRO A 37 52.805 -85.630 -16.756 1.00 9.27 H new ATOM 0 HD2 PRO A 37 50.952 -83.546 -15.570 1.00 8.33 H new ATOM 0 HD3 PRO A 37 50.674 -85.262 -15.785 1.00 8.33 H new ATOM 596 N PRO A 38 54.931 -83.719 -12.297 1.00 8.71 N ATOM 597 CA PRO A 38 55.409 -82.718 -11.273 1.00 9.08 C ATOM 598 C PRO A 38 55.677 -81.304 -11.823 1.00 9.28 C ATOM 599 O PRO A 38 55.525 -80.329 -11.087 1.00 6.50 O ATOM 600 CB PRO A 38 56.718 -83.323 -10.738 1.00 10.31 C ATOM 601 CG PRO A 38 56.618 -84.782 -11.014 1.00 10.81 C ATOM 602 CD PRO A 38 55.818 -84.912 -12.308 1.00 12.00 C ATOM 0 HA PRO A 38 54.634 -82.566 -10.521 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.585 -82.887 -11.235 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.833 -83.131 -9.671 1.00 10.31 H new ATOM 0 HG2 PRO A 38 57.607 -85.228 -11.120 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.121 -85.301 -10.194 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.469 -84.918 -13.182 1.00 12.00 H new ATOM 0 HD3 PRO A 38 55.243 -85.838 -12.332 1.00 12.00 H new ATOM 610 N ASP A 39 56.101 -81.175 -13.071 1.00 11.20 N ATOM 611 CA ASP A 39 56.403 -79.846 -13.614 1.00 14.96 C ATOM 612 C ASP A 39 55.145 -79.010 -13.843 1.00 13.99 C ATOM 613 O ASP A 39 55.231 -77.793 -14.009 1.00 13.75 O ATOM 614 CB ASP A 39 57.218 -79.961 -14.907 1.00 24.16 C ATOM 615 CG ASP A 39 58.629 -80.456 -14.602 1.00 31.06 C ATOM 616 OD1 ASP A 39 59.050 -80.332 -13.464 1.00 35.55 O ATOM 617 OD2 ASP A 39 59.270 -80.953 -15.514 1.00 34.22 O ATOM 0 H ASP A 39 56.243 -81.950 -13.719 1.00 11.20 H new ATOM 0 HA ASP A 39 57.000 -79.325 -12.866 1.00 14.96 H new ATOM 0 HB2 ASP A 39 56.725 -80.648 -15.595 1.00 24.16 H new ATOM 0 HB3 ASP A 39 57.265 -78.991 -15.403 1.00 24.16 H new ATOM 622 N GLN A 40 53.979 -79.654 -13.862 1.00 11.60 N ATOM 623 CA GLN A 40 52.720 -78.933 -14.086 1.00 10.76 C ATOM 624 C GLN A 40 51.974 -78.667 -12.778 1.00 8.01 C ATOM 625 O GLN A 40 50.857 -78.149 -12.788 1.00 8.96 O ATOM 626 CB GLN A 40 51.818 -79.725 -15.038 1.00 11.14 C ATOM 627 CG GLN A 40 52.475 -79.812 -16.417 1.00 14.85 C ATOM 628 CD GLN A 40 52.537 -78.436 -17.072 1.00 16.11 C ATOM 629 OE1 GLN A 40 51.509 -77.886 -17.463 1.00 20.52 O ATOM 630 NE2 GLN A 40 53.692 -77.844 -17.216 1.00 18.16 N ATOM 0 H GLN A 40 53.876 -80.660 -13.727 1.00 11.60 H new ATOM 0 HA GLN A 40 52.973 -77.971 -14.532 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.646 -80.726 -14.643 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.844 -79.242 -15.118 1.00 11.14 H new ATOM 0 HG2 GLN A 40 53.481 -80.220 -16.321 1.00 14.85 H new ATOM 0 HG3 GLN A 40 51.912 -80.497 -17.051 1.00 14.85 H new ATOM 0 HE21 GLN A 40 54.544 -78.302 -16.891 1.00 18.16 H new ATOM 0 HE22 GLN A 40 53.742 -76.924 -17.653 1.00 18.16 H new ATOM 639 N GLN A 41 52.577 -79.055 -11.661 1.00 6.52 N ATOM 640 CA GLN A 41 51.939 -78.888 -10.348 1.00 3.87 C ATOM 641 C GLN A 41 52.571 -77.788 -9.491 1.00 4.79 C ATOM 642 O GLN A 41 53.793 -77.670 -9.403 1.00 6.34 O ATOM 643 CB GLN A 41 52.062 -80.197 -9.569 1.00 4.20 C ATOM 644 CG GLN A 41 51.178 -81.276 -10.181 1.00 3.20 C ATOM 645 CD GLN A 41 51.259 -82.522 -9.308 1.00 4.89 C ATOM 646 OE1 GLN A 41 50.387 -83.384 -9.366 1.00 5.21 O ATOM 647 NE2 GLN A 41 52.263 -82.659 -8.488 1.00 7.13 N ATOM 0 H GLN A 41 53.501 -79.486 -11.631 1.00 6.52 H new ATOM 0 HA GLN A 41 50.904 -78.607 -10.544 1.00 3.87 H new ATOM 0 HB2 GLN A 41 53.100 -80.529 -9.568 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.778 -80.035 -8.529 1.00 4.20 H new ATOM 0 HG2 GLN A 41 50.147 -80.928 -10.249 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.505 -81.503 -11.196 1.00 3.20 H new ATOM 0 HE21 GLN A 41 52.986 -81.941 -8.442 1.00 7.13 H new ATOM 0 HE22 GLN A 41 52.326 -83.484 -7.892 1.00 7.13 H new ATOM 656 N ARG A 42 51.706 -77.037 -8.803 1.00 5.73 N ATOM 657 CA ARG A 42 52.133 -75.991 -7.869 1.00 6.97 C ATOM 658 C ARG A 42 51.458 -76.256 -6.521 1.00 7.15 C ATOM 659 O ARG A 42 50.235 -76.321 -6.441 1.00 7.33 O ATOM 660 CB ARG A 42 51.739 -74.588 -8.368 1.00 13.23 C ATOM 661 CG ARG A 42 52.817 -74.037 -9.303 1.00 21.27 C ATOM 662 CD ARG A 42 52.409 -72.643 -9.784 1.00 26.14 C ATOM 663 NE ARG A 42 53.528 -71.996 -10.464 1.00 32.26 N ATOM 664 CZ ARG A 42 53.637 -70.670 -10.511 1.00 34.32 C ATOM 665 NH1 ARG A 42 52.610 -69.942 -10.856 1.00 36.39 N ATOM 666 NH2 ARG A 42 54.771 -70.098 -10.211 1.00 35.30 N ATOM 0 H ARG A 42 50.694 -77.136 -8.877 1.00 5.73 H new ATOM 0 HA ARG A 42 53.219 -76.018 -7.781 1.00 6.97 H new ATOM 0 HB2 ARG A 42 50.784 -74.635 -8.891 1.00 13.23 H new ATOM 0 HB3 ARG A 42 51.605 -73.917 -7.520 1.00 13.23 H new ATOM 0 HG2 ARG A 42 53.774 -73.989 -8.784 1.00 21.27 H new ATOM 0 HG3 ARG A 42 