USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0403 (180deg=-0.392) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= -0.218 (180deg=-0.808) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0282 USER MOD Single : A 16 LYS NZ :NH3+ 126:sc= -0.123 (180deg=-0.627) USER MOD Single : A 18 GLN :FLIP amide:sc= -3.23! C(o=-4.7!,f=-3.2!) USER MOD Single : A 24 THR OG1 : rot -71:sc= 0.0954 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -96:sc= 0.7 USER MOD Single : A 32 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.61) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.216 F(o=-1.2!,f=-0.22) USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.0162 (180deg=-0.674) USER MOD Single : A 37 GLN : amide:sc= -6! C(o=-6!,f=-7.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= -0.537! (180deg=-2.31!) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0332) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -94:sc= 0.272 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 176:sc= 0 (180deg=-0.0139) USER MOD Single : A 64 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.96) USER MOD Single : A 69 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.119 -0.030 -0.015 1.00 0.15 N ATOM 2 CA GLY A 1 0.419 -1.442 -0.383 1.00 0.36 C ATOM 3 C GLY A 1 1.078 -1.494 -1.763 1.00 0.47 C ATOM 4 O GLY A 1 2.195 -1.046 -1.941 1.00 0.45 O ATOM 0 H1 GLY A 1 -0.328 -0.003 0.923 1.00 0.15 H new ATOM 0 H2 GLY A 1 1.002 0.518 0.007 1.00 0.15 H new ATOM 0 H3 GLY A 1 -0.527 0.382 -0.718 1.00 0.15 H new ATOM 0 HA2 GLY A 1 1.079 -1.888 0.361 1.00 0.36 H new ATOM 0 HA3 GLY A 1 -0.500 -2.029 -0.387 1.00 0.36 H new ATOM 10 N SER A 2 0.372 -2.043 -2.713 1.00 0.63 N ATOM 11 CA SER A 2 0.933 -2.137 -4.088 1.00 0.82 C ATOM 12 C SER A 2 -0.163 -1.947 -5.135 1.00 0.63 C ATOM 13 O SER A 2 -0.528 -2.875 -5.829 1.00 0.72 O ATOM 14 CB SER A 2 1.523 -3.540 -4.267 1.00 1.10 C ATOM 15 OG SER A 2 2.771 -3.485 -3.592 1.00 0.74 O ATOM 0 H SER A 2 -0.565 -2.429 -2.596 1.00 0.63 H new ATOM 0 HA SER A 2 1.688 -1.362 -4.218 1.00 0.82 H new ATOM 0 HB2 SER A 2 0.873 -4.303 -3.839 1.00 1.10 H new ATOM 0 HB3 SER A 2 1.651 -3.786 -5.321 1.00 1.10 H new ATOM 0 HG SER A 2 3.217 -4.355 -3.659 1.00 0.74 H new ATOM 21 N PRO A 3 -0.671 -0.741 -5.233 1.00 0.50 N ATOM 22 CA PRO A 3 -1.731 -0.432 -6.201 1.00 0.41 C ATOM 23 C PRO A 3 -1.215 -0.498 -7.638 1.00 0.48 C ATOM 24 O PRO A 3 -0.322 0.236 -8.014 1.00 0.67 O ATOM 25 CB PRO A 3 -2.155 1.010 -5.866 1.00 0.59 C ATOM 26 CG PRO A 3 -1.203 1.538 -4.762 1.00 0.76 C ATOM 27 CD PRO A 3 -0.246 0.395 -4.388 1.00 0.65 C ATOM 0 HA PRO A 3 -2.552 -1.146 -6.135 1.00 0.41 H new ATOM 0 HB2 PRO A 3 -2.099 1.641 -6.753 1.00 0.59 H new ATOM 0 HB3 PRO A 3 -3.189 1.034 -5.523 1.00 0.59 H new ATOM 0 HG2 PRO A 3 -0.645 2.403 -5.119 1.00 0.76 H new ATOM 0 HG3 PRO A 3 -1.771 1.863 -3.890 1.00 0.76 H new ATOM 0 HD2 PRO A 3 0.791 0.667 -4.583 1.00 0.65 H new ATOM 0 HD3 PRO A 3 -0.318 0.149 -3.329 1.00 0.65 H new ATOM 35 N THR A 4 -1.785 -1.383 -8.411 1.00 0.34 N ATOM 36 CA THR A 4 -1.342 -1.515 -9.824 1.00 0.39 C ATOM 37 C THR A 4 -2.516 -1.882 -10.727 1.00 0.44 C ATOM 38 O THR A 4 -3.592 -2.196 -10.258 1.00 0.76 O ATOM 39 CB THR A 4 -0.294 -2.628 -9.906 1.00 0.43 C ATOM 40 OG1 THR A 4 -0.311 -3.258 -8.637 1.00 0.46 O ATOM 41 CG2 THR A 4 1.118 -2.041 -10.028 1.00 0.38 C ATOM 0 H THR A 4 -2.533 -2.015 -8.126 1.00 0.34 H new ATOM 0 HA THR A 4 -0.927 -0.563 -10.155 1.00 0.39 H new ATOM 0 HB THR A 4 -0.512 -3.277 -10.754 1.00 0.43 H new ATOM 0 HG1 THR A 4 0.343 -3.988 -8.625 1.00 0.46 H new ATOM 0 HG21 THR A 4 1.845 -2.851 -10.085 1.00 0.38 H new ATOM 0 HG22 THR A 4 1.182 -1.432 -10.930 1.00 0.38 H new ATOM 0 HG23 THR A 4 1.331 -1.422 -9.156 1.00 0.38 H new ATOM 49 N PHE A 5 -2.285 -1.835 -12.009 1.00 0.32 N ATOM 50 CA PHE A 5 -3.370 -2.177 -12.964 1.00 0.34 C ATOM 51 C PHE A 5 -3.883 -3.597 -12.724 1.00 0.37 C ATOM 52 O PHE A 5 -3.622 -4.183 -11.693 1.00 0.39 O ATOM 53 CB PHE A 5 -2.793 -2.081 -14.380 1.00 0.39 C ATOM 54 CG PHE A 5 -3.743 -1.270 -15.262 1.00 0.37 C ATOM 55 CD1 PHE A 5 -3.748 0.112 -15.206 1.00 0.34 C ATOM 56 CD2 PHE A 5 -4.600 -1.913 -16.137 1.00 0.40 C ATOM 57 CE1 PHE A 5 -4.599 0.841 -16.013 1.00 0.35 C ATOM 58 CE2 PHE A 5 -5.449 -1.185 -16.942 1.00 0.41 C ATOM 59 CZ PHE A 5 -5.451 0.191 -16.880 1.00 0.38 C ATOM 0 H PHE A 5 -1.395 -1.575 -12.434 1.00 0.32 H new ATOM 0 HA PHE A 5 -4.205 -1.489 -12.830 1.00 0.34 H new ATOM 0 HB2 PHE A 5 -1.811 -1.608 -14.353 1.00 0.39 H new ATOM 0 HB3 PHE A 5 -2.655 -3.079 -14.797 1.00 0.39 H new ATOM 0 HD1 PHE A 5 -3.082 0.624 -14.527 1.00 0.34 H new ATOM 0 HD2 PHE A 5 -4.604 -2.992 -16.190 1.00 0.40 H new ATOM 0 HE1 PHE A 5 -4.597 1.920 -15.965 1.00 0.35 H new ATOM 0 HE2 PHE A 5 -6.114 -1.695 -17.623 1.00 0.41 H new ATOM 0 HZ PHE A 5 -6.119 0.760 -17.510 1.00 0.38 H new ATOM 69 N LYS A 6 -4.589 -4.124 -13.694 1.00 0.38 N ATOM 70 CA LYS A 6 -5.138 -5.507 -13.561 1.00 0.41 C ATOM 71 C LYS A 6 -5.989 -5.621 -12.300 1.00 0.36 C ATOM 72 O LYS A 6 -5.832 -4.858 -11.370 1.00 0.47 O ATOM 73 CB LYS A 6 -3.977 -6.524 -13.454 1.00 0.45 C ATOM 74 CG LYS A 6 -3.618 -7.087 -14.836 1.00 0.49 C ATOM 75 CD LYS A 6 -2.752 -6.075 -15.589 1.00 0.78 C ATOM 76 CE LYS A 6 -2.347 -6.678 -16.935 1.00 0.69 C ATOM 77 NZ LYS A 6 -1.402 -7.811 -16.729 1.00 0.66 N ATOM 0 H LYS A 6 -4.808 -3.655 -14.573 1.00 0.38 H new ATOM 0 HA LYS A 6 -5.748 -5.718 -14.439 1.00 0.41 H new ATOM 0 HB2 LYS A 6 -3.104 -6.041 -13.015 1.00 0.45 H new ATOM 0 HB3 LYS A 6 -4.261 -7.338 -12.787 1.00 0.45 H new ATOM 0 HG2 LYS A 6 -3.083 -8.031 -14.728 1.00 0.49 H new ATOM 0 HG3 LYS A 6 -4.526 -7.298 -15.402 1.00 0.49 H new ATOM 0 HD2 LYS A 6 -3.303 -5.147 -15.742 1.00 0.78 H new ATOM 0 HD3 LYS A 6 -1.866 -5.828 -15.004 1.00 0.78 H new ATOM 0 HE2 LYS A 6 -3.233 -7.026 -17.467 1.00 0.69 H new ATOM 0 HE3 LYS A 6 -1.881 -5.915 -17.558 1.00 0.69 H new ATOM 0 HZ1 LYS A 6 -0.891 -8.002 -17.614 1.00 0.66 H new ATOM 0 HZ2 LYS A 6 -0.721 -7.564 -15.983 1.00 0.66 H new ATOM 0 HZ3 LYS A 6 -1.933 -8.659 -16.446 1.00 0.66 H new ATOM 91 N CYS A 7 -6.885 -6.568 -12.292 1.00 0.25 N ATOM 92 CA CYS A 7 -7.738 -6.730 -11.094 1.00 0.23 C ATOM 93 C CYS A 7 -7.009 -7.579 -10.064 1.00 0.16 C ATOM 94 O CYS A 7 -6.850 -8.769 -10.249 1.00 0.23 O ATOM 95 CB CYS A 7 -9.033 -7.434 -11.511 1.00 0.33 C ATOM 96 SG CYS A 7 -10.424 -7.360 -10.356 1.00 0.29 S ATOM 0 H CYS A 7 -7.058 -7.225 -13.053 1.00 0.25 H new ATOM 0 HA CYS A 7 -7.964 -5.756 -10.660 1.00 0.23 H new ATOM 0 HB2 CYS A 7 -9.359 -7.008 -12.460 1.00 0.33 H new ATOM 0 HB3 CYS A 7 -8.803 -8.483 -11.695 1.00 0.33 H new ATOM 0 HG CYS A 7 -11.439 -7.999 -10.857 1.00 0.29 H new ATOM 102 N ALA A 8 -6.575 -6.945 -9.003 1.00 0.18 N ATOM 103 CA ALA A 8 -5.847 -7.696 -7.945 1.00 0.30 C ATOM 104 C ALA A 8 -6.597 -7.693 -6.617 1.00 0.25 C ATOM 105 O ALA A 8 -7.706 -7.203 -6.519 1.00 0.28 O ATOM 106 CB ALA A 8 -4.479 -7.028 -7.741 1.00 0.49 C ATOM 0 H ALA A 8 -6.694 -5.947 -8.828 1.00 0.18 H new ATOM 0 HA ALA A 8 -5.747 -8.733 -8.267 1.00 0.30 H new ATOM 0 HB1 ALA A 8 -3.925 -7.562 -6.969 1.00 0.49 H new ATOM 0 HB2 ALA A 8 -3.918 -7.056 -8.675 1.00 0.49 H new ATOM 0 HB3 ALA A 8 -4.622 -5.992 -7.435 1.00 0.49 H new ATOM 112 N VAL A 9 -5.964 -8.253 -5.624 1.00 0.20 N ATOM 113 CA VAL A 9 -6.578 -8.318 -4.283 1.00 0.17 C ATOM 114 C VAL A 9 -5.487 -8.222 -3.227 