52.950 -74.703 -10.155 1.00 21.27 H new ATOM 0 HD2 ARG A 42 51.558 -72.719 -10.460 1.00 26.14 H new ATOM 0 HD3 ARG A 42 52.090 -72.037 -8.936 1.00 26.14 H new ATOM 0 HE ARG A 42 54.241 -72.572 -10.912 1.00 32.26 H new ATOM 0 HH11 ARG A 42 51.723 -70.389 -11.090 1.00 36.39 H new ATOM 0 HH12 ARG A 42 52.694 -68.926 -10.892 1.00 36.39 H new ATOM 0 HH21 ARG A 42 55.573 -70.667 -9.941 1.00 35.30 H new ATOM 0 HH22 ARG A 42 54.855 -69.082 -10.247 1.00 35.30 H new ATOM 680 N LEU A 43 52.250 -76.415 -5.462 1.00 4.65 N ATOM 681 CA LEU A 43 51.709 -76.680 -4.122 1.00 3.51 C ATOM 682 C LEU A 43 51.808 -75.437 -3.248 1.00 5.56 C ATOM 683 O LEU A 43 52.858 -74.802 -3.156 1.00 4.19 O ATOM 684 CB LEU A 43 52.473 -77.851 -3.486 1.00 3.74 C ATOM 685 CG LEU A 43 52.144 -79.189 -4.164 1.00 6.32 C ATOM 686 CD1 LEU A 43 53.101 -80.252 -3.617 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.698 -79.614 -3.841 1.00 6.41 C ATOM 0 H LEU A 43 53.268 -76.366 -5.502 1.00 4.65 H new ATOM 0 HA LEU A 43 50.655 -76.945 -4.208 1.00 3.51 H new ATOM 0 HB2 LEU A 43 53.545 -77.664 -3.554 1.00 3.74 H new ATOM 0 HB3 LEU A 43 52.227 -77.912 -2.426 1.00 3.74 H new ATOM 0 HG LEU A 43 52.250 -79.083 -5.244 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.885 -81.212 -4.086 1.00 9.55 H new ATOM 0 HD12 LEU A 43 54.129 -79.964 -3.837 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.971 -80.338 -2.538 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.480 -80.564 -4.329 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.584 -79.725 -2.763 1.00 6.41 H new ATOM 0 HD23 LEU A 43 50.006 -78.854 -4.203 1.00 6.41 H new ATOM 699 N ILE A 44 50.686 -75.099 -2.613 1.00 4.58 N ATOM 700 CA ILE A 44 50.606 -73.929 -1.739 1.00 5.55 C ATOM 701 C ILE A 44 50.140 -74.333 -0.342 1.00 5.46 C ATOM 702 O ILE A 44 49.202 -75.117 -0.181 1.00 6.04 O ATOM 703 CB ILE A 44 49.620 -72.892 -2.339 1.00 6.80 C ATOM 704 CG1 ILE A 44 50.304 -72.046 -3.451 1.00 10.31 C ATOM 705 CG2 ILE A 44 49.101 -71.937 -1.243 1.00 7.39 C ATOM 706 CD1 ILE A 44 50.112 -72.675 -4.835 1.00 13.90 C ATOM 0 H ILE A 44 49.814 -75.623 -2.689 1.00 4.58 H new ATOM 0 HA ILE A 44 51.598 -73.485 -1.661 1.00 5.55 H new ATOM 0 HB ILE A 44 48.788 -73.449 -2.769 1.00 6.80 H new ATOM 0 HG12 ILE A 44 49.890 -71.038 -3.448 1.00 10.31 H new ATOM 0 HG13 ILE A 44 51.369 -71.954 -3.237 1.00 10.31 H new ATOM 0 HG21 ILE A 44 48.411 -71.218 -1.684 1.00 7.39 H new ATOM 0 HG22 ILE A 44 48.584 -72.512 -0.475 1.00 7.39 H new ATOM 0 HG23 ILE A 44 49.941 -71.406 -0.795 1.00 7.39 H new ATOM 0 HD11 ILE A 44 50.603 -72.057 -5.587 1.00 13.90 H new ATOM 0 HD12 ILE A 44 50.549 -73.674 -4.845 1.00 13.90 H new ATOM 0 HD13 ILE A 44 49.048 -72.742 -5.060 1.00 13.90 H new ATOM 718 N PHE A 45 50.789 -73.746 0.660 1.00 6.75 N ATOM 719 CA PHE A 45 50.437 -73.986 2.055 1.00 4.70 C ATOM 720 C PHE A 45 50.497 -72.669 2.813 1.00 6.34 C ATOM 721 O PHE A 45 51.505 -71.963 2.777 1.00 5.45 O ATOM 722 CB PHE A 45 51.385 -75.005 2.689 1.00 5.51 C ATOM 723 CG PHE A 45 51.073 -75.133 4.160 1.00 5.98 C ATOM 724 CD1 PHE A 45 50.114 -76.054 4.598 1.00 5.87 C ATOM 725 CD2 PHE A 45 51.739 -74.322 5.087 1.00 6.86 C ATOM 726 CE1 PHE A 45 49.823 -76.164 5.963 1.00 6.64 C ATOM 727 CE2 PHE A 45 51.447 -74.433 6.452 1.00 6.68 C ATOM 728 CZ PHE A 45 50.489 -75.354 6.889 1.00 6.84 C ATOM 0 H PHE A 45 51.565 -73.097 0.530 1.00 6.75 H new ATOM 0 HA PHE A 45 49.428 -74.394 2.104 1.00 4.70 H new ATOM 0 HB2 PHE A 45 51.278 -75.972 2.198 1.00 5.51 H new ATOM 0 HB3 PHE A 45 52.419 -74.690 2.552 1.00 5.51 H new ATOM 0 HD1 PHE A 45 49.599 -76.679 3.884 1.00 5.87 H new ATOM 0 HD2 PHE A 45 52.478 -73.611 4.749 1.00 6.86 H new ATOM 0 HE1 PHE A 45 49.084 -76.875 6.301 1.00 6.64 H new ATOM 0 HE2 PHE A 45 51.961 -73.808 7.167 1.00 6.68 H new ATOM 0 HZ PHE A 45 50.263 -75.440 7.942 1.00 6.84 H new ATOM 738 N ALA A 46 49.414 -72.346 3.498 1.00 6.53 N ATOM 739 CA ALA A 46 49.338 -71.116 4.268 1.00 7.15 C ATOM 740 C ALA A 46 49.763 -69.906 3.437 1.00 9.00 C ATOM 741 O ALA A 46 50.382 -68.973 3.948 1.00 11.15 O ATOM 742 CB ALA A 46 50.192 -71.247 5.532 1.00 8.99 C ATOM 0 H ALA A 46 48.572 -72.920 3.537 1.00 6.53 H new ATOM 0 HA ALA A 46 48.300 -70.952 4.558 1.00 7.15 H new ATOM 0 HB1 ALA A 46 50.134 -70.323 6.108 1.00 8.99 H new ATOM 0 HB2 ALA A 46 49.823 -72.076 6.136 1.00 8.99 H new ATOM 0 HB3 ALA A 46 51.229 -71.435 5.253 1.00 8.99 H new ATOM 748 N GLY A 47 49.370 -69.909 2.161 1.00 9.35 N ATOM 749 CA GLY A 47 49.657 -68.780 1.275 1.00 11.68 C ATOM 750 C GLY A 47 51.060 -68.792 0.664 1.00 11.14 C ATOM 751 O GLY A 47 51.404 -67.873 -0.079 1.00 13.93 O ATOM 0 H GLY A 47 48.857 -70.673 1.722 1.00 9.35 H new ATOM 0 HA2 GLY A 47 48.924 -68.772 