1.00 0.23 C ATOM 115 O VAL A 9 -4.324 -8.076 -3.541 1.00 0.39 O ATOM 116 CB VAL A 9 -7.281 -9.688 -4.123 1.00 0.13 C ATOM 117 CG1 VAL A 9 -7.726 -10.209 -5.486 1.00 0.19 C ATOM 118 CG2 VAL A 9 -6.324 -10.727 -3.507 1.00 0.13 C ATOM 0 H VAL A 9 -5.036 -8.671 -5.693 1.00 0.20 H new ATOM 0 HA VAL A 9 -7.291 -7.502 -4.167 1.00 0.17 H new ATOM 0 HB VAL A 9 -8.140 -9.545 -3.468 1.00 0.13 H new ATOM 0 HG11 VAL A 9 -8.219 -11.173 -5.364 1.00 0.19 H new ATOM 0 HG12 VAL A 9 -8.421 -9.501 -5.937 1.00 0.19 H new ATOM 0 HG13 VAL A 9 -6.856 -10.326 -6.132 1.00 0.19 H new ATOM 0 HG21 VAL A 9 -6.840 -11.681 -3.404 1.00 0.13 H new ATOM 0 HG22 VAL A 9 -5.456 -10.852 -4.155 1.00 0.13 H new ATOM 0 HG23 VAL A 9 -5.997 -10.384 -2.525 1.00 0.13 H new ATOM 128 N LYS A 10 -5.890 -8.294 -2.004 1.00 0.15 N ATOM 129 CA LYS A 10 -4.914 -8.222 -0.893 1.00 0.20 C ATOM 130 C LYS A 10 -5.298 -9.273 0.149 1.00 0.19 C ATOM 131 O LYS A 10 -6.063 -9.000 1.048 1.00 0.19 O ATOM 132 CB LYS A 10 -4.980 -6.831 -0.252 1.00 0.25 C ATOM 133 CG LYS A 10 -4.127 -6.838 1.021 1.00 0.47 C ATOM 134 CD LYS A 10 -3.746 -5.406 1.412 1.00 0.53 C ATOM 135 CE LYS A 10 -2.256 -5.193 1.135 1.00 1.14 C ATOM 136 NZ LYS A 10 -1.915 -5.587 -0.262 1.00 3.77 N ATOM 0 H LYS A 10 -6.863 -8.401 -1.719 1.00 0.15 H new ATOM 0 HA LYS A 10 -3.905 -8.403 -1.263 1.00 0.20 H new ATOM 0 HB2 LYS A 10 -4.614 -6.076 -0.948 1.00 0.25 H new ATOM 0 HB3 LYS A 10 -6.012 -6.573 -0.014 1.00 0.25 H new ATOM 0 HG2 LYS A 10 -4.678 -7.310 1.834 1.00 0.47 H new ATOM 0 HG3 LYS A 10 -3.226 -7.431 0.861 1.00 0.47 H new ATOM 0 HD2 LYS A 10 -4.340 -4.690 0.844 1.00 0.53 H new ATOM 0 HD3 LYS A 10 -3.961 -5.234 2.467 1.00 0.53 H new ATOM 0 HE2 LYS A 10 -1.998 -4.146 1.296 1.00 1.14 H new ATOM 0 HE3 LYS A 10 -1.664 -5.779 1.838 1.00 1.14 H new ATOM 0 HZ1 LYS A 10 -1.020 -5.137 -0.541 1.00 3.77 H new ATOM 0 HZ2 LYS A 10 -1.814 -6.621 -0.316 1.00 3.77 H new ATOM 0 HZ3 LYS A 10 -2.673 -5.279 -0.904 1.00 3.77 H new ATOM 150 N ALA A 11 -4.783 -10.466 -0.013 1.00 0.18 N ATOM 151 CA ALA A 11 -5.107 -11.551 0.956 1.00 0.16 C ATOM 152 C ALA A 11 -5.175 -11.034 2.383 1.00 0.25 C ATOM 153 O ALA A 11 -4.228 -10.480 2.902 1.00 0.29 O ATOM 154 CB ALA A 11 -4.019 -12.618 0.875 1.00 0.15 C ATOM 0 H ALA A 11 -4.155 -10.732 -0.772 1.00 0.18 H new ATOM 0 HA ALA A 11 -6.084 -11.958 0.696 1.00 0.16 H new ATOM 0 HB1 ALA A 11 -4.242 -13.420 1.579 1.00 0.15 H new ATOM 0 HB2 ALA A 11 -3.981 -13.023 -0.136 1.00 0.15 H new ATOM 0 HB3 ALA A 11 -3.055 -12.174 1.124 1.00 0.15 H new ATOM 160 N LEU A 12 -6.313 -11.213 2.980 1.00 0.30 N ATOM 161 CA LEU A 12 -6.490 -10.752 4.373 1.00 0.40 C ATOM 162 C LEU A 12 -6.166 -11.897 5.311 1.00 0.27 C ATOM 163 O LEU A 12 -5.766 -11.692 6.438 1.00 0.42 O ATOM 164 CB LEU A 12 -7.960 -10.329 4.592 1.00 0.51 C ATOM 165 CG LEU A 12 -8.495 -9.586 3.353 1.00 0.58 C ATOM 166 CD1 LEU A 12 -10.003 -9.373 3.516 1.00 0.77 C ATOM 167 CD2 LEU A 12 -7.810 -8.219 3.247 1.00 0.79 C ATOM 0 H LEU A 12 -7.129 -11.660 2.561 1.00 0.30 H new ATOM 0 HA LEU A 12 -5.831 -9.905 4.567 1.00 0.40 H new ATOM 0 HB2 LEU A 12 -8.573 -11.209 4.789 1.00 0.51 H new ATOM 0 HB3 LEU A 12 -8.033 -9.686 5.469 1.00 0.51 H new ATOM 0 HG LEU A 12 -8.292 -10.171 2.456 1.00 0.58 H new ATOM 0 HD11 LEU A 12 -10.393 -8.848 2.644 1.00 0.77 H new ATOM 0 HD12 LEU A 12 -10.499 -10.339 3.609 1.00 0.77 H new ATOM 0 HD13 LEU A 12 -10.192 -8.780 4.411 1.00 0.77 H new ATOM 0 HD21 LEU A 12 -8.186 -7.690 2.371 1.00 0.79 H new ATOM 0 HD22 LEU A 12 -8.023 -7.635 4.142 1.00 0.79 H new ATOM 0 HD23 LEU A 12 -6.733 -8.358 3.152 1.00 0.79 H new ATOM 179 N PHE A 13 -6.361 -13.093 4.824 1.00 0.17 N ATOM 180 CA PHE A 13 -6.074 -14.294 5.661 1.00 0.41 C ATOM 181 C PHE A 13 -4.796 -14.979 5.170 1.00 0.38 C ATOM 182 O PHE A 13 -4.300 -14.670 4.106 1.00 0.56 O ATOM 183 CB PHE A 13 -7.246 -15.282 5.530 1.00 0.64 C ATOM 184 CG PHE A 13 -8.568 -14.737 6.122 1.00 0.43 C ATOM 185 CD1 PHE A 13 -8.684 -13.468 6.693 1.00 0.45 C ATOM 186 CD2 PHE A 13 -9.708 -15.514 6.020 1.00 0.55 C ATOM 187 CE1 PHE A 13 -9.902 -13.002 7.122 1.00 0.38 C ATOM 188 CE2 PHE A 13 -10.927 -15.043 6.458 1.00 0.71 C ATOM 189 CZ PHE A 13 -11.024 -13.786 7.009 1.00 0.57 C ATOM 0 H PHE A 13 -6.706 -13.290 3.885 1.00 0.17 H new ATOM 0 HA PHE A 13 -5.946 -13.988 6.699 1.00 0.41 H new ATOM 0 HB2 PHE A 13 -7.397 -15.520 4.477 1.00 0.64 H new ATOM 0 HB3 PHE A 13 -6.986 -16.213 6.033 1.00 0.64 H new ATOM 0 HD1 PHE A 13 -7.807 -12.847 6.798 1.00 0.45 H new ATOM 0 HD2 PHE A 13 -9.642 -16.503 5.591 1.00 0.55 H new ATOM 0 HE1 PHE A 13 -9.978 -12.014 7.551 1.00 0.38 H new ATOM 0 HE2 PHE A 13 -11.808 -15.662 6.369 1.00 0.71 H new ATOM 0 HZ PHE A 13 -11.979 -13.417 7.352 1.00 0.57 H new ATOM 199 N ASP A 14 -4.296 -15.903 5.952 1.00 0.17 N ATOM 200 CA ASP A 14 -3.050 -16.619 5.551 1.00 0.14 C ATOM 201 C ASP A 14 -3.334 -18.016 5.008 1.00 0.15 C ATOM 202 O ASP A 14 -4.155 -18.742 5.536 1.00 0.25 O ATOM 203 CB ASP A 14 -2.166 -16.759 6.795 1.00 0.17 C ATOM 204 CG ASP A 14 -0.918 -17.572 6.444 1.00 2.69 C ATOM 205 OD1 ASP A 14 -0.645 -17.655 5.257 1.00 4.57 O ATOM 206 OD2 ASP A 14 -0.310 -18.065 7.380 1.00 3.10 O ATOM 0 H ASP A 14 -4.695 -16.190 6.846 1.00 0.17 H new ATOM 0 HA ASP A 14 -2.566 -16.044 4.761 1.00 0.14 H new ATOM 0 HB2 ASP A 14 -1.880 -15.774 7.164 1.00 0.17 H new ATOM 0 HB3 ASP A 14 -2.720 -17.250 7.595 1.00 0.17 H new ATOM 211 N TYR A 15 -2.627 -18.360 3.964 1.00 0.12 N ATOM 212 CA TYR A 15 -2.806 -19.699 3.339 1.00 0.10 C ATOM 213 C TYR A 15 -1.523 -20.508 3.464 1.00 0.07 C ATOM 214 O TYR A 15 -0.496 -19.989 3.853 1.00 0.06 O ATOM 215 CB TYR A 15 -3.074 -19.500 1.841 1.00 0.10 C ATOM 216 CG TYR A 15 -3.740 -20.751 1.262 1.00 0.16 C ATOM 217 CD1 TYR A 15 -2.993 -21.861 0.908 1.00 0.17 C ATOM 218 CD2 TYR A 15 -5.106 -20.815 1.172 1.00 0.22 C ATOM 219 CE1 TYR A 15 -3.597 -23.011 0.495 1.00 0.22 C ATOM 220 CE2 TYR A 15 -5.727 -21.972 0.746 1.00 0.27 C ATOM 221 CZ TYR A 15 -4.976 -23.086 0.407 1.00 0.27 C ATOM 222 OH TYR A 15 -5.595 -24.256 0.016 1.00 0.33 O ATOM 0 H TYR A 15 -1.929 -17.766 3.516 1.00 0.12 H new ATOM 0 HA TYR A 15 -3.628 -20.218 3.833 1.00 0.10 H new ATOM 0 HB2 TYR A 15 -3.716 -18.632 1.689 1.00 0.10 H new ATOM 0 HB3 TYR A 15 -2.139 -19.300 1.318 1.00 0.10 H new ATOM 0 HD1 TYR A 15 -1.915 -21.815 0.960 1.00 0.17 H new ATOM 0 HD2 TYR A 15 -5.701 -19.954 1.436 1.00 0.22 H new ATOM 0 HE1 TYR A 15 -2.995 -23.869 0.235 1.00 0.22 H new ATOM 0 HE2 TYR A 15 -6.804 -22.009 0.677 1.00 0.27 H new ATOM 0 HH TYR A 15 -6.566 -24.126 0.012 1.00 0.33 H new ATOM 232 N LYS A 16 -1.605 -21.760 3.133 1.00 0.09 N ATOM 233 CA LYS A 16 -0.394 -22.609 3.221 1.00 0.10 C ATOM 234 C LYS A 16 -0.373 -23.727 2.179 1.00 0.15 C ATOM 235 O LYS A 16 -0.666 -24.869 2.470 1.00 0.49 O ATOM 236 CB LYS A 16 -0.264 -23.213 4.621 1.00 0.07 C ATOM 237 CG LYS A 16 1.225 -23.462 4.870 1.00 0.09 C ATOM 238 CD LYS A 16 1.414 -24.309 6.125 1.00 0.22 C ATOM 239 CE LYS A 16 2.902 -24.319 6.489 1.00 0.86 C ATOM 240 NZ LYS A 16 3.351 -22.961 6.915 1.00 2.39 N ATOM 0 H LYS A 16 -2.450 -22.229 2.808 1.00 0.09 H new ATOM 0 HA LYS A 16 0.454 -21.956 3.016 1.00 0.10 H new ATOM 0 HB2 LYS A 16 -0.672 -22.536 5.372 1.00 0.07 H new ATOM 0 HB3 LYS A 16 -0.827 -24.144 4.692 1.00 0.07 H new ATOM 0 HG2 LYS A 16 1.665 -23.968 4.011 1.00 0.09 H new ATOM 0 HG3 LYS A 16 1.747 -22.511 4.982 1.00 0.09 H new ATOM 0 HD2 