0.469 1.00 11.68 H new ATOM 0 HA3 GLY A 47 49.526 -67.854 1.834 1.00 11.68 H new ATOM 755 N LYS A 48 51.887 -69.800 0.976 1.00 10.47 N ATOM 756 CA LYS A 48 53.258 -69.849 0.436 1.00 8.82 C ATOM 757 C LYS A 48 53.442 -71.009 -0.545 1.00 7.68 C ATOM 758 O LYS A 48 52.975 -72.121 -0.302 1.00 6.47 O ATOM 759 CB LYS A 48 54.256 -70.039 1.578 1.00 9.74 C ATOM 760 CG LYS A 48 54.106 -68.910 2.603 1.00 14.14 C ATOM 761 CD LYS A 48 55.111 -69.097 3.747 1.00 16.32 C ATOM 762 CE LYS A 48 54.702 -70.279 4.632 1.00 20.04 C ATOM 763 NZ LYS A 48 55.420 -70.190 5.935 1.00 23.92 N ATOM 0 H LYS A 48 51.640 -70.579 1.587 1.00 10.47 H new ATOM 0 HA LYS A 48 53.432 -68.909 -0.087 1.00 8.82 H new ATOM 0 HB2 LYS A 48 54.090 -71.002 2.060 1.00 9.74 H new ATOM 0 HB3 LYS A 48 55.272 -70.051 1.185 1.00 9.74 H new ATOM 0 HG2 LYS A 48 54.269 -67.946 2.120 1.00 14.14 H new ATOM 0 HG3 LYS A 48 53.091 -68.901 2.999 1.00 14.14 H new ATOM 0 HD2 LYS A 48 56.107 -69.268 3.339 1.00 16.32 H new ATOM 0 HD3 LYS A 48 55.163 -68.188 4.346 1.00 16.32 H new ATOM 0 HE2 LYS A 48 53.624 -70.270 4.796 1.00 20.04 H new ATOM 0 HE3 LYS A 48 54.941 -71.220 4.136 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 55.145 -70.991 6.538 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 56.446 -70.219 5.769 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 55.171 -69.298 6.408 1.00 23.92 H new ATOM 777 N GLN A 49 54.158 -70.744 -1.638 1.00 8.89 N ATOM 778 CA GLN A 49 54.439 -71.779 -2.634 1.00 7.18 C ATOM 779 C GLN A 49 55.575 -72.650 -2.094 1.00 8.23 C ATOM 780 O GLN A 49 56.609 -72.132 -1.674 1.00 9.70 O ATOM 781 CB GLN A 49 54.840 -71.112 -3.955 1.00 11.67 C ATOM 782 CG GLN A 49 54.689 -72.097 -5.120 1.00 15.82 C ATOM 783 CD GLN A 49 54.866 -71.364 -6.447 1.00 20.21 C ATOM 784 OE1 GLN A 49 54.965 -71.999 -7.498 1.00 23.23 O ATOM 785 NE2 GLN A 49 54.911 -70.059 -6.465 1.00 20.67 N ATOM 0 H GLN A 49 54.552 -69.829 -1.856 1.00 8.89 H new ATOM 0 HA GLN A 49 53.561 -72.398 -2.820 1.00 7.18 H new ATOM 0 HB2 GLN A 49 54.218 -70.234 -4.130 1.00 11.67 H new ATOM 0 HB3 GLN A 49 55.872 -70.765 -3.896 1.00 11.67 H new ATOM 0 HG2 GLN A 49 55.429 -72.893 -5.033 1.00 15.82 H new ATOM 0 HG3 GLN A 49 53.707 -72.569 -5.084 1.00 15.82 H new ATOM 0 HE21 GLN A 49 54.829 -69.534 -5.594 1.00 20.67 H new ATOM 0 HE22 GLN A 49 55.028 -69.565 -7.350 1.00 20.67 H new ATOM 794 N LEU A 50 55.381 -73.968 -2.089 1.00 6.51 N ATOM 795 CA LEU A 50 56.408 -74.881 -1.576 1.00 7.41 C ATOM 796 C LEU A 50 57.420 -75.249 -2.665 1.00 8.27 C ATOM 797 O LEU A 50 57.048 -75.519 -3.807 1.00 8.34 O ATOM 798 CB LEU A 50 55.748 -76.151 -1.037 1.00 7.13 C ATOM 799 CG LEU A 50 54.645 -75.782 -0.041 1.00 7.53 C ATOM 800 CD1 LEU A 50 53.941 -77.060 0.427 1.00 8.14 C ATOM 801 CD2 LEU A 50 55.251 -75.048 1.166 1.00 9.11 C ATOM 0 H LEU A 50 54.535 -74.425 -2.429 1.00 6.51 H new ATOM 0 HA LEU A 50 56.942 -74.373 -0.773 1.00 7.41 H new ATOM 0 HB2 LEU A 50 55.329 -76.731 -1.859 1.00 7.13 H new ATOM 0 HB3 LEU A 50 56.493 -76.781 -0.551 1.00 7.13 H new ATOM 0 HG LEU A 50 53.924 -75.124 -0.526 1.00 7.53 H new ATOM 0 HD11 LEU A 50 53.154 -76.803 1.137 1.00 8.14 H new ATOM 0 HD12 LEU A 50 53.503 -77.569 -0.431 1.00 8.14 H new ATOM 0 HD13 LEU A 50 54.664 -77.718 0.909 1.00 8.14 H new ATOM 0 HD21 LEU A 50 54.460 -74.789 1.869 1.00 9.11 H new ATOM 0 HD22 LEU A 50 55.977 -75.695 1.658 1.00 9.11 H new ATOM 0 HD23 LEU A 50 55.747 -74.138 0.827 1.00 9.11 H new ATOM 813 N GLU A 51 58.711 -75.239 -2.299 1.00 9.43 N ATOM 814 CA GLU A 51 59.780 -75.556 -3.261 1.00 11.90 C ATOM 815 C GLU A 51 60.141 -77.047 -3.254 1.00 11.49 C ATOM 816 O GLU A 51 60.015 -77.724 -2.237 1.00 9.88 O ATOM 817 CB GLU A 51 61.023 -74.716 -2.960 1.00 16.56 C ATOM 818 CG GLU A 51 60.745 -73.252 -3.309 1.00 26.06 C ATOM 819 CD GLU A 51 61.976 -72.400 -3.014 1.00 29.86 C ATOM 820 OE1 GLU A 51 62.894 -72.914 -2.397 1.00 32.13 O ATOM 821 OE2 GLU A 51 61.981 -71.245 -3.407 1.00 33.44 O ATOM 0 H GLU A 51 59.038 -75.018 -1.358 1.00 9.43 H new ATOM 0 HA GLU A 51 59.405 -75.314 -4.256 1.00 11.90 H new ATOM 0 HB2 GLU A 51 61.290 -74.806 -1.907 1.00 16.56 H new ATOM 0 HB3 GLU A 51 61.872 -75.084 -3.536 1.00 16.56 H new ATOM 0 HG2 GLU A 51 60.477 -73.166 -4.362 1.00 26.06 H new ATOM 0 HG3 GLU A 51 59.894 -72.888 -2.733 1.00 26.06 H new ATOM 828 N ASP A 52 60.564 -77.540 -4.427 1.00 12.71 N ATOM 829 CA ASP A 52 60.910 -78.960 -4.591 1.00 16.56 C ATOM 830 C ASP A 52 62.162 -79.384 -3.801 1.00 15.83 C ATOM 831 O ASP A 52 62.352 -80.574 -3.548 1.00 17.21 O ATOM 832 CB ASP A 52 61.119 -79.266 -6.077 1.00 21.05 C ATOM 833 CG ASP A 52 59.789 -79.208 -6.817 1.00 25.12 C ATOM 834 OD1 ASP A 52 59.386 -78.119 -7.189 