LYS A 16 0.826 -23.902 6.948 1.00 0.22 H new ATOM 0 HD3 LYS A 16 1.060 -25.325 5.952 1.00 0.22 H new ATOM 0 HE2 LYS A 16 3.080 -25.035 7.292 1.00 0.86 H new ATOM 0 HE3 LYS A 16 3.489 -24.649 5.632 1.00 0.86 H new ATOM 0 HZ1 LYS A 16 3.803 -23.022 7.849 1.00 2.39 H new ATOM 0 HZ2 LYS A 16 4.033 -22.588 6.224 1.00 2.39 H new ATOM 0 HZ3 LYS A 16 2.530 -22.325 6.969 1.00 2.39 H new ATOM 254 N ALA A 17 -0.029 -23.351 0.975 1.00 0.30 N ATOM 255 CA ALA A 17 0.043 -24.343 -0.132 1.00 0.28 C ATOM 256 C ALA A 17 1.414 -24.246 -0.731 1.00 0.28 C ATOM 257 O ALA A 17 2.106 -25.222 -0.931 1.00 0.34 O ATOM 258 CB ALA A 17 -0.910 -23.980 -1.260 1.00 0.31 C ATOM 0 H ALA A 17 0.206 -22.394 0.712 1.00 0.30 H new ATOM 0 HA ALA A 17 -0.200 -25.326 0.271 1.00 0.28 H new ATOM 0 HB1 ALA A 17 -0.834 -24.723 -2.054 1.00 0.31 H new ATOM 0 HB2 ALA A 17 -1.931 -23.957 -0.880 1.00 0.31 H new ATOM 0 HB3 ALA A 17 -0.648 -22.999 -1.656 1.00 0.31 H new ATOM 264 N GLN A 18 1.725 -23.017 -1.024 1.00 0.23 N ATOM 265 CA GLN A 18 3.040 -22.660 -1.632 1.00 0.22 C ATOM 266 C GLN A 18 3.060 -23.022 -3.107 1.00 0.18 C ATOM 267 O GLN A 18 3.581 -22.290 -3.923 1.00 0.12 O ATOM 268 CB GLN A 18 4.155 -23.424 -0.912 1.00 0.22 C ATOM 269 CG GLN A 18 5.502 -22.770 -1.225 1.00 0.23 C ATOM 270 CD GLN A 18 6.625 -23.694 -0.745 1.00 0.72 C ATOM 271 OE1 GLN A 18 6.423 -24.442 0.306 1.00 2.25 O flip ATOM 272 NE2 GLN A 18 7.696 -23.740 -1.320 1.00 0.45 N flip ATOM 0 H GLN A 18 1.107 -22.221 -0.864 1.00 0.23 H new ATOM 0 HA GLN A 18 3.194 -21.586 -1.529 1.00 0.22 H new ATOM 0 HB2 GLN A 18 3.978 -23.421 0.163 1.00 0.22 H new ATOM 0 HB3 GLN A 18 4.161 -24.466 -1.231 1.00 0.22 H new ATOM 0 HG2 GLN A 18 5.594 -22.590 -2.296 1.00 0.23 H new ATOM 0 HG3 GLN A 18 5.574 -21.801 -0.731 1.00 0.23 H new ATOM 0 HE21 GLN A 18 7.859 -23.158 -2.142 1.00 0.45 H new ATOM 0 HE22 GLN A 18 8.431 -24.361 -0.981 1.00 0.45 H new ATOM 281 N ARG A 19 2.470 -24.136 -3.418 1.00 0.20 N ATOM 282 CA ARG A 19 2.434 -24.582 -4.836 1.00 0.18 C ATOM 283 C ARG A 19 1.600 -25.846 -4.951 1.00 0.31 C ATOM 284 O ARG A 19 2.133 -26.921 -5.136 1.00 0.29 O ATOM 285 CB ARG A 19 3.868 -24.890 -5.297 1.00 0.10 C ATOM 286 CG ARG A 19 4.467 -25.976 -4.396 1.00 2.59 C ATOM 287 CD ARG A 19 5.915 -25.620 -4.046 1.00 3.33 C ATOM 288 NE ARG A 19 6.630 -26.872 -3.667 1.00 2.93 N ATOM 289 CZ ARG A 19 7.193 -26.970 -2.493 1.00 4.21 C ATOM 290 NH1 ARG A 19 6.635 -26.383 -1.468 1.00 6.15 N ATOM 291 NH2 ARG A 19 8.295 -27.664 -2.383 1.00 3.85 N ATOM 0 H ARG A 19 2.011 -24.759 -2.753 1.00 0.20 H new ATOM 0 HA ARG A 19 1.998 -23.798 -5.455 1.00 0.18 H new ATOM 0 HB2 ARG A 19 3.865 -25.223 -6.335 1.00 0.10 H new ATOM 0 HB3 ARG A 19 4.478 -23.988 -5.253 1.00 0.10 H new ATOM 0 HG2 ARG A 19 3.876 -26.072 -3.485 1.00 2.59 H new ATOM 0 HG3 ARG A 19 4.432 -26.941 -4.902 1.00 2.59 H new ATOM 0 HD2 ARG A 19 6.405 -25.146 -4.897 1.00 3.33 H new ATOM 0 HD3 ARG A 19 5.941 -24.905 -3.224 1.00 3.33 H new ATOM 0 HE ARG A 19 6.679 -27.651 -4.324 1.00 2.93 H new ATOM 0 HH11 ARG A 19 5.770 -25.856 -1.590 1.00 6.15 H new ATOM 0 HH12 ARG A 19 7.064 -26.451 -0.545 1.00 6.15 H new ATOM 0 HH21 ARG A 19 8.698 -28.115 -3.204 1.00 3.85 H new ATOM 0 HH22 ARG A 19 8.752 -27.754 -1.476 1.00 3.85 H new ATOM 305 N GLU A 20 0.305 -25.695 -4.849 1.00 0.45 N ATOM 306 CA GLU A 20 -0.571 -26.903 -4.951 1.00 0.59 C ATOM 307 C GLU A 20 -1.703 -26.657 -5.929 1.00 0.56 C ATOM 308 O GLU A 20 -2.529 -27.510 -6.151 1.00 1.08 O ATOM 309 CB GLU A 20 -1.149 -27.192 -3.545 1.00 0.58 C ATOM 310 CG GLU A 20 -2.554 -26.576 -3.374 1.00 0.41 C ATOM 311 CD GLU A 20 -3.642 -27.522 -3.902 1.00 0.65 C ATOM 312 OE1 GLU A 20 -3.286 -28.642 -4.235 1.00 1.53 O ATOM 313 OE2 GLU A 20 -4.773 -27.067 -3.946 1.00 0.42 O ATOM 0 H GLU A 20 -0.177 -24.808 -4.703 1.00 0.45 H new ATOM 0 HA GLU A 20 0.009 -27.753 -5.311 1.00 0.59 H new ATOM 0 HB2 GLU A 20 -1.201 -28.269 -3.386 1.00 0.58 H new ATOM 0 HB3 GLU A 20 -0.479 -26.790 -2.785 1.00 0.58 H new ATOM 0 HG2 GLU A 20 -2.734 -26.362 -2.321 1.00 0.41 H new ATOM 0 HG3 GLU A 20 -2.605 -25.626 -3.906 1.00 0.41 H new ATOM 320 N ASP A 21 -1.617 -25.506 -6.530 1.00 0.63 N ATOM 321 CA ASP A 21 -2.600 -24.999 -7.525 1.00 0.57 C ATOM 322 C ASP A 21 -3.214 -23.838 -6.763 1.00 0.75 C ATOM 323 O ASP A 21 -3.986 -23.047 -7.253 1.00 1.91 O ATOM 324 CB ASP A 21 -3.683 -26.030 -7.901 1.00 0.45 C ATOM 325 CG ASP A 21 -3.036 -27.229 -8.607 1.00 0.27 C ATOM 326 OD1 ASP A 21 -1.825 -27.331 -8.500 1.00 0.88 O ATOM 327 OD2 ASP A 21 -3.791 -27.971 -9.212 1.00 1.59 O ATOM 0 H ASP A 21 -0.852 -24.854 -6.358 1.00 0.63 H new ATOM 0 HA ASP A 21 -2.140 -24.747 -8.480 1.00 0.57 H new ATOM 0 HB2 ASP A 21 -4.208 -26.363 -7.005 1.00 0.45 H new ATOM 0 HB3 ASP A 21 -4.426 -25.570 -8.553 1.00 0.45 H new ATOM 332 N GLU A 22 -2.797 -23.827 -5.521 1.00 0.41 N ATOM 333 CA GLU A 22 -3.199 -22.823 -4.512 1.00 0.16 C ATOM 334 C GLU A 22 -1.841 -22.357 -3.933 1.00 0.15 C ATOM 335 O GLU A 22 -0.866 -23.037 -4.176 1.00 0.12 O ATOM 336 CB GLU A 22 -4.048 -23.558 -3.440 1.00 0.21 C ATOM 337 CG GLU A 22 -5.168 -22.674 -2.879 1.00 0.33 C ATOM 338 CD GLU A 22 -4.575 -21.557 -2.020 1.00 2.71 C ATOM 339 OE1 GLU A 22 -3.408 -21.679 -1.708 1.00 3.94 O ATOM 340 OE2 GLU A 22 -5.329 -20.655 -1.709 1.00 3.26 O ATOM 0 H GLU A 22 -2.151 -24.526 -5.154 1.00 0.41 H new ATOM 0 HA GLU A 22 -3.790 -21.988 -4.887 1.00 0.16 H new ATOM 0 HB2 GLU A 22 -4.482 -24.457 -3.877 1.00 0.21 H new ATOM 0 HB3 GLU A 22 -3.400 -23.881 -2.625 1.00 0.21 H new ATOM 0 HG2 GLU A 22 -5.748 -22.246 -3.697 1.00 0.33 H new ATOM 0 HG3 GLU A 22 -5.854 -23.277 -2.283 1.00 0.33 H new ATOM 347 N LEU A 23 -1.741 -21.226 -3.255 1.00 0.14 N ATOM 348 CA LEU A 23 -0.374 -20.830 -2.715 1.00 0.13 C ATOM 349 C LEU A 23 -0.424 -20.537 -1.229 1.00 0.12 C ATOM 350 O LEU A 23 -1.473 -20.282 -0.686 1.00 0.12 O ATOM 351 CB LEU A 23 0.177 -19.547 -3.364 1.00 0.16 C ATOM 352 CG LEU A 23 -0.399 -19.354 -4.760 1.00 0.22 C ATOM 353 CD1 LEU A 23 -1.200 -18.051 -4.896 1.00 0.17 C ATOM 354 CD2 LEU A 23 0.769 -19.353 -5.735 1.00 0.30 C ATOM 0 H LEU A 23 -2.506 -20.581 -3.055 1.00 0.14 H new ATOM 0 HA LEU A 23 0.264 -21.684 -2.943 1.00 0.13 H new ATOM 0 HB2 LEU A 23 -0.069 -18.686 -2.743 1.00 0.16 H new ATOM 0 HB3 LEU A 23 1.264 -19.600 -3.419 1.00 0.16 H new ATOM 0 HG LEU A 23 -1.098 -20.163 -4.970 1.00 0.22 H new ATOM 0 HD11 LEU A 23 -1.587 -17.966 -5.911 1.00 0.17 H new ATOM 0 HD12 LEU A 23 -2.031 -18.059 -4.191 1.00 0.17 H new ATOM 0 HD13 LEU A 23 -0.552 -17.201 -4.683 1.00 0.17 H new ATOM 0 HD21 LEU A 23 0.396 -19.217 -6.750 1.00 0.30 H new ATOM 0 HD22 LEU A 23 1.450 -18.539 -5.486 1.00 0.30 H new ATOM 0 HD23 LEU A 23 1.300 -20.303 -5.668 1.00 0.30 H new ATOM 366 N THR A 24 0.734 -20.508 -0.624 1.00 0.13 N ATOM 367 CA THR A 24 0.797 -20.232 0.825 1.00 0.10 C ATOM 368 C THR A 24 0.888 -18.757 1.027 1.00 0.10 C ATOM 369 O THR A 24 1.415 -18.282 2.014 1.00 0.09 O ATOM 370 CB THR A 24 2.043 -20.872 1.426 1.00 0.18 C ATOM 371 OG1 THR A 24 2.052 -20.465 2.785 1.00 0.20 O ATOM 372 CG2 THR A 24 3.293 -20.238 0.866 1.00 0.27 C ATOM 0 H THR A 24 1.634 -20.665 -1.078 1.00 0.13 H new ATOM 0 HA THR A 24 -0.093 -20.639 1.306 1.00 0.10 H new ATOM 0 HB THR A 24 2.027 -21.946 1.242 1.00 0.18 H new ATOM 0 HG1 THR A 24 2.272 -19.512 2.840 1.00 0.20 H new ATOM 0 HG21 THR A 24 4.170 -20.710 1.309 1.00 0.27 H new ATOM 0 HG22 THR A 24 3.316 -20.372 -0.215 1.00 0.27 H new ATOM 0 HG23 THR A 24 3.297 -19.173 1.100 1.00 0.27 H new ATOM 380 N PHE A 25 0.393 -18.062 0.060 1.00 0.11 N ATOM 381 CA PHE A 25 0.428 -16.604 0.153 1.00 0.13 C ATOM 382 C PHE A 25 -0.010 -16.196 1.557 1.00 0.13 C ATOM 383 O PHE A 25 -0.906 -16.793 2.120 1.00 0.11 O ATOM 384 CB PHE A 25 -0.499 -16.042 -0.911 1.00 0.13 C ATOM 385 CG PHE A 25 -1.913 -16.561 -0.724 1.00 0.13 C ATOM 386 CD1 PHE A 25 -2.739 -16.048 0.252 1.00 0.13 C ATOM 387 CD2 PHE A 25 -2.398 -17.512 -1.588 1.00 0.12 C ATOM 388 CE1 PHE A 25 -4.045 -16.485 0.345 1.00 0.12 C ATOM 389 CE2 PHE A 25 -3.670 -17.947 -1.511 1.00 0.12 C ATOM 390 CZ PHE A 25 -4.508 -17.439 -0.538 1.00 0.12 C ATOM 0 H PHE A 25 -0.032 -18.443 -0.786 1.00 0.11 H new ATOM 0 HA PHE A 25 1.431 -16.212 -0.017 1.00 0.13 H new ATOM 0 HB2 PHE A 25 -0.497 -14.953 -0.863 1.00 0.13 H new ATOM 0 HB3 PHE A 25 -0.134 -16.318 -1.900 1.00 0.13 H new ATOM 0 HD1 PHE A 25 -2.366 -15.306 0.942 1.00 0.13 H new ATOM 0 HD2 PHE A 25 -1.745 -17.920 -2.346 1.00 0.12 H new ATOM 0 HE1 PHE A 25 -4.700 -16.083 1.104 1.00 0.12 H new ATOM 0 HE2 PHE A 25 -4.033 -18.689 -2.207 1.00 0.12 H new ATOM 0 HZ PHE A 25 -5.527 -17.789 -0.468 1.00 0.12 H new ATOM 400 N ILE A 26 0.617 -15.191 2.085 1.00 0.14 N ATOM 401 CA ILE A 26 0.263 -14.732 3.456 1.00 0.14 C ATOM 402 C ILE A 26 -0.545 -13.446 3.442 1.00 0.17 C ATOM 403 O ILE A 26 -0.625 -12.767 2.438 1.00 0.33 O ATOM 404 CB ILE A 26 1.569 -14.479 4.224 1.00 0.18 C ATOM 405 CG1 ILE A 26 2.696 -14.050 3.269 1.00 0.70 C ATOM 406 CG2 ILE A 26 1.987 -15.787 4.908 1.00 0.53 C ATOM 407 CD1 ILE A 26 2.336 -12.713 2.618 1.00 1.94 C ATOM 0 H ILE A 26 1.361 -14.664 1.629 1.00 0.14 H new ATOM 0 HA ILE A 26 -0.347 -15.503 3.928 1.00 0.14 H new ATOM 0 HB ILE A 26 1.402 -13.684 4.951 1.00 0.18 H new ATOM 0 HG12 ILE A 26 3.635 -13.959 3.816 1.00 0.70 H new ATOM 0 HG13 ILE A 26 2.846 -14.810 2.503 1.00 0.70 H new ATOM 0 HG21 ILE A 26 2.914 -15.629 5.460 1.00 0.53 H new ATOM 0 HG22 ILE A 26 1.204 -16.104 5.597 1.00 0.53 H new ATOM 0 HG23 ILE A 26 2.141 -16.559 4.154 1.00 0.53 H new ATOM 0 HD11 ILE A 26 3.136 -12.411 1.942 1.00 1.94 H new ATOM 0 HD12 ILE A 26 1.407 -12.820 2.057 1.00 1.94 H new ATOM 0 HD13 ILE A 26 2.208 -11.955 3.391 1.00 1.94 H new ATOM 419 N LYS A 27 -1.128 -13.131 4.567 1.00 0.12 N ATOM 420 CA LYS A 27 -1.926 -11.902 4.629 1.00 0.11 C ATOM 421 C LYS A 27 -1.080 -10.727 4.201 1.00 0.13 C ATOM 422 O LYS A 27 -0.020 -10.488 4.739 1.00 0.18 O ATOM 423 CB LYS A 27 -2.435 -11.672 6.059 1.00 0.16 C ATOM 424 CG LYS A 27 -3.015 -10.242 6.167 1.00 0.11 C ATOM 425 CD LYS A 27 -2.036 -9.316 6.902 1.00 0.26 C ATOM 426 CE LYS A 27 -2.374 -9.318 8.394 1.00 0.22 C ATOM 427 NZ LYS A 27 -1.353 -8.555 9.162 1.00 2.27 N ATOM 0 H LYS A 27 -1.080 -13.673 5.430 1.00 0.12 H new ATOM 0 HA LYS A 27 -2.780 -12.002 3.959 1.00 0.11 H new ATOM 0 HB2 LYS A 27 -3.200 -12.408 6.309 1.00 0.16 H new ATOM 0 HB3 LYS A 27 -1.622 -11.803 6.773 1.00 0.16 H new ATOM 0 HG2 LYS A 27 -3.217 -9.849 5.170 1.00 0.11 H new ATOM 0 HG3 LYS A 27 -3.967 -10.269 6.698 1.00 0.11 H new ATOM 0 HD2 LYS A 27 -1.011 -9.653 6.748 1.00 0.26 H new ATOM 0 HD3 LYS A 27 -2.102 -8.304 6.502 1.00 0.26 H new ATOM 0 HE2 LYS A 27 -3.359 -8.878 8.550 1.00 0.22 H new ATOM 0 HE3 LYS A 27 -2.422 -10.343 8.761 1.00 0.22 H new ATOM 0 HZ1 LYS A 27 -1.598 -8.567 10.173 1.00 2.27 H new ATOM 0 HZ2 LYS A 27 -0.419 -8.992 9.027 1.00 2.27 H new ATOM 0 HZ3 LYS A 27 -1.327 -7.572 8.824 1.00 2.27 H new ATOM 441 N SER A 28 -1.607 -10.074 3.213 1.00 0.21 N ATOM 442 CA SER A 28 -0.990 -8.869 2.588 1.00 0.22 C ATOM 443 C SER A 28 -0.505 -9.212 1.188 1.00 0.25 C ATOM 444 O SER A 28 -0.069 -8.354 0.445 1.00 0.36 O ATOM 445 CB SER A 28 0.191 -8.322 3.412 1.00 0.17 C ATOM 446 OG SER A 28 1.226 -9.277 3.232 1.00 2.56 O ATOM 0 H SER A 28 -2.494 -10.341 2.786 1.00 0.21 H new ATOM 0 HA SER A 28 -1.756 -8.095 2.550 1.00 0.22 H new ATOM 0 HB2 SER A 28 0.496 -7.336 3.061 1.00 0.17 H new ATOM 0 HB3 SER A 28 -0.074 -8.218 4.464 1.00 0.17 H new ATOM 0 HG SER A 28 1.221 -9.909 3.981 1.00 2.56 H new ATOM 452 N ALA A 29 -0.599 -10.469 0.856 1.00 0.16 N ATOM 453 CA ALA A 29 -0.155 -10.900 -0.488 1.00 0.19 C ATOM 454 C ALA A 29 -1.011 -10.225 -1.544 1.00 0.22 C ATOM 455 O ALA A 29 -2.188 -10.016 -1.332 1.00 0.18 O ATOM 456 CB ALA A 29 -0.354 -12.413 -0.595 1.00 0.17 C ATOM 0 H ALA A 29 -0.962 -11.209 1.457 1.00 0.16 H new ATOM 0 HA ALA A 29 0.891 -10.634 -0.638 1.00 0.19 H new ATOM 0 HB1 ALA A 29 -0.033 -12.754 -1.579 1.00 0.17 H new ATOM 0 HB2 ALA A 29 0.237 -12.913 0.173 1.00 0.17 H new ATOM 0 HB3 ALA A 29 -1.408 -12.652 -0.455 1.00 0.17 H new ATOM 462 N ILE A 30 -0.414 -9.904 -2.659 1.00 0.30 N ATOM 463 CA ILE A 30 -1.183 -9.242 -3.736 1.00 0.33 C ATOM 464 C ILE A 30 -1.152 -10.105 -4.994 1.00 0.37 C ATOM 465 O ILE A 30 -0.098 -10.386 -5.529 1.00 0.70 O ATOM 466 CB ILE A 30 -0.530 -7.895 -4.033 1.00 0.40 C ATOM 467 CG1 ILE A 30 0.084 -7.306 -2.760 1.00 0.36 C ATOM 468 CG2 ILE A 30 -1.621 -6.940 -4.530 1.00 0.46 C ATOM 469 CD1 ILE A 30 1.550 -7.734 -2.661 1.00 2.50 C ATOM 0 H ILE A 30 0.570 -10.073 -2.865 1.00 0.30 H new ATOM 0 HA ILE A 30 -2.218 -9.103 -3.425 1.00 0.33 H new ATOM 0 HB ILE A 30 0.254 -8.028 -4.778 1.00 0.40 H new ATOM 0 HG12 ILE A 30 0.011 -6.219 -2.777 1.00 0.36 H new ATOM 0 HG13 ILE A 30 -0.467 -7.649 -1.884 1.00 0.36 H new ATOM 0 HG21 ILE A 30 -1.181 -5.968 -4.750 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -2.075 -7.346 -5.434 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -2.384 -6.827 -3.760 1.00 0.46 H new ATOM 0 HD11 ILE A 30 1.991 -7.316 -1.756 1.00 2.50 H new ATOM 0 HD12 ILE A 30 1.610 -8.822 -2.625 1.00 2.50 H new ATOM 0 HD13 ILE A 30 2.095 -7.369 -3.531 1.00 2.50 H new ATOM 481 N ILE A 31 -2.311 -10.501 -5.437 1.00 0.23 N ATOM 482 CA ILE A 31 -2.401 -11.351 -6.652 1.00 0.22 C ATOM 483 C ILE A 31 -2.970 -10.536 -7.824 1.00 0.22 C ATOM 484 O ILE A 31 -3.709 -9.603 -7.600 1.00 0.20 O ATOM 485 CB ILE A 31 -3.308 -12.524 -6.271 1.00 0.19 C ATOM 486 CG1 ILE A 31 -2.729 -13.183 -5.004 1.00 0.15 C ATOM 487 CG2 ILE A 31 -3.310 -13.538 -7.419 1.00 0.21 C ATOM 488 CD1 ILE A 31 -3.577 -14.383 -4.583 1.00 0.23 C ATOM 0 H ILE A 31 -3.206 -10.270 -5.005 1.00 0.23 H new ATOM 0 HA ILE A 31 -1.427 -11.714 -6.980 1.00 0.22 H new ATOM 0 HB ILE A 31 -4.327 -12.183 -6.085 1.00 0.19 H new ATOM 0 HG12 ILE A 31 -1.704 -13.503 -5.191 1.00 0.15 H new ATOM 0 HG13 ILE A 31 -2.693 -12.455 -4.194 1.00 0.15 H new ATOM 0 HG21 ILE A 31 -3.953 -14.379 -7.160 1.00 0.21 H new ATOM 0 HG22 ILE A 31 -3.684 -13.061 -8.325 1.00 0.21 H new ATOM 0 HG23 ILE A 31 -2.295 -13.896 -7.590 1.00 0.21 H new ATOM 0 HD11 ILE A 31 -3.151 -14.833 -3.687 1.00 0.23 H new ATOM 0 HD12 ILE A 31 -4.595 -14.054 -4.375 1.00 0.23 H new ATOM 0 HD13 ILE A 31 -3.591 -15.119 -5.387 1.00 0.23 H new ATOM 500 N GLN A 32 -2.608 -10.889 -9.049 1.00 0.24 N ATOM 501 CA GLN A 32 -3.133 -10.118 -10.228 1.00 0.22 C ATOM 502 C GLN A 32 -4.047 -10.955 -11.115 1.00 0.22 C ATOM 503 O GLN A 32 -4.083 -12.164 -11.008 1.00 0.27 O ATOM 504 CB GLN A 32 -1.939 -9.664 -11.072 1.00 0.27 C ATOM 505 CG GLN A 32 -1.036 -8.771 -10.223 1.00 0.30 C ATOM 506 CD GLN A 32 -0.887 -7.413 -10.905 1.00 1.10 C ATOM 507 OE1 GLN A 32 -0.779 -7.317 -12.112 1.00 1.62 O ATOM 508 NE2 GLN A 32 -0.867 -6.338 -10.168 1.00 1.51 N ATOM 0 H GLN A 32 -1.984 -11.663 -9.275 1.00 0.24 H new ATOM 0 HA GLN A 32 -3.713 -9.279 -9.845 1.00 0.22 H new ATOM 0 HB2 GLN A 32 -1.382 -10.529 -11.431 1.00 0.27 H new ATOM 0 HB3 GLN A 32 -2.285 -9.121 -11.951 1.00 0.27 H new ATOM 0 HG2 GLN A 32 -1.461 -8.646 -9.227 1.00 0.30 H new ATOM 0 HG3 GLN A 32 -0.059 -9.237 -10.097 1.00 0.30 H new ATOM 0 HE21 GLN A 32 -0.957 -6.413 -9.155 1.00 1.51 H new ATOM 0 HE22 GLN A 32 -0.761 -5.422 -10.605 1.00 1.51 H new ATOM 517 N ASN A 33 -4.763 -10.281 -11.988 1.00 0.24 N ATOM 518 CA ASN A 33 -5.686 -11.011 -12.897 1.00 0.28 C ATOM 519 C ASN A 33 -6.452 -11.976 -12.042 1.00 0.26 C ATOM 520 O ASN A 33 -6.068 -13.118 -11.879 1.00 0.46 O ATOM 521 CB ASN A 33 -4.876 -11.773 -13.953 1.00 0.39 C ATOM 522 CG ASN A 33 -4.572 -10.841 -15.130 1.00 0.57 C ATOM 523 OD1 ASN A 33 -5.508 -10.040 -15.563 1.00 1.35 O flip ATOM 524 ND2 ASN A 33 -3.483 -10.837 -15.669 1.00 2.09 N flip ATOM 0 H ASN A 33 -4.744 -9.268 -12.104 1.00 0.24 H new ATOM 0 HA ASN A 33 -6.358 -10.327 -13.416 1.00 0.28 H new ATOM 0 HB2 ASN A 33 -3.947 -12.143 -13.518 1.00 0.39 H new ATOM 0 HB3 ASN A 33 -5.435 -12.643 -14.298 1.00 0.39 H new ATOM 0 HD21 ASN A 33 -2.747 -11.460 -15.336 1.00 2.09 H new ATOM 0 HD22 ASN A 33 -3.305 -10.211 -16.454 1.00 2.09 H new ATOM 531 N VAL A 34 -7.529 -11.481 -11.519 1.00 0.19 N ATOM 532 CA VAL A 34 -8.365 -12.320 -10.649 1.00 0.22 C ATOM 533 C VAL A 34 -9.819 -12.436 -11.098 1.00 0.32 C ATOM 534 O VAL A 34 -10.344 -11.563 -11.761 1.00 0.51 O ATOM 535 CB VAL A 34 -8.258 -11.629 -9.291 1.00 0.34 C ATOM 536 CG1 VAL A 34 -9.603 -11.084 -8.816 1.00 0.60 C ATOM 537 CG2 VAL A 34 -7.701 -12.624 -8.310 1.00 0.15 C ATOM 0 H VAL A 34 -7.863 -10.528 -11.660 1.00 0.19 H new ATOM 0 HA VAL A 34 -8.022 -13.355 -10.652 1.00 0.22 H new ATOM 0 HB VAL A 34 -7.597 -10.767 -9.375 1.00 0.34 H new ATOM 0 HG11 VAL A 34 -9.478 -10.601 -7.847 1.00 0.60 H new ATOM 0 HG12 VAL A 34 -9.977 -10.357 -9.538 1.00 0.60 H new ATOM 0 HG13 VAL A 34 -10.316 -11.904 -8.724 1.00 0.60 H new ATOM 0 HG21 VAL A 34 -7.613 -12.157 -7.329 1.00 0.15 H new ATOM 0 HG22 VAL A 34 -8.368 -13.483 -8.245 1.00 0.15 H new ATOM 0 HG23 VAL A 34 -6.717 -12.953 -8.645 1.00 0.15 H new ATOM 547 N GLU A 35 -10.439 -13.530 -10.708 1.00 0.26 N ATOM 548 CA GLU A 35 -11.862 -13.753 -11.089 1.00 0.39 C ATOM 549 C GLU A 35 -12.438 -15.018 -10.428 1.00 0.36 C ATOM 550 O GLU A 35 -12.104 -16.126 -10.800 1.00 0.38 O ATOM 551 CB GLU A 35 -11.931 -13.937 -12.616 1.00 0.51 C ATOM 552 CG GLU A 35 -13.359 -13.683 -13.122 1.00 0.49 C ATOM 553 CD GLU A 35 -13.918 -14.974 -13.721 1.00 1.51 C ATOM 554 OE1 GLU A 35 -13.648 -15.188 -14.890 1.00 2.00 O ATOM 555 OE2 GLU A 35 -14.588 -15.671 -12.976 1.00 2.09 O ATOM 0 H GLU A 35 -10.018 -14.270 -10.146 1.00 0.26 H new ATOM 0 HA GLU A 35 -12.444 -12.894 -10.756 1.00 0.39 H new ATOM 0 HB2 GLU A 35 -11.238 -13.251 -13.103 1.00 0.51 H new ATOM 0 HB3 GLU A 35 -11.619 -14.947 -12.881 1.00 0.51 H new ATOM 0 HG2 GLU A 35 -13.993 -13.344 -12.303 1.00 0.49 H new ATOM 0 HG3 GLU A 35 -13.357 -12.892 -13.872 1.00 0.49 H new ATOM 562 N LYS A 36 -13.292 -14.819 -9.458 1.00 0.39 N ATOM 563 CA LYS A 36 -13.919 -15.982 -8.748 1.00 0.39 C ATOM 564 C LYS A 36 -14.437 -16.989 -9.764 1.00 0.59 C ATOM 565 O LYS A 36 -15.032 -16.623 -10.760 1.00 1.01 O ATOM 566 CB LYS A 36 -15.106 -15.456 -7.917 1.00 0.54 C ATOM 567 CG LYS A 36 -15.319 -13.965 -8.214 1.00 0.47 C ATOM 568 CD LYS A 36 -16.591 -13.477 -7.523 1.00 0.65 C ATOM 569 CE LYS A 36 -16.599 -11.946 -7.540 1.00 0.81 C ATOM 570 NZ LYS A 36 -16.159 -11.440 -8.874 1.00 0.99 N ATOM 0 H LYS A 36 -13.585 -13.901 -9.124 1.00 0.39 H new ATOM 0 HA LYS A 36 -13.182 -16.466 -8.107 1.00 0.39 H new ATOM 0 HB2 LYS A 36 -16.009 -16.018 -8.157 1.00 0.54 H new ATOM 0 HB3 LYS A 36 -14.913 -15.602 -6.854 1.00 0.54 H new ATOM 0 HG2 LYS A 36 -14.461 -13.389 -7.866 1.00 0.47 H new ATOM 0 HG3 LYS A 36 -15.395 -13.806 -9.290 1.00 0.47 H new ATOM 0 HD2 LYS A 36 -17.472 -13.866 -8.034 1.00 0.65 H new ATOM 0 HD3 LYS A 36 -16.629 -13.844 -6.497 1.00 0.65 H new ATOM 0 HE2 LYS A 36 -17.600 -11.578 -7.316 1.00 0.81 H new ATOM 0 HE3 LYS A 36 -15.938 -11.563 -6.762 1.00 0.81 H new ATOM 0 HZ1 LYS A 36 -16.495 -10.464 -9.003 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -15.121 -11.458 -8.927 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -16.555 -12.044 -9.622 1.00 0.99 H new ATOM 584 N GLN A 37 -14.200 -18.236 -9.477 1.00 0.50 N ATOM 585 CA GLN A 37 -14.648 -19.315 -10.384 1.00 0.58 C ATOM 586 C GLN A 37 -15.792 -20.113 -9.752 1.00 1.15 C ATOM 587 O GLN A 37 -15.837 -20.295 -8.553 1.00 1.33 O ATOM 588 CB GLN A 37 -13.420 -20.202 -10.649 1.00 0.35 C ATOM 589 CG GLN A 37 -13.852 -21.635 -10.985 1.00 1.11 C ATOM 590 CD GLN A 37 -14.127 -22.410 -9.695 1.00 3.86 C ATOM 591 OE1 GLN A 37 -13.569 -22.127 -8.662 1.00 5.26 O ATOM 592 NE2 GLN A 37 -14.980 -23.398 -9.714 1.00 4.90 N ATOM 0 H GLN A 37 -13.709 -18.553 -8.641 1.00 0.50 H new ATOM 0 HA GLN A 37 -15.036 -18.911 -11.319 1.00 0.58 H new ATOM 0 HB2 GLN A 37 -12.837 -19.789 -11.473 1.00 0.35 H new ATOM 0 HB3 GLN A 37 -12.773 -20.208 -9.772 1.00 0.35 H new ATOM 0 HG2 GLN A 37 -14.747 -21.618 -11.608 1.00 1.11 H new ATOM 0 HG3 GLN A 37 -13.072 -22.134 -11.561 1.00 1.11 H new ATOM 0 HE21 GLN A 37 -15.456 -23.644 -10.582 1.00 4.90 H new ATOM 0 HE22 GLN A 37 -15.170 -23.924 -8.861 1.00 4.90 H new ATOM 601 N GLU A 38 -16.685 -20.572 -10.589 1.00 1.43 N ATOM 602 CA GLU A 38 -17.862 -21.364 -10.112 1.00 2.02 C ATOM 603 C GLU A 38 -17.587 -22.219 -8.870 1.00 0.70 C ATOM 604 O GLU A 38 -17.334 -23.403 -8.979 1.00 1.41 O ATOM 605 CB GLU A 38 -18.300 -22.308 -11.238 1.00 3.63 C ATOM 606 CG GLU A 38 -18.685 -21.494 -12.479 1.00 4.90 C ATOM 607 CD GLU A 38 -20.166 -21.111 -12.396 1.00 6.03 C ATOM 608 OE1 GLU A 38 -20.497 -20.421 -11.445 1.00 7.70 O ATOM 609 OE2 GLU A 38 -20.883 -21.532 -13.288 1.00 5.34 O ATOM 0 H GLU A 38 -16.650 -20.430 -11.599 1.00 1.43 H new ATOM 0 HA GLU A 38 -18.628 -20.638 -9.839 1.00 2.02 H new ATOM 0 HB2 GLU A 38 -17.492 -22.998 -11.481 1.00 3.63 H new ATOM 0 HB3 GLU A 38 -19.147 -22.911 -10.910 1.00 3.63 H new ATOM 0 HG2 GLU A 38 -18.069 -20.597 -12.545 1.00 4.90 H new ATOM 0 HG3 GLU A 38 -18.498 -22.076 -13.382 1.00 4.90 H new ATOM 616 N GLY A 39 -17.641 -21.613 -7.715 1.00 0.49 N ATOM 617 CA GLY A 39 -17.392 -22.396 -6.473 1.00 1.64 C ATOM 618 C GLY A 39 -16.944 -21.471 -5.347 1.00 1.91 C ATOM 619 O GLY A 39 -17.036 -21.814 -4.183 1.00 3.98 O ATOM 0 H GLY A 39 -17.844 -20.623 -7.579 1.00 0.49 H new ATOM 0 HA2 GLY A 39 -18.299 -22.924 -6.180 1.00 1.64 H new ATOM 0 HA3 GLY A 39 -16.629 -23.152 -6.658 1.00 1.64 H new ATOM 623 N GLY A 40 -16.463 -20.319 -5.716 1.00 0.67 N ATOM 624 CA GLY A 40 -16.000 -19.358 -4.685 1.00 0.48 C ATOM 625 C GLY A 40 -14.485 -19.491 -4.527 1.00 0.25 C ATOM 626 O GLY A 40 -13.973 -19.529 -3.427 1.00 0.32 O ATOM 0 H GLY A 40 -16.371 -20.004 -6.682 1.00 0.67 H new ATOM 0 HA2 GLY A 40 -16.261 -18.340 -4.975 1.00 0.48 H new ATOM 0 HA3 GLY A 40 -16.497 -19.556 -3.735 1.00 0.48 H new ATOM 630 N TRP A 41 -13.808 -19.578 -5.646 1.00 0.09 N ATOM 631 CA TRP A 41 -12.325 -19.712 -5.612 1.00 0.18 C ATOM 632 C TRP A 41 -11.800 -18.732 -6.621 1.00 0.22 C ATOM 633 O TRP A 41 -12.389 -18.558 -7.656 1.00 0.33 O ATOM 634 CB TRP A 41 -11.925 -21.171 -5.883 1.00 0.38 C ATOM 635 CG TRP A 41 -12.477 -21.930 -4.680 1.00 