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.203 -80.259 -7.014 1.00 25.82 O ATOM 0 H ASP A 52 60.675 -76.980 -5.272 1.00 12.71 H new ATOM 0 HA ASP A 52 60.075 -79.533 -4.187 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.816 -78.548 -6.509 1.00 21.05 H new ATOM 0 HB3 ASP A 52 61.566 -80.253 -6.193 1.00 21.05 H new ATOM 840 N GLY A 53 63.021 -78.439 -3.428 1.00 15.00 N ATOM 841 CA GLY A 53 64.252 -78.777 -2.688 1.00 11.77 C ATOM 842 C GLY A 53 64.086 -78.693 -1.162 1.00 11.10 C ATOM 843 O GLY A 53 65.050 -78.912 -0.428 1.00 11.25 O ATOM 0 H GLY A 53 62.898 -77.444 -3.618 1.00 15.00 H new ATOM 0 HA2 GLY A 53 64.564 -79.786 -2.958 1.00 11.77 H new ATOM 0 HA3 GLY A 53 65.051 -78.103 -2.997 1.00 11.77 H new ATOM 847 N ARG A 54 62.885 -78.390 -0.685 1.00 8.53 N ATOM 848 CA ARG A 54 62.644 -78.298 0.773 1.00 9.05 C ATOM 849 C ARG A 54 61.746 -79.448 1.268 1.00 8.96 C ATOM 850 O ARG A 54 61.127 -80.146 0.466 1.00 11.60 O ATOM 851 CB ARG A 54 61.971 -76.963 1.080 1.00 7.97 C ATOM 852 CG ARG A 54 62.863 -75.762 0.709 1.00 9.62 C ATOM 853 CD ARG A 54 64.234 -75.842 1.393 1.00 12.20 C ATOM 854 NE ARG A 54 64.893 -74.540 1.344 1.00 18.23 N ATOM 855 CZ ARG A 54 64.598 -73.584 2.219 1.00 22.08 C ATOM 856 NH1 ARG A 54 64.329 -73.894 3.458 1.00 23.38 N ATOM 857 NH2 ARG A 54 64.578 -72.336 1.840 1.00 25.50 N ATOM 0 H ARG A 54 62.067 -78.204 -1.265 1.00 8.53 H new ATOM 0 HA ARG A 54 63.602 -78.372 1.287 1.00 9.05 H new ATOM 0 HB2 ARG A 54 61.031 -76.898 0.533 1.00 7.97 H new ATOM 0 HB3 ARG A 54 61.726 -76.917 2.141 1.00 7.97 H new ATOM 0 HG2 ARG A 54 62.997 -75.728 -0.372 1.00 9.62 H new ATOM 0 HG3 ARG A 54 62.366 -74.836 0.998 1.00 9.62 H new ATOM 0 HD2 ARG A 54 64.115 -76.160 2.429 1.00 12.20 H new ATOM 0 HD3 ARG A 54 64.853 -76.591 0.899 1.00 12.20 H new ATOM 0 HE ARG A 54 65.593 -74.361 0.624 1.00 18.23 H new ATOM 0 HH11 ARG A 54 64.345 -74.870 3.755 1.00 23.38 H new ATOM 0 HH12 ARG A 54 64.103 -73.160 4.130 1.00 23.38 H new ATOM 0 HH21 ARG A 54 64.789 -72.094 0.872 1.00 25.50 H new ATOM 0 HH22 ARG A 54 64.352 -71.603 2.512 1.00 25.50 H new ATOM 871 N THR A 55 61.683 -79.641 2.606 1.00 9.05 N ATOM 872 CA THR A 55 60.851 -80.708 3.206 1.00 9.03 C ATOM 873 C THR A 55 59.609 -80.150 3.903 1.00 8.15 C ATOM 874 O THR A 55 59.494 -78.951 4.153 1.00 5.91 O ATOM 875 CB THR A 55 61.617 -81.513 4.266 1.00 11.15 C ATOM 876 OG1 THR A 55 61.960 -80.670 5.354 1.00 11.95 O ATOM 877 CG2 THR A 55 62.887 -82.117 3.662 1.00 11.71 C ATOM 0 H THR A 55 62.194 -79.077 3.285 1.00 9.05 H new ATOM 0 HA THR A 55 60.569 -81.344 2.367 1.00 9.03 H new ATOM 0 HB THR A 55 60.977 -82.321 4.621 1.00 11.15 H new ATOM 0 HG1 THR A 55 62.465 -79.898 5.023 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.419 -82.684 4.426 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.619 -82.779 2.839 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.529 -81.318 3.291 1.00 11.71 H new ATOM 885 N LEU A 56 58.696 -81.071 4.231 1.00 6.91 N ATOM 886 CA LEU A 56 57.454 -80.714 4.930 1.00 8.29 C ATOM 887 C LEU A 56 57.752 -80.067 6.281 1.00 8.05 C ATOM 888 O LEU A 56 57.088 -79.102 6.662 1.00 10.17 O ATOM 889 CB LEU A 56 56.591 -81.961 5.180 1.00 6.60 C ATOM 890 CG LEU A 56 56.181 -82.626 3.863 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.505 -83.963 4.179 1.00 9.85 C ATOM 892 CD2 LEU A 56 55.191 -81.736 3.099 1.00 8.64 C ATOM 0 H LEU A 56 58.792 -82.065 4.025 1.00 6.91 H new ATOM 0 HA LEU A 56 56.919 -80.010 4.292 1.00 8.29 H new ATOM 0 HB2 LEU A 56 57.145 -82.673 5.792 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.700 -81.683 5.742 1.00 6.60 H new ATOM 0 HG LEU A 56 57.067 -82.779 3.247 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.207 -84.449 3.250 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.202 -84.605 4.717 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.623 -83.788 4.796 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.910 -82.223 2.165 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.301 -81.576 3.708 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.658 -80.776 2.881 1.00 8.64 H new ATOM 904 N SER A 57 58.727 -80.599 7.025 1.00 8.92 N ATOM 905 CA SER A 57 59.030 -80.034 8.338 1.00 9.00 C ATOM 906 C SER A 57 59.466 -78.573 8.242 1.00 9.44 C ATOM 907 O SER A 57 59.212 -77.786 9.155 1.00 10.91 O ATOM 908 CB SER A 57 60.089 -80.856 9.073 1.00 10.32 C ATOM 909 OG SER A 57 60.466 -80.177 10.263 1.00 13.59 O ATOM 0 H SER A 57 59.302 -81.395 6.750 1.00 8.92 H new ATOM 0 HA SER A 57 58.106 -80.072 8.914 1.00 9.00 H new ATOM 0 HB2 SER A 57 59.697 -81.844 9.313 1.00 10.32 H new ATOM 0 HB3 SER A 57 60.959 -81.005 8.434 1.00 10.32 H new ATOM 0 HG SER A 57 61.144 -80.702 10.738 1.00 13.59 H new ATOM 915 N ASP A 58 60.115 -78.209 7.150 1.00 9.11 N ATOM 916 CA ASP A 58 60.564 -76.829 6.981 1.00 7.91 C ATOM 917 C ASP A 58 59.380 -75.862 6.965 1.00 9.12 C ATOM 918 O ASP A 58 59.518 -74.703 7.354 1.00 8.61 O ATOM 919 CB ASP A 58 61.367 -76.683 5.686 1.00 8.41 C ATOM 920 CG ASP A 58 62.731 -77.348 5.833 1.00 11.50 C ATOM 921 OD1 ASP A 58 63.653 -76.673 6.261 1.00 11.70 O ATOM 922 OD2 ASP A 58 62.835 -78.518 5.517 1.00 10.05 O ATOM 0 H ASP A 58 60.342 -78.834 6.376 1.00 9.11 H new ATOM 0 HA ASP A 58 61.202 -76.581 7.829 1.00 7.91 H new ATOM 0 HB2 ASP A 58 60.821 -77.136 4.858 1.00 8.41 H new ATOM 0 HB3 ASP A 58 61.493 -75.627 5.445 1.00 8.41 H new ATOM 927 N TYR A 59 58.215 -76.336 6.509 1.00 7.97 N ATOM 928 CA TYR A 59 57.018 -75.485 6.447 1.00 8.45 C ATOM 929 C TYR A 59 56.095 -75.723 7.639 1.00 10.98 C ATOM 930 O TYR A 59 54.945 -75.282 7.639 1.00 12.95 O ATOM 931 CB TYR A 59 56.229 -75.741 5.165 1.00 7.94 C ATOM 932 CG TYR A 59 57.023 -75.250 3.989 1.00 6.91 C ATOM 933 CD1 TYR A 59 56.897 -73.925 3.554 1.00 6.98 C ATOM 934 CD2 TYR A 59 57.895 -76.121 3.337 1.00 4.59 C ATOM 935 CE1 TYR A 59 57.647 -73.476 2.462 1.00 6.52 C ATOM 936 CE2 TYR A 59 58.643 -75.674 2.251 1.00 5.39 C ATOM 937 CZ TYR A 59 58.522 -74.352 1.809 1.00 6.76 C ATOM 938 OH TYR A 59 59.266 -73.913 0.733 1.00 7.63 O ATOM 0 H TYR A 59 58.074 -77.292 6.181 1.00 7.97 H new ATOM 0 HA TYR A 59 57.369 -74.453 6.466 1.00 8.45 H new ATOM 0 HB2 TYR A 59 56.020 -76.806 5.059 1.00 7.94 H new ATOM 0 HB3 TYR A 59 55.267 -75.230 5.208 1.00 7.94 H new ATOM 0 HD1 TYR A 59 56.222 -73.251 4.061 1.00 6.98 H new ATOM 0 HD2 TYR A 59 57.990 -77.143 3.674 1.00 4.59 H new ATOM 0 HE1 TYR A 59 57.551 -72.455 2.123 1.00 6.52 H new ATOM 0 HE2 TYR A 59 59.319 -76.350 1.748 1.00 5.39 H new ATOM 0 HH TYR A 59 59.985 -74.553 0.549 1.00 7.63 H new ATOM 948 N ASN A 60 56.602 -76.415 8.659 1.00 12.38 N ATOM 949 CA ASN A 60 55.841 -76.713 9.867 1.00 13.94 C ATOM 950 C ASN A 60 54.472 -77.310 9.549 1.00 14.16 C ATOM 951 O ASN A 60 53.484 -77.006 10.216 1.00 14.26 O ATOM 952 CB ASN A 60 55.674 -75.452 10.715 1.00 19.23 C ATOM 953 CG ASN A 60 57.016 -75.054 11.321 1.00 22.65 C ATOM 954 OD1 ASN A 60 57.844 -75.916 11.617 1.00 25.45 O ATOM 955 ND2 ASN A 60 57.287 -73.792 11.511 1.00 24.09 N ATOM 0 H ASN A 60 57.553 -76.784 8.669 1.00 12.38 H new ATOM 0 HA ASN A 60 56.405 -77.457 10.429 1.00 13.94 H new ATOM 0 HB2 ASN A 60 55.287 -74.639 10.101 1.00 19.23 H new ATOM 0 HB3 ASN A 60 54.946 -75.629 11.506 1.00 19.23 H new ATOM 0 HD21 ASN A 60 58.187 -73.517 11.906 1.00 24.09 H new ATOM 0 HD22 ASN A 60 56.599 -73.080 11.265 1.00 24.09 H new ATOM 962 N ILE A 61 54.426 -78.188 8.550 1.00 11.08 N ATOM 963 CA ILE A 61 53.174 -78.848 8.187 1.00 11.78 C ATOM 964 C ILE A 61 52.967 -80.010 9.154 1.00 13.74 C ATOM 965 O ILE A 61 53.834 -80.873 9.293 1.00 14.60 O ATOM 966 CB ILE A 61 53.238 -79.295 6.718 1.00 11.80 C ATOM 967 CG1 ILE A 61 53.302 -78.048 5.838 1.00 11.56 C ATOM 968 CG2 ILE A 61 51.995 -80.105 6.342 1.00 13.29 C ATOM 969 CD1 ILE A 61 53.544 -78.440 4.380 1.00 11.42 C ATOM 0 H ILE A 61 55.230 -78.457 7.983 1.00 11.08 H new ATOM 0 HA ILE A 61 52.320 -78.176 8.269 1.00 11.78 H new ATOM 0 HB ILE A 61 54.118 -79.921 6.573 1.00 11.80 H new ATOM 0 HG12 ILE A 61 52.371 -77.487 5.921 1.00 11.56 H new ATOM 0 HG13 ILE A 61 54.101 -77.392 6.183 1.00 11.56 H new ATOM 0 HG21 ILE A 61 52.062 -80.411 5.298 1.00 13.29 H new ATOM 0 HG22 ILE A 61 51.932 -80.990 6.976 1.00 13.29 H new ATOM 0 HG23 ILE A 61 51.105 -79.492 6.484 1.00 13.29 H new ATOM 0 HD11 ILE A 61 53.587 -77.542 3.764 1.00 11.42 H new ATOM 0 HD12 ILE A 61 54.487 -78.981 4.300 1.00 11.42 H new ATOM 0 HD13 ILE A 61 52.730 -79.078 4.035 1.00 11.42 H new ATOM 981 N GLN A 62 51.831 -79.999 9.866 1.00 13.97 N ATOM 982 CA GLN A 62 51.525 -81.021 10.875 1.00 15.52 C ATOM 983 C GLN A 62 50.445 -81.992 10.402 1.00 13.94 C ATOM 984 O GLN A 62 49.803 -81.785 9.371 1.00 12.15 O ATOM 985 CB GLN A 62 51.055 -80.320 12.153 1.00 19.53 C ATOM 986 CG GLN A 62 52.208 -79.516 12.760 1.00 26.38 C ATOM 987 CD GLN A 62 53.308 -80.457 13.239 1.00 30.61 C ATOM 988 OE1 GLN A 62 54.493 -80.166 13.071 1.00 33.23 O ATOM 989 NE2 GLN A 62 52.985 -81.575 13.830 1.00 32.71 N ATOM 0 H GLN A 62 51.106 -79.289 9.760 1.00 13.97 H new ATOM 0 HA GLN A 62 52.429 -81.602 11.057 1.00 15.52 H new ATOM 0 HB2 GLN A 62 50.218 -79.659 11.929 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.696 -81.057 12.871 1.00 19.53 H new ATOM 0 HG2 GLN A 62 52.608 -78.823 12.019 1.00 26.38 H new ATOM 0 HG3 GLN A 62 51.844 -78.916 13.594 1.00 26.38 H new ATOM 0 HE21 GLN A 62 52.003 -81.814 13.968 1.00 32.71 H new ATOM 0 HE22 GLN A 62 53.715 -82.210 14.154 1.00 32.71 H new ATOM 998 N LYS A 63 50.280 -83.070 11.169 1.00 11.73 N ATOM 999 CA LYS A 63 49.297 -84.081 10.800 1.00 11.97 C ATOM 1000 C LYS A 63 47.929 -83.462 10.529 1.00 10.41 C ATOM 1001 O LYS A 63 47.508 -82.519 11.199 1.00 9.59 O ATOM 1002 CB LYS A 63 49.146 -85.169 11.866 1.00 13.73 C ATOM 1003 CG LYS A 63 48.697 -84.529 13.182 1.00 16.98 C ATOM 1004 CD LYS A 63 48.785 -85.562 14.308 1.00 20.19 C ATOM 1005 CE LYS A 63 48.210 -84.966 15.594 1.00 23.42 C ATOM 1006 NZ LYS A 63 48.270 -85.983 16.682 1.00 25.97 N ATOM 0 H LYS A 63 50.800 -83.261 12.026 1.00 11.73 H new ATOM 0 HA LYS A 63 49.676 -84.540 9.887 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.417 -85.912 11.543 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.093 -85.691 12.006 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.325 -83.669 13.413 1.00 16.98 H new ATOM 0 HG3 LYS A 63 47.675 -84.162 13.090 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.234 -86.462 14.034 1.00 20.19 H new ATOM 0 HD3 LYS A 63 49.822 -85.858 14.464 1.00 20.19 H new ATOM 0 HE2 LYS A 63 48.774 -84.078 15.880 1.00 23.42 H new ATOM 0 HE3 LYS A 63 47.179 -84.651 15.432 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 47.879 -85.579 17.557 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 47.714 -86.818 16.408 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 49.259 -86.263 16.841 1.00 25.97 H new ATOM 1020 N GLU A 64 47.261 -84.001 9.514 1.00 10.04 N ATOM 1021 CA GLU A 64 45.946 -83.528 9.086 1.00 10.94 C ATOM 1022 C GLU A 64 45.989 -82.123 8.499 1.00 9.74 C ATOM 1023 O GLU A 64 44.960 -81.452 8.424 1.00 9.42 O ATOM 1024 CB GLU A 64 44.879 -83.564 10.182 1.00 18.31 C ATOM 1025 CG GLU A 64 44.629 -85.014 10.602 1.00 24.16 C ATOM 1026 CD GLU A 64 43.403 -85.080 11.507 1.00 29.00 C ATOM 1027 OE1 GLU A 64 42.932 -84.029 11.911 1.00 31.72 O ATOM 1028 OE2 GLU A 64 42.954 -86.180 11.783 1.00 32.61 O ATOM 0 H GLU A 64 47.617 -84.781 8.962 1.00 10.04 H new ATOM 0 HA GLU A 64 45.660 -84.241 8.313 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.204 -82.976 11.040 1.00 18.31 H new ATOM 0 HB3 GLU A 64 43.955 -83.114 9.820 1.00 18.31 H new ATOM 0 HG2 GLU A 64 44.477 -85.637 9.721 1.00 24.16 H new ATOM 0 HG3 GLU A 64 45.501 -85.407 11.125 1.00 24.16 H new ATOM 1035 N SER A 65 47.147 -81.703 8.013 1.00 6.85 N ATOM 1036 CA SER A 65 47.270 -80.410 7.356 1.00 6.90 C ATOM 1037 C SER A 65 46.700 -80.539 5.952 1.00 4.72 C ATOM 1038 O SER A 65 46.774 -81.605 5.341 1.00 3.91 O ATOM 1039 CB SER A 65 48.734 -79.992 7.291 1.00 7.28 C ATOM 1040 OG SER A 65 49.181 -79.621 8.588 1.00 10.56 O ATOM 0 H SER A 65 48.014 -82.238 8.061 1.00 6.85 H new ATOM 0 HA SER A 65 46.725 -79.650 7.916 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.340 -80.812 6.907 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.854 -79.157 6.601 1.00 7.28 H new ATOM 0 HG SER A 65 49.030 -80.362 9.211 1.00 10.56 H new ATOM 1046 N THR A 66 46.138 -79.442 5.430 1.00 4.48 N ATOM 1047 CA THR A 66 45.567 -79.434 4.083 1.00 3.80 C ATOM 1048 C THR A 66 46.390 -78.513 3.182 1.00 4.60 C ATOM 1049 O THR A 66 46.539 -77.323 3.458 1.00 5.33 O ATOM 1050 CB THR A 66 44.118 -78.937 4.120 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.346 -79.797 4.946 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.537 -78.934 2.704 1.00 3.40 C ATOM 0 H THR A 66 46.068 -78.551 5.921 1.00 4.48 H new ATOM 0 HA THR A 66 45.586 -80.451 3.691 1.00 3.80 H new ATOM 0 HB THR A 66 44.093 -77.924 4.522 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.419 -79.480 4.972 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.507 -78.580 2.734 1.00 3.40 H new ATOM 0 HG22 THR A 66 44.129 -78.274 2.069 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.561 -79.945 2.299 1.00 3.40 H new ATOM 1060 N LEU A 67 46.879 -79.073 2.078 1.00 4.17 N ATOM 1061 CA LEU A 67 47.641 -78.307 1.093 1.00 3.85 C ATOM 1062 C LEU A 67 46.729 -78.050 -0.092 1.00 3.80 C ATOM 1063 O LEU A 67 45.745 -78.762 -0.302 1.00 5.54 O ATOM 1064 CB LEU A 67 48.862 -79.088 0.600 1.00 7.18 C ATOM 1065 CG LEU A 67 49.737 -79.558 1.779 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.261 -80.915 2.316 1.00 8.12 C ATOM 1067 CD2 LEU A 67 51.192 -79.694 1.316 1.00 11.66 C ATOM 0 H LEU A 67 46.761 -80.058 1.842 1.00 4.17 H new ATOM 0 HA LEU A 67 47.989 -77.382 1.552 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.535 -79.951 0.020 1.00 7.18 H new ATOM 0 HB3 LEU A 67 49.453 -78.461 -0.067 1.00 7.18 H new ATOM 0 HG LEU A 67 49.658 -78.817 2.574 1.00 9.67 H new ATOM 0 HD11 LEU A 67 49.897 -81.221 3.147 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.230 -80.829 2.660 