0.38 C ATOM 636 CD1 TRP A 41 -13.780 -22.198 -4.538 1.00 0.38 C ATOM 637 CD2 TRP A 41 -11.888 -21.989 -3.476 1.00 0.38 C ATOM 638 NE1 TRP A 41 -13.946 -22.369 -3.230 1.00 0.33 N ATOM 639 CE2 TRP A 41 -12.825 -22.244 -2.491 1.00 0.32 C ATOM 640 CE3 TRP A 41 -10.565 -21.828 -3.128 1.00 0.42 C ATOM 641 CZ2 TRP A 41 -12.449 -22.298 -1.166 1.00 0.30 C ATOM 642 CZ3 TRP A 41 -10.183 -21.901 -1.805 1.00 0.42 C ATOM 643 CH2 TRP A 41 -11.133 -22.125 -0.814 1.00 0.36 C ATOM 0 H TRP A 41 -14.221 -19.562 -6.579 1.00 0.09 H new ATOM 0 HA TRP A 41 -11.894 -19.481 -4.638 1.00 0.18 H new ATOM 0 HB2 TRP A 41 -12.353 -21.536 -6.817 1.00 0.38 H new ATOM 0 HB3 TRP A 41 -10.844 -21.281 -5.963 1.00 0.38 H new ATOM 0 HD1 TRP A 41 -14.530 -22.261 -5.313 1.00 0.38 H new ATOM 0 HE1 TRP A 41 -14.854 -22.579 -2.816 1.00 0.33 H new ATOM 0 HE3 TRP A 41 -9.825 -21.644 -3.893 1.00 0.42 H new ATOM 0 HZ2 TRP A 41 -13.192 -22.477 -0.402 1.00 0.30 H new ATOM 0 HZ3 TRP A 41 -9.143 -21.784 -1.538 1.00 0.42 H new ATOM 0 HH2 TRP A 41 -10.838 -22.163 0.224 1.00 0.36 H new ATOM 654 N TRP A 42 -10.703 -18.124 -6.308 1.00 0.14 N ATOM 655 CA TRP A 42 -10.133 -17.123 -7.237 1.00 0.09 C ATOM 656 C TRP A 42 -8.837 -17.536 -7.938 1.00 0.07 C ATOM 657 O TRP A 42 -8.060 -18.274 -7.397 1.00 0.31 O ATOM 658 CB TRP A 42 -9.761 -15.955 -6.336 1.00 0.07 C ATOM 659 CG TRP A 42 -11.004 -15.350 -5.699 1.00 0.08 C ATOM 660 CD1 TRP A 42 -12.015 -16.076 -5.196 1.00 0.14 C ATOM 661 CD2 TRP A 42 -11.291 -14.058 -5.653 1.00 0.09 C ATOM 662 NE1 TRP A 42 -12.916 -15.155 -4.903 1.00 0.18 N ATOM 663 CE2 TRP A 42 -12.554 -13.884 -5.135 1.00 0.15 C ATOM 664 CE3 TRP A 42 -10.507 -12.962 -5.931 1.00 0.08 C ATOM 665 CZ2 TRP A 42 -13.051 -12.629 -4.900 1.00 0.18 C ATOM 666 CZ3 TRP A 42 -11.007 -11.694 -5.683 1.00 0.10 C ATOM 667 CH2 TRP A 42 -12.280 -11.532 -5.173 1.00 0.14 C ATOM 0 H TRP A 42 -10.174 -18.275 -5.449 1.00 0.14 H new ATOM 0 HA TRP A 42 -10.863 -16.938 -8.025 1.00 0.09 H new ATOM 0 HB2 TRP A 42 -9.076 -16.293 -5.559 1.00 0.07 H new ATOM 0 HB3 TRP A 42 -9.236 -15.195 -6.915 1.00 0.07 H new ATOM 0 HD1 TRP A 42 -12.077 -17.146 -5.064 1.00 0.14 H new ATOM 0 HE1 TRP A 42 -13.832 -15.396 -4.523 1.00 0.18 H new ATOM 0 HE3 TRP A 42 -9.514 -13.089 -6.337 1.00 0.08 H new ATOM 0 HZ2 TRP A 42 -14.047 -12.506 -4.501 1.00 0.18 H new ATOM 0 HZ3 TRP A 42 -10.397 -10.827 -5.890 1.00 0.10 H new ATOM 0 HH2 TRP A 42 -12.667 -10.540 -4.990 1.00 0.14 H new ATOM 678 N ARG A 43 -8.610 -16.987 -9.111 1.00 0.21 N ATOM 679 CA ARG A 43 -7.366 -17.320 -9.871 1.00 0.24 C ATOM 680 C ARG A 43 -6.477 -16.078 -9.954 1.00 0.24 C ATOM 681 O ARG A 43 -6.880 -15.021 -9.536 1.00 0.25 O ATOM 682 CB ARG A 43 -7.737 -17.671 -11.306 1.00 0.28 C ATOM 683 CG ARG A 43 -7.316 -19.104 -11.633 1.00 0.37 C ATOM 684 CD ARG A 43 -7.717 -19.411 -13.078 1.00 0.45 C ATOM 685 NE ARG A 43 -7.753 -20.888 -13.275 1.00 0.64 N ATOM 686 CZ ARG A 43 -8.237 -21.370 -14.386 1.00 0.87 C ATOM 687 NH1 ARG A 43 -9.298 -20.814 -14.905 1.00 0.93 N ATOM 688 NH2 ARG A 43 -7.643 -22.390 -14.942 1.00 1.09 N ATOM 0 H ARG A 43 -9.233 -16.324 -9.572 1.00 0.21 H new ATOM 0 HA ARG A 43 -6.859 -18.145 -9.370 1.00 0.24 H new ATOM 0 HB2 ARG A 43 -8.812 -17.560 -11.447 1.00 0.28 H new ATOM 0 HB3 ARG A 43 -7.252 -16.978 -11.993 1.00 0.28 H new ATOM 0 HG2 ARG A 43 -6.240 -19.221 -11.506 1.00 0.37 H new ATOM 0 HG3 ARG A 43 -7.796 -19.805 -10.950 1.00 0.37 H new ATOM 0 HD2 ARG A 43 -8.694 -18.979 -13.296 1.00 0.45 H new ATOM 0 HD3 ARG A 43 -7.007 -18.957 -13.769 1.00 0.45 H new ATOM 0 HE ARG A 43 -7.403 -21.514 -12.550 1.00 0.64 H new ATOM 0 HH11 ARG A 43 -9.734 -20.016 -14.442 1.00 0.93 H new ATOM 0 HH12 ARG A 43 -9.691 -21.177 -15.773 1.00 0.93 H new ATOM 0 HH21 ARG A 43 -6.815 -22.797 -14.508 1.00 1.09 H new ATOM 0 HH22 ARG A 43 -8.007 -22.781 -15.811 1.00 1.09 H new ATOM 702 N GLY A 44 -5.286 -16.221 -10.494 1.00 0.24 N ATOM 703 CA GLY A 44 -4.362 -15.045 -10.607 1.00 0.23 C ATOM 704 C GLY A 44 -2.930 -15.421 -10.160 1.00 0.23 C ATOM 705 O GLY A 44 -2.729 -16.228 -9.277 1.00 0.24 O ATOM 0 H GLY A 44 -4.916 -17.098 -10.860 1.00 0.24 H new ATOM 0 HA2 GLY A 44 -4.344 -14.690 -11.637 1.00 0.23 H new ATOM 0 HA3 GLY A 44 -4.735 -14.225 -9.994 1.00 0.23 H new ATOM 709 N ASP A 45 -1.974 -14.824 -10.814 1.00 0.23 N ATOM 710 CA ASP A 45 -0.532 -15.088 -10.495 1.00 0.23 C ATOM 711 C ASP A 45 -0.060 -14.534 -9.141 1.00 0.21 C ATOM 712 O ASP A 45 -0.480 -13.489 -8.697 1.00 0.38 O ATOM 713 CB ASP A 45 0.310 -14.441 -11.608 1.00 0.34 C ATOM 714 CG ASP A 45 0.633 -12.979 -11.278 1.00 0.75 C ATOM 715 OD1 ASP A 45 1.381 -12.779 -10.336 1.00 0.94 O ATOM 716 OD2 ASP A 45 0.137 -12.144 -12.013 1.00 1.29 O ATOM 0 H ASP A 45 -2.127 -14.154 -11.568 1.00 0.23 H new ATOM 0 HA ASP A 45 -0.411 -16.169 -10.432 1.00 0.23 H new ATOM 0 HB2 ASP A 45 1.236 -15.000 -11.739 1.00 0.34 H new ATOM 0 HB3 ASP A 45 -0.230 -14.493 -12.553 1.00 0.34 H new ATOM 721 N TYR A 46 0.853 -15.265 -8.542 1.00 0.29 N ATOM 722 CA TYR A 46 1.426 -14.870 -7.219 1.00 0.25 C ATOM 723 C TYR A 46 2.798 -15.523 -7.064 1.00 0.34 C ATOM 724 O TYR A 46 2.905 -16.646 -6.609 1.00 1.18 O ATOM 725 CB TYR A 46 0.510 -15.380 -6.088 1.00 0.16 C ATOM 726 CG TYR A 46 0.906 -14.674 -4.789 1.00 0.13 C ATOM 727 CD1 TYR A 46 0.921 -13.297 -4.748 1.00 0.18 C ATOM 728 CD2 TYR A 46 1.393 -15.379 -3.688 1.00 0.07 C ATOM 729 CE1 TYR A 46 1.425 -12.629 -3.674 1.00 0.21 C ATOM 730 CE2 TYR A 46 1.900 -14.691 -2.601 1.00 0.11 C ATOM 731 CZ TYR A 46 1.919 -13.313 -2.586 1.00 0.18 C ATOM 732 OH TYR A 46 2.439 -12.630 -1.504 1.00 0.24 O ATOM 0 H TYR A 46 1.229 -16.133 -8.923 1.00 0.29 H new ATOM 0 HA TYR A 46 1.510 -13.785 -7.166 1.00 0.25 H new ATOM 0 HB2 TYR A 46 -0.534 -15.178 -6.326 1.00 0.16 H new ATOM 0 HB3 TYR A 46 0.609 -16.460 -5.978 1.00 0.16 H new ATOM 0 HD1 TYR A 46 0.526 -12.737 -5.583 1.00 0.18 H new ATOM 0 HD2 TYR A 46 1.374 -16.459 -3.685 1.00 0.07 H new ATOM 0 HE1 TYR A 46 1.437 -11.549 -3.676 1.00 0.21 H new ATOM 0 HE2 TYR A 46 2.285 -15.240 -1.754 1.00 0.11 H new ATOM 0 HH TYR A 46 2.741 -13.271 -0.827 1.00 0.24 H new ATOM 742 N GLY A 47 3.824 -14.804 -7.441 1.00 0.54 N ATOM 743 CA GLY A 47 5.204 -15.365 -7.328 1.00 0.52 C ATOM 744 C GLY A 47 5.668 -15.859 -8.703 1.00 0.56 C ATOM 745 O GLY A 47 5.399 -15.233 -9.709 1.00 0.69 O ATOM 0 H GLY A 47 3.767 -13.859 -7.820 1.00 0.54 H new ATOM 0 HA2 GLY A 47 5.888 -14.604 -6.953 1.00 0.52 H new ATOM 0 HA3 GLY A 47 5.217 -16.186 -6.611 1.00 0.52 H new ATOM 749 N GLY A 48 6.357 -16.970 -8.724 1.00 0.47 N ATOM 750 CA GLY A 48 6.838 -17.505 -10.032 1.00 0.55 C ATOM 751 C GLY A 48 5.735 -18.342 -10.690 1.00 0.44 C ATOM 752 O GLY A 48 5.935 -18.940 -11.728 1.00 0.34 O ATOM 0 H GLY A 48 6.605 -17.524 -7.904 1.00 0.47 H new ATOM 0 HA2 GLY A 48 7.123 -16.683 -10.688 1.00 0.55 H new ATOM 0 HA3 GLY A 48 7.728 -18.115 -9.880 1.00 0.55 H new ATOM 756 N LYS A 49 4.597 -18.366 -10.054 1.00 0.61 N ATOM 757 CA LYS A 49 3.449 -19.144 -10.597 1.00 0.57 C ATOM 758 C LYS A 49 2.568 -18.265 -11.475 1.00 0.38 C ATOM 759 O LYS A 49 2.842 -17.094 -11.655 1.00 0.37 O ATOM 760 CB LYS A 49 2.581 -19.618 -9.421 1.00 0.84 C ATOM 761 CG LYS A 49 3.462 -20.141 -8.274 1.00 1.95 C ATOM 762 CD LYS A 49 4.182 -21.424 -8.703 1.00 2.51 C ATOM 763 CE LYS A 49 4.217 -22.379 -7.510 1.00 3.58 C ATOM 764 NZ LYS A 49 4.540 -21.629 -6.262 1.00 5.75 N ATOM 0 H LYS A 49 4.412 -17.878 -9.178 1.00 0.61 H new ATOM 0 HA LYS A 49 3.841 -19.977 -11.180 1.00 0.57 H new ATOM 0 HB2 LYS A 49 1.961 -18.795 -9.065 1.00 0.84 H new ATOM 0 HB3 LYS A 49 1.905 -20.405 -9.755 1.00 0.84 H new ATOM 0 HG2 LYS A 49 4.192 -19.383 -7.992 1.00 1.95 H new ATOM 0 HG3 LYS A 49 2.849 -20.336 -7.394 1.00 1.95 H new ATOM 0 HD2 LYS A 49 3.665 -21.886 -9.544 1.00 2.51 H new ATOM 0 HD3 LYS A 49 5.194 -21.197 -9.037 1.00 2.51 H new ATOM 0 HE2 LYS A 49 3.253 -22.877 -7.405 1.00 3.58 H new ATOM 0 HE3 LYS A 49 4.961 -23.157 -7.679 1.00 3.58 H new ATOM 0 HZ1 LYS A 49 5.346 -22.081 -5.784 1.00 5.75 H new ATOM 0 HZ2 LYS A 49 4.785 -20.647 -6.501 1.00 5.75 H new ATOM 0 HZ3 LYS A 49 3.715 -21.636 -5.629 1.00 5.75 H new ATOM 778 N LYS A 50 1.526 -18.844 -12.011 1.00 0.31 N ATOM 779 CA LYS A 50 0.628 -18.046 -12.869 1.00 0.16 C ATOM 780 C LYS A 50 -0.798 -18.586 -12.880 1.00 0.13 C ATOM 781 O LYS A 50 -1.100 -19.565 -13.531 1.00 0.30 O ATOM 782 CB LYS A 50 1.151 -18.030 -14.302 1.00 0.12 C ATOM 783 CG LYS A 50 0.833 -16.656 -14.889 1.00 0.06 C ATOM 784 CD LYS A 50 0.827 -16.733 -16.414 1.00 0.31 C ATOM 785 CE LYS A 50 1.260 -15.381 -16.979 1.00 0.77 C ATOM 786 NZ LYS A 50 2.742 -15.247 -16.914 1.00 1.01 N ATOM 0 H LYS A 50 1.267 -19.823 -11.889 1.00 0.31 H new ATOM 0 HA LYS A 50 0.610 -17.039 -12.453 1.00 0.16 H new ATOM 0 HB2 LYS A 50 2.225 -18.216 -14.321 1.00 0.12 H new ATOM 0 HB3 LYS A 50 0.681 -18.817 -14.891 1.00 0.12 H new ATOM 0 HG2 LYS A 50 -0.137 -16.313 -14.529 1.00 0.06 H new ATOM 0 HG3 LYS A 50 1.573 -15.928 -14.556 1.00 0.06 H new ATOM 0 HD2 LYS A 50 1.503 -17.518 -16.755 1.00 0.31 H new ATOM 0 HD3 LYS A 50 -0.169 -16.991 -16.775 1.00 0.31 H new ATOM 0 HE2 LYS A 50 0.924 -15.286 -18.012 1.00 0.77 H new ATOM 0 HE3 LYS A 50 0.790 -14.576 -16.415 1.00 0.77 H new ATOM 0 HZ1 LYS A 50 2.997 -14.242 -16.834 1.00 1.01 H new ATOM 0 HZ2 LYS A 50 3.101 -15.762 -16.085 1.00 1.01 H new ATOM 0 HZ3 LYS A 50 3.165 -15.644 -17.777 1.00 1.01 H new ATOM 800 N GLN A 51 -1.630 -17.924 -12.128 1.00 0.27 N ATOM 801 CA GLN A 51 -3.066 -18.311 -12.024 1.00 0.29 C ATOM 802 C GLN A 51 -3.298 -19.591 -11.238 1.00 0.15 C ATOM 803 O GLN A 51 -3.680 -20.607 -11.784 1.00 0.25 O ATOM 804 CB GLN A 51 -3.670 -18.459 -13.434 1.00 0.38 C ATOM 805 CG GLN A 51 -3.213 -17.288 -14.303 1.00 0.48 C ATOM 806 CD GLN A 51 -4.273 -17.001 -15.375 1.00 0.95 C ATOM 807 OE1 GLN A 51 -4.127 -17.372 -16.523 1.00 1.00 O ATOM 808 NE2 GLN A 51 -5.349 -16.340 -15.045 1.00 1.44 N ATOM 0 H GLN A 51 -1.370 -17.112 -11.568 1.00 0.27 H new ATOM 0 HA GLN A 51 -3.560 -17.511 -11.473 1.00 0.29 H new ATOM 0 HB2 GLN A 51 -3.355 -19.403 -13.880 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -4.758 -18.481 -13.376 1.00 0.38 H new ATOM 0 HG2 GLN A 51 -3.056 -16.403 -13.686 1.00 0.48 H new ATOM 0 HG3 GLN A 51 -2.258 -17.522 -14.774 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -5.479 -16.025 -14.084 1.00 1.44 H new ATOM 0 HE22 GLN A 51 -6.060 -16.138 -15.748 1.00 1.44 H new ATOM 817 N LEU A 52 -3.050 -19.507 -9.959 1.00 0.17 N ATOM 818 CA LEU A 52 -3.249 -20.686 -9.085 1.00 0.27 C ATOM 819 C LEU A 52 -4.624 -20.514 -8.434 1.00 0.30 C ATOM 820 O LEU A 52 -5.552 -20.145 -9.125 1.00 0.55 O ATOM 821 CB LEU A 52 -2.125 -20.713 -8.014 1.00 0.47 C ATOM 822 CG LEU A 52 -0.722 -21.029 -8.627 1.00 0.22 C ATOM 823 CD1 LEU A 52 0.042 -21.949 -7.668 1.00 0.24 C ATOM 824 CD2 LEU A 52 -0.790 -21.736 -9.990 1.00 0.24 C ATOM 0 H LEU A 52 -2.717 -18.667 -9.485 1.00 0.17 H new ATOM 0 HA LEU A 52 -3.207 -21.624 -9.638 1.00 0.27 H new ATOM 0 HB2 LEU A 52 -2.088 -19.749 -7.507 1.00 0.47 H new ATOM 0 HB3 LEU A 52 -2.365 -21.461 -7.259 1.00 0.47 H new ATOM 0 HG LEU A 52 -0.226 -20.069 -8.773 1.00 0.22 H new ATOM 0 HD11 LEU A 52 1.023 -22.176 -8.086 1.00 0.24 H new ATOM 0 HD12 LEU A 52 0.164 -21.451 -6.706 1.00 0.24 H new ATOM 0 HD13 LEU A 52 -0.517 -22.875 -7.529 1.00 0.24 H new ATOM 0 HD21 LEU A 52 0.220 -21.923 -10.354 1.00 0.24 H new ATOM 0 HD22 LEU A 52 -1.318 -22.683 -9.883 1.00 0.24 H new ATOM 0 HD23 LEU A 52 -1.320 -21.104 -10.702 1.00 0.24 H new ATOM 836 N TRP A 53 -4.763 -20.768 -7.153 1.00 0.08 N ATOM 837 CA TRP A 53 -6.125 -20.586 -6.554 1.00 0.09 C ATOM 838 C TRP A 53 -6.132 -20.004 -5.164 1.00 0.10 C ATOM 839 O TRP A 53 -5.237 -20.236 -4.378 1.00 0.13 O ATOM 840 CB TRP A 53 -6.804 -21.941 -6.405 1.00 0.17 C ATOM 841 CG TRP A 53 -7.307 -22.372 -7.769 1.00 0.27 C ATOM 842 CD1 TRP A 53 -6.727 -23.320 -8.496 1.00 0.38 C ATOM 843 CD2 TRP A 53 -8.295 -21.795 -8.455 1.00 0.30 C ATOM 844 NE1 TRP A 53 -7.399 -23.293 -9.647 1.00 0.44 N ATOM 845 CE2 TRP A 53 -8.388 -22.369 -9.712 1.00 0.38 C ATOM 846 CE3 TRP A 53 -9.124 -20.736 -8.122 1.00 0.28 C ATOM 847 CZ2 TRP A 53 -9.300 -21.885 -10.626 1.00 0.39 C ATOM 848 CZ3 TRP A 53 -10.027 -20.253 -9.050 1.00 0.29 C ATOM 849 CH2 TRP A 53 -10.110 -20.831 -10.296 1.00 0.33 C ATOM 0 H TRP A 53 -4.027 -21.080 -6.519 1.00 0.08 H new ATOM 0 HA TRP A 53 -6.628 -19.900 -7.235 1.00 0.09 H new ATOM 0 HB2 TRP A 53 -6.103 -22.676 -6.009 1.00 0.17 H new ATOM 0 HB3 TRP A 53 -7.631 -21.876 -5.698 1.00 0.17 H new ATOM 0 HD1 TRP A 53 -5.904 -23.962 -8.220 1.00 0.38 H new ATOM 0 HE1 TRP A 53 -7.185 -23.921 -10.421 1.00 0.44 H new ATOM 0 HE3 TRP A 53 -9.065 -20.289 -7.140 1.00 0.28 H new ATOM 0 HZ2 TRP A 53 -9.376 -22.338 -11.604 1.00 0.39 H new ATOM 0 HZ3 TRP A 53 -10.668 -19.421 -8.797 1.00 0.29 H new ATOM 0 HH2 TRP A 53 -10.818 -20.451 -11.018 1.00 0.33 H new ATOM 860 N PHE A 54 -7.134 -19.210 -4.907 1.00 0.09 N ATOM 861 CA PHE A 54 -7.242 -18.602 -3.564 1.00 0.11 C ATOM 862 C PHE A 54 -8.729 -18.472 -3.181 1.00 0.12 C ATOM 863 O PHE A 54 -9.520 -17.983 -3.956 1.00 0.09 O ATOM 864 CB PHE A 54 -6.616 -17.198 -3.489 1.00 0.11 C ATOM 865 CG PHE A 54 -6.043 -16.775 -4.809 1.00 0.07 C ATOM 866 CD1 PHE A 54 -4.961 -17.425 -5.332 1.00 0.06 C ATOM 867 CD2 PHE A 54 -6.647 -15.777 -5.527 1.00 0.06 C ATOM 868 CE1 PHE A 54 -4.495 -17.102 -6.572 1.00 0.07 C ATOM 869 CE2 PHE A 54 -6.198 -15.453 -6.752 1.00 0.16 C ATOM 870 CZ PHE A 54 -5.111 -16.114 -7.290 1.00 0.17 C ATOM 0 H PHE A 54 -7.873 -18.961 -5.565 1.00 0.09 H new ATOM 0 HA PHE A 54 -6.700 -19.256 -2.881 1.00 0.11 H new ATOM 0 HB2 PHE A 54 -7.372 -16.479 -3.173 1.00 0.11 H new ATOM 0 HB3 PHE A 54 -5.832 -17.189 -2.732 1.00 0.11 H new ATOM 0 HD1 PHE A 54 -4.472 -18.199 -4.760 1.00 0.06 H new ATOM 0 HD2 PHE A 54 -7.489 -15.247 -5.106 1.00 0.06 H new ATOM 0 HE1 PHE A 54 -3.644 -17.623 -6.985 1.00 0.07 H new ATOM 0 HE2 PHE A 54 -6.688 -14.674 -7.317 1.00 0.16 H new ATOM 0 HZ PHE A 54 -4.749 -15.852 -8.273 1.00 0.17 H new ATOM 880 N PRO A 55 -9.084 -18.902 -1.994 1.00 0.19 N ATOM 881 CA PRO A 55 -10.477 -18.832 -1.511 1.00 0.21 C ATOM 882 C PRO A 55 -11.123 -17.468 -1.635 1.00 0.15 C ATOM 883 O PRO A 55 -10.472 -16.440 -1.618 1.00 0.16 O ATOM 884 CB PRO A 55 -10.367 -19.123 -0.023 1.00 0.31 C ATOM 885 CG PRO A 55 -8.961 -19.720 0.232 1.00 0.37 C ATOM 886 CD PRO A 55 -8.136 -19.460 -1.011 1.00 0.26 C ATOM 0 HA PRO A 55 -11.087 -19.517 -2.100 1.00 0.21 H new ATOM 0 HB2 PRO A 55 -10.507 -18.211 0.557 1.00 0.31 H new ATOM 0 HB3 PRO A 55 -11.143 -19.822 0.289 1.00 0.31 H new ATOM 0 HG2 PRO A 55 -8.499 -19.259 1.105 1.00 0.37 H new ATOM 0 HG3 PRO A 55 -9.027 -20.789 0.434 1.00 0.37 H new ATOM 0 HD2 PRO A 55 -7.324 -18.762 -0.806 1.00 0.26 H new ATOM 0 HD3 PRO A 55 -7.680 -20.379 -1.381 