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.317 -81.660 1.523 1.00 8.12 H new ATOM 0 HD21 LEU A 67 51.810 -80.026 2.150 1.00 11.66 H new ATOM 0 HD22 LEU A 67 51.250 -80.424 0.508 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.552 -78.729 0.960 1.00 11.66 H new ATOM 1079 N HIS A 68 47.072 -77.029 -0.879 1.00 2.94 N ATOM 1080 CA HIS A 68 46.300 -76.669 -2.065 1.00 4.17 C ATOM 1081 C HIS A 68 47.148 -76.910 -3.307 1.00 5.32 C ATOM 1082 O HIS A 68 48.310 -76.510 -3.360 1.00 7.70 O ATOM 1083 CB HIS A 68 45.913 -75.192 -1.988 1.00 5.57 C ATOM 1084 CG HIS A 68 44.945 -74.986 -0.857 1.00 9.95 C ATOM 1085 ND1 HIS A 68 45.372 -74.711 0.433 1.00 13.74 N ATOM 1086 CD2 HIS A 68 43.573 -75.012 -0.800 1.00 12.79 C ATOM 1087 CE1 HIS A 68 44.279 -74.584 1.204 1.00 14.75 C ATOM 1088 NE2 HIS A 68 43.154 -74.758 0.503 1.00 16.30 N ATOM 0 H HIS A 68 47.884 -76.435 -0.713 1.00 2.94 H new ATOM 0 HA HIS A 68 45.397 -77.278 -2.116 1.00 4.17 H new ATOM 0 HB2 HIS A 68 46.802 -74.580 -1.836 1.00 5.57 H new ATOM 0 HB3 HIS A 68 45.463 -74.873 -2.928 1.00 5.57 H new ATOM 0 HD2 HIS A 68 42.919 -75.201 -1.638 1.00 12.79 H new ATOM 0 HE1 HIS A 68 44.306 -74.368 2.262 1.00 14.75 H new ATOM 0 HE2 HIS A 68 42.195 -74.714 0.848 1.00 16.30 H new ATOM 1096 N LEU A 69 46.563 -77.563 -4.309 1.00 5.29 N ATOM 1097 CA LEU A 69 47.274 -77.853 -5.556 1.00 3.97 C ATOM 1098 C LEU A 69 46.746 -76.955 -6.670 1.00 5.07 C ATOM 1099 O LEU A 69 45.536 -76.796 -6.833 1.00 4.34 O ATOM 1100 CB LEU A 69 47.074 -79.330 -5.944 1.00 6.08 C ATOM 1101 CG LEU A 69 47.604 -79.635 -7.351 1.00 7.37 C ATOM 1102 CD1 LEU A 69 49.096 -79.316 -7.455 1.00 6.87 C ATOM 1103 CD2 LEU A 69 47.397 -81.122 -7.647 1.00 9.96 C ATOM 0 H LEU A 69 45.601 -77.901 -4.284 1.00 5.29 H new ATOM 0 HA LEU A 69 48.337 -77.663 -5.411 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.583 -79.966 -5.220 1.00 6.08 H new ATOM 0 HB3 LEU A 69 46.013 -79.576 -5.895 1.00 6.08 H new ATOM 0 HG LEU A 69 47.063 -79.018 -8.068 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.447 -79.541 -8.462 1.00 6.87 H new ATOM 0 HD12 LEU A 69 49.258 -78.259 -7.242 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.648 -79.920 -6.735 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.771 -81.350 -8.645 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.938 -81.718 -6.912 1.00 9.96 H new ATOM 0 HD23 LEU A 69 46.334 -81.359 -7.594 1.00 9.96 H new ATOM 1115 N VAL A 70 47.674 -76.382 -7.455 1.00 4.29 N ATOM 1116 CA VAL A 70 47.363 -75.509 -8.584 1.00 6.26 C ATOM 1117 C VAL A 70 47.941 -76.156 -9.835 1.00 9.22 C ATOM 1118 O VAL A 70 49.027 -76.733 -9.814 1.00 9.36 O ATOM 1119 CB VAL A 70 47.974 -74.126 -8.322 1.00 8.69 C ATOM 1120 CG1 VAL A 70 48.248 -73.368 -9.630 1.00 9.76 C ATOM 1121 CG2 VAL A 70 47.026 -73.298 -7.464 1.00 8.54 C ATOM 0 H VAL A 70 48.675 -76.519 -7.315 1.00 4.29 H new ATOM 0 HA VAL A 70 46.289 -75.377 -8.716 1.00 6.26 H new ATOM 0 HB VAL A 70 48.922 -74.279 -7.806 1.00 8.69 H new ATOM 0 HG11 VAL A 70 48.680 -72.394 -9.402 1.00 9.76 H new ATOM 0 HG12 VAL A 70 48.945 -73.940 -10.243 1.00 9.76 H new ATOM 0 HG13 VAL A 70 47.313 -73.232 -10.174 1.00 9.76 H new ATOM 0 HG21 VAL A 70 47.464 -72.317 -7.281 1.00 8.54 H new ATOM 0 HG22 VAL A 70 46.075 -73.179 -7.983 1.00 8.54 H new ATOM 0 HG23 VAL A 70 46.860 -73.804 -6.513 1.00 8.54 H new ATOM 1131 N LEU A 71 47.178 -76.076 -10.910 1.00 12.71 N ATOM 1132 CA LEU A 71 47.566 -76.677 -12.187 1.00 16.06 C ATOM 1133 C LEU A 71 48.039 -75.624 -13.179 1.00 18.09 C ATOM 1134 O LEU A 71 47.524 -74.506 -13.216 1.00 19.26 O ATOM 1135 CB LEU A 71 46.371 -77.423 -12.784 1.00 17.10 C ATOM 1136 CG LEU A 71 45.816 -78.426 -11.765 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.622 -79.161 -12.382 1.00 17.51 C ATOM 1138 CD2 LEU A 71 46.903 -79.444 -11.379 1.00 19.57 C ATOM 0 H LEU A 71 46.277 -75.598 -10.930 1.00 12.71 H new ATOM 0 HA LEU A 71 48.389 -77.366 -11.997 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.594 -76.713 -13.068 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.674 -77.945 -13.692 1.00 17.10 H new ATOM 0 HG LEU A 71 45.499 -77.891 -10.870 1.00 19.37 H new ATOM 0 HD11 LEU A 71 44.223 -79.876 -11.662 1.00 17.51 H new ATOM 0 HD12 LEU A 71 43.848 -78.440 -12.645 1.00 17.51 H new ATOM 0 HD13 LEU A 71 44.944 -79.691 -13.278 1.00 17.51 H new ATOM 0 HD21 LEU A 71 46.498 -80.151 -10.655 1.00 19.57 H new ATOM 0 HD22 LEU A 71 47.230 -79.982 -12.269 1.00 19.57 H new ATOM 0 HD23 LEU A 71 47.752 -78.921 -10.939 1.00 19.57 H new ATOM 1150 N ARG A 72 49.020 -76.007 -13.994 1.00 21.47 N ATOM 1151 CA ARG A 72 49.578 -75.122 -15.016 1.00 25.83 C ATOM 1152 C ARG A 72 49.387 -75.741 -16.396 1.00 27.74 C ATOM 1153 O ARG A 72 49.550 -76.948 -16.566 1.00 30.65 O ATOM 1154 CB ARG A 72 51.065 -74.919 -14.763 1.00 28.49 C ATOM 1155 CG ARG A 72 51.246 -74.073 -13.509 1.00 31.79 C ATOM 1156 CD ARG A 72 52.731 -73.887 -13.244 1.00 34.05 C ATOM 1157 NE ARG A 72 53.372 -73.216 -14.368 1.00 35.08 N ATOM 1158 CZ ARG A 72 54.613 -72.750 -14.271 1.00 34.67 C ATOM 1159 NH1 ARG A 72 55.623 -73.576 -14.300 1.00 34.97 N ATOM 1160 NH2 ARG A 72 54.821 -71.468 -14.143 1.00 35.02 N ATOM 0 H ARG A 72 49.448 -76.932 -13.966 1.00 21.47 H new ATOM 0 HA ARG A 72 49.064 -74.162 -14.972 1.00 25.83 H new ATOM 0 HB2 ARG A 72 51.561 -75.882 -14.642 1.00 28.49 H new ATOM 0 HB3 ARG A 72 51.528 -74.427 -15.618 1.00 28.49 H new ATOM 0 HG2 ARG A 72 50.763 -73.104 -13.636 1.00 31.79 H new ATOM 0 HG3 ARG A 72 50.770 -74.558 -12.657 1.00 31.79 H new ATOM 0 HD2 ARG A 72 52.873 -73.302 -12.335 1.00 34.05 H new ATOM 0 HD3 ARG A 72 53.200 -74.856 -13.076 1.00 34.05 H new ATOM 0 HE ARG A 72 52.860 -73.102 -15.243 1.00 35.08 H new ATOM 0 HH11 ARG A 72 55.460 -74.578 -14.397 1.00 34.97 H new ATOM 0 HH12 ARG A 72 56.576 -73.219 -14.226 1.00 34.97 H new ATOM 0 HH21 ARG A 72 54.031 -70.823 -14.117 1.00 35.02 H new ATOM 0 HH22 ARG A 72 55.774 -71.111 -14.069 1.00 35.02 H new ATOM 1174 N LEU A 73 49.045 -74.914 -17.381 0.45 28.93 N ATOM 1175 CA LEU A 73 48.841 -75.396 -18.752 0.45 30.76 C ATOM 1176 C LEU A 73 49.759 -74.644 -19.711 0.45 32.18 C ATOM 1177 O LEU A 73 49.800 -73.414 -19.708 0.45 32.31 O ATOM 1178 CB LEU A 73 47.382 -75.169 -19.166 0.45 30.53 C ATOM 1179 CG LEU A 73 46.439 -75.974 -18.257 0.45 30.16 C ATOM 1180 CD1 LEU A 73 45.010 -75.451 -18.426 0.45 29.57 C ATOM 1181 CD2 LEU A 73 46.470 -77.465 -18.632 0.45 29.11 C ATOM 0 H LEU A 73 48.903 -73.911 -17.260 0.45 28.93 H new ATOM 0 HA LEU A 73 49.072 -76.460 -18.791 0.45 30.76 H new ATOM 0 HB2 LEU A 73 47.140 -74.108 -19.104 0.45 30.53 H new ATOM 0 HB3 LEU A 73 47.241 -75.468 -20.205 0.45 30.53 H new ATOM 0 HG LEU A 73 46.767 -75.860 -17.224 0.45 30.16 H new ATOM 0 HD11 LEU A 73 44.337 -76.018 -17.784 0.45 29.57 H new ATOM 0 HD12 LEU A 73 44.973 -74.397 -18.150 0.45 29.57 H new ATOM 0 HD13 LEU A 73 44.702 -75.565 -19.465 0.45 29.57 H new ATOM 0 HD21 LEU A 73 45.796 -78.019 -17.978 0.45 29.11 H new ATOM 0 HD22 LEU A 73 46.152 -77.586 -19.667 0.45 29.11 H new ATOM 0 HD23 LEU A 73 47.484 -77.848 -18.517 0.45 29.11 H new ATOM 1193 N ARG A 74 50.492 -75.388 -20.534 0.45 33.82 N ATOM 1194 CA ARG A 74 51.402 -74.774 -21.495 0.45 35.33 C ATOM 1195 C ARG A 74 50.637 -74.264 -22.710 0.45 36.22 C ATOM 1196 O ARG A 74 51.053 -73.309 -23.366 0.45 36.70 O ATOM 1197 CB ARG A 74 52.469 -75.784 -21.927 0.45 36.91 C ATOM 1198 CG ARG A 74 51.814 -76.944 -22.680 0.45 38.62 C ATOM 1199 CD ARG A 74 52.865 -78.015 -22.978 0.45 39.75 C ATOM 1200 NE ARG A 74 53.916 -77.467 -23.828 0.45 41.13 N ATOM 1201 CZ ARG A 74 54.911 -78.229 -24.268 0.45 41.91 C ATOM 1202 NH1 ARG A 74 55.833 -78.640 -23.441 0.45 41.93 N ATOM 1203 NH2 ARG A 74 54.965 -78.567 -25.527 0.45 42.75 N ATOM 0 H ARG A 74 50.474 -76.408 -20.555 0.45 33.82 H new ATOM 0 HA ARG A 74 51.890 -73.925 -21.016 0.45 35.33 H new ATOM 0 HB2 ARG A 74 53.207 -75.296 -22.564 0.45 36.91 H new ATOM 0 HB3 ARG A 74 53.001 -76.160 -21.053 0.45 36.91 H new ATOM 0 HG2 ARG A 74 51.005 -77.368 -22.085 0.45 38.62 H new ATOM 0 HG3 ARG A 74 51.371 -76.585 -23.609 0.45 38.62 H new ATOM 0 HD2 ARG A 74 53.295 -78.382 -22.046 0.45 39.75 H new ATOM 0 HD3 ARG A 74 52.397 -78.867 -23.470 0.45 39.75 H new ATOM 0 HE ARG A 74 53.886 -76.481 -24.089 0.45 41.13 H new ATOM 0 HH11 ARG A 74 55.790 -78.376 -22.457 0.45 41.93 H new ATOM 0 HH12 ARG A 74 56.597 -79.225 -23.779 0.45 41.93 H new ATOM 0 HH21 ARG A 74 54.243 -78.246 -26.173 0.45 42.75 H new ATOM 0 HH22 ARG A 74 55.729 -79.152 -25.866 0.45 42.75 H new ATOM 1217 N GLY A 75 49.516 -74.909 -22.999 0.25 36.31 N ATOM 1218 CA GLY A 75 48.687 -74.518 -24.134 0.25 36.07 C ATOM 1219 C GLY A 75 49.251 -75.067 -25.440 0.25 36.16 C ATOM 1220 O GLY A 75 50.058 -75.996 -25.438 0.25 36.26 O ATOM 0 H GLY A 75 49.159 -75.703 -22.467 0.25 36.31 H new ATOM 0 HA2 GLY A 75 47.671 -74.885 -23.990 0.25 36.07 H new ATOM 0 HA3 GLY A 75 48.628 -73.431 -24.188 0.25 36.07 H new ATOM 1224 N GLY A 76 48.820 -74.486 -26.555 0.25 36.05 N ATOM 1225 CA GLY A 76 49.289 -74.924 -27.864 0.25 36.19 C ATOM 1226 C GLY A 76 50.810 -74.851 -27.950 0.25 36.20 C ATOM 1227 O GLY A 76 51.367 -73.894 -27.439 1.00 0.00 O ATOM 1228 OXT GLY A 76 51.394 -75.754 -28.526 1.00 0.00 O ATOM 0 H GLY A 76 48.151 -73.716 -26.579 0.25 36.05 H new ATOM 0 HA2 GLY A 76 48.959 -75.946 -28.050 0.25 36.19 H new ATOM 0 HA3 GLY A 76 48.847 -74.300 -28.641 0.25 36.19 H new TER 1232 GLY A 76