1.00 0.26 H new ATOM 894 N SER A 56 -12.416 -17.515 -1.745 1.00 0.12 N ATOM 895 CA SER A 56 -13.206 -16.279 -1.863 1.00 0.04 C ATOM 896 C SER A 56 -13.684 -16.024 -0.453 1.00 0.14 C ATOM 897 O SER A 56 -14.495 -15.163 -0.174 1.00 0.23 O ATOM 898 CB SER A 56 -14.411 -16.524 -2.783 1.00 0.15 C ATOM 899 OG SER A 56 -15.288 -17.318 -1.996 1.00 0.16 O ATOM 0 H SER A 56 -12.963 -18.376 -1.758 1.00 0.12 H new ATOM 0 HA SER A 56 -12.640 -15.446 -2.279 1.00 0.04 H new ATOM 0 HB2 SER A 56 -14.881 -15.587 -3.083 1.00 0.15 H new ATOM 0 HB3 SER A 56 -14.117 -17.040 -3.697 1.00 0.15 H new ATOM 0 HG SER A 56 -15.136 -18.266 -2.192 1.00 0.16 H new ATOM 905 N ASN A 57 -13.114 -16.833 0.406 1.00 0.19 N ATOM 906 CA ASN A 57 -13.412 -16.785 1.838 1.00 0.31 C ATOM 907 C ASN A 57 -12.208 -16.178 2.521 1.00 0.47 C ATOM 908 O ASN A 57 -12.276 -15.733 3.650 1.00 0.71 O ATOM 909 CB ASN A 57 -13.585 -18.240 2.329 1.00 0.23 C ATOM 910 CG ASN A 57 -15.016 -18.437 2.833 1.00 0.21 C ATOM 911 OD1 ASN A 57 -15.443 -17.814 3.786 1.00 1.91 O ATOM 912 ND2 ASN A 57 -15.789 -19.298 2.228 1.00 1.94 N ATOM 0 H ASN A 57 -12.431 -17.545 0.145 1.00 0.19 H new ATOM 0 HA ASN A 57 -14.311 -16.206 2.049 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -13.374 -18.937 1.518 1.00 0.23 H new ATOM 0 HB3 ASN A 57 -12.874 -18.454 3.127 1.00 0.23 H new ATOM 0 HD21 ASN A 57 -16.744 -19.444 2.555 1.00 1.94 H new ATOM 0 HD22 ASN A 57 -15.438 -19.824 1.428 1.00 1.94 H new ATOM 919 N TYR A 58 -11.118 -16.178 1.788 1.00 0.40 N ATOM 920 CA TYR A 58 -9.865 -15.616 2.332 1.00 0.55 C ATOM 921 C TYR A 58 -9.512 -14.262 1.684 1.00 0.72 C ATOM 922 O TYR A 58 -9.186 -13.312 2.369 1.00 1.62 O ATOM 923 CB TYR A 58 -8.695 -16.569 2.017 1.00 0.53 C ATOM 924 CG TYR A 58 -8.633 -17.769 2.992 1.00 0.28 C ATOM 925 CD1 TYR A 58 -9.708 -18.657 3.164 1.00 0.29 C ATOM 926 CD2 TYR A 58 -7.470 -17.991 3.714 1.00 0.09 C ATOM 927 CE1 TYR A 58 -9.604 -19.708 4.054 1.00 0.18 C ATOM 928 CE2 TYR A 58 -7.383 -19.049 4.599 1.00 0.34 C ATOM 929 CZ TYR A 58 -8.446 -19.913 4.775 1.00 0.37 C ATOM 930 OH TYR A 58 -8.359 -20.964 5.668 1.00 0.64 O ATOM 0 H TYR A 58 -11.054 -16.545 0.839 1.00 0.40 H new ATOM 0 HA TYR A 58 -10.016 -15.486 3.404 1.00 0.55 H new ATOM 0 HB2 TYR A 58 -8.795 -16.938 0.996 1.00 0.53 H new ATOM 0 HB3 TYR A 58 -7.757 -16.016 2.065 1.00 0.53 H new ATOM 0 HD1 TYR A 58 -10.618 -18.517 2.599 1.00 0.29 H new ATOM 0 HD2 TYR A 58 -6.625 -17.331 3.584 1.00 0.09 H new ATOM 0 HE1 TYR A 58 -10.440 -20.378 4.187 1.00 0.18 H new ATOM 0 HE2 TYR A 58 -6.473 -19.202 5.160 1.00 0.34 H new ATOM 0 HH TYR A 58 -7.474 -20.963 6.089 1.00 0.64 H new ATOM 940 N VAL A 59 -9.595 -14.199 0.373 1.00 0.22 N ATOM 941 CA VAL A 59 -9.259 -12.923 -0.334 1.00 0.14 C ATOM 942 C VAL A 59 -10.428 -11.953 -0.480 1.00 0.15 C ATOM 943 O VAL A 59 -11.566 -12.275 -0.209 1.00 0.32 O ATOM 944 CB VAL A 59 -8.768 -13.271 -1.747 1.00 0.23 C ATOM 945 CG1 VAL A 59 -7.706 -14.355 -1.629 1.00 0.28 C ATOM 946 CG2 VAL A 59 -9.938 -13.763 -2.638 1.00 0.29 C ATOM 0 H VAL A 59 -9.879 -14.970 -0.231 1.00 0.22 H new ATOM 0 HA VAL A 59 -8.506 -12.425 0.276 1.00 0.14 H new ATOM 0 HB VAL A 59 -8.350 -12.380 -2.216 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -7.343 -14.618 -2.622 1.00 0.28 H new ATOM 0 HG12 VAL A 59 -6.877 -13.988 -1.025 1.00 0.28 H new ATOM 0 HG13 VAL A 59 -8.137 -15.237 -1.155 1.00 0.28 H new ATOM 0 HG21 VAL A 59 -9.562 -14.002 -3.633 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -10.384 -14.653 -2.194 1.00 0.29 H new ATOM 0 HG23 VAL A 59 -10.692 -12.979 -2.714 1.00 0.29 H new ATOM 956 N GLU A 60 -10.079 -10.773 -0.927 1.00 0.23 N ATOM 957 CA GLU A 60 -11.079 -9.697 -1.139 1.00 0.19 C ATOM 958 C GLU A 60 -10.534 -8.722 -2.191 1.00 0.20 C ATOM 959 O GLU A 60 -9.488 -8.132 -2.008 1.00 0.09 O ATOM 960 CB GLU A 60 -11.290 -8.948 0.184 1.00 0.18 C ATOM 961 CG GLU A 60 -12.586 -9.428 0.847 1.00 0.67 C ATOM 962 CD GLU A 60 -13.788 -9.006 -0.001 1.00 1.90 C ATOM 963 OE1 GLU A 60 -13.808 -7.844 -0.369 1.00 2.73 O ATOM 964 OE2 GLU A 60 -14.620 -9.868 -0.229 1.00 2.81 O ATOM 0 H GLU A 60 -9.121 -10.511 -1.157 1.00 0.23 H new ATOM 0 HA GLU A 60 -12.025 -10.120 -1.478 1.00 0.19 H new ATOM 0 HB2 GLU A 60 -10.444 -9.120 0.850 1.00 0.18 H new ATOM 0 HB3 GLU A 60 -11.339 -7.874 0.002 1.00 0.18 H new ATOM 0 HG2 GLU A 60 -12.569 -10.512 0.957 1.00 0.67 H new ATOM 0 HG3 GLU A 60 -12.670 -9.007 1.849 1.00 0.67 H new ATOM 971 N GLU A 61 -11.255 -8.569 -3.267 1.00 0.48 N ATOM 972 CA GLU A 61 -10.798 -7.644 -4.350 1.00 0.64 C ATOM 973 C GLU A 61 -10.555 -6.210 -3.878 1.00 0.67 C ATOM 974 O GLU A 61 -11.397 -5.350 -4.035 1.00 0.83 O ATOM 975 CB GLU A 61 -11.888 -7.609 -5.419 1.00 0.90 C ATOM 976 CG GLU A 61 -13.237 -7.469 -4.721 1.00 1.59 C ATOM 977 CD GLU A 61 -14.155 -6.587 -5.568 1.00 2.86 C ATOM 978 OE1 GLU A 61 -13.875 -5.401 -5.615 1.00 2.75 O ATOM 979 OE2 GLU A 61 -15.083 -7.151 -6.123 1.00 4.18 O ATOM 0 H GLU A 61 -12.140 -9.043 -3.446 1.00 0.48 H new ATOM 0 HA GLU A 61 -9.845 -8.023 -4.719 1.00 0.64 H new ATOM 0 HB2 GLU A 61 -11.725 -6.775 -6.101 1.00 0.90 H new ATOM 0 HB3 GLU A 61 -11.863 -8.520 -6.018 1.00 0.90 H new ATOM 0 HG2 GLU A 61 -13.688 -8.451 -4.577 1.00 1.59 H new ATOM 0 HG3 GLU A 61 -13.104 -7.031 -3.732 1.00 1.59 H new ATOM 986 N MET A 62 -9.402 -5.992 -3.315 1.00 0.61 N ATOM 987 CA MET A 62 -9.045 -4.632 -2.821 1.00 0.85 C ATOM 988 C MET A 62 -10.218 -3.903 -2.181 1.00 0.82 C ATOM 989 O MET A 62 -11.058 -3.343 -2.859 1.00 0.95 O ATOM 990 CB MET A 62 -8.584 -3.793 -4.026 1.00 1.18 C ATOM 991 CG MET A 62 -7.085 -3.998 -4.288 1.00 1.54 C ATOM 992 SD MET A 62 -5.973 -2.650 -3.814 1.00 0.75 S ATOM 993 CE MET A 62 -4.711 -3.665 -3.011 1.00 0.96 C ATOM 0 H MET A 62 -8.684 -6.703 -3.174 1.00 0.61 H new ATOM 0 HA MET A 62 -8.270 -4.754 -2.064 1.00 0.85 H new ATOM 0 HB2 MET A 62 -9.155 -4.074 -4.911 1.00 1.18 H new ATOM 0 HB3 MET A 62 -8.785 -2.738 -3.839 1.00 1.18 H new ATOM 0 HG2 MET A 62 -6.769 -4.898 -3.761 1.00 1.54 H new ATOM 0 HG3 MET A 62 -6.951 -4.189 -5.353 1.00 1.54 H new ATOM 0 HE1 MET A 62 -3.879 -3.033 -2.700 1.00 0.96 H new ATOM 0 HE2 MET A 62 -5.140 -4.156 -2.138 1.00 0.96 H new ATOM 0 HE3 MET A 62 -4.351 -4.419 -3.711 1.00 0.96 H new ATOM 1003 N VAL A 63 -10.246 -3.916 -0.882 1.00 0.74 N ATOM 1004 CA VAL A 63 -11.352 -3.225 -0.171 1.00 0.69 C ATOM 1005 C VAL A 63 -10.964 -1.778 0.055 1.00 0.63 C ATOM 1006 O VAL A 63 -11.467 -1.095 0.922 1.00 0.65 O ATOM 1007 CB VAL A 63 -11.557 -3.903 1.175 1.00 0.74 C ATOM 1008 CG1 VAL A 63 -12.878 -3.436 1.790 1.00 0.65 C ATOM 1009 CG2 VAL A 63 -11.599 -5.418 0.972 1.00 0.89 C ATOM 0 H VAL A 63 -9.556 -4.372 -0.284 1.00 0.74 H new ATOM 0 HA VAL A 63 -12.269 -3.272 -0.759 1.00 0.69 H new ATOM 0 HB VAL A 63 -10.736 -3.643 1.843 1.00 0.74 H new ATOM 0 HG11 VAL A 63 -13.023 -3.923 2.754 1.00 0.65 H new ATOM 0 HG12 VAL A 63 -12.852 -2.355 1.930 1.00 0.65 H new ATOM 0 HG13 VAL A 63 -13.701 -3.696 1.125 1.00 0.65 H new ATOM 0 HG21 VAL A 63 -11.746 -5.910 1.934 1.00 0.89 H new ATOM 0 HG22 VAL A 63 -12.422 -5.673 0.305 1.00 0.89 H new ATOM 0 HG23 VAL A 63 -10.659 -5.752 0.533 1.00 0.89 H new ATOM 1019 N ASN A 64 -10.060 -1.374 -0.763 1.00 0.57 N ATOM 1020 CA ASN A 64 -9.534 0.018 -0.717 1.00 0.53 C ATOM 1021 C ASN A 64 -9.420 0.591 -2.145 1.00 0.51 C ATOM 1022 O ASN A 64 -8.428 0.367 -2.811 1.00 0.62 O ATOM 1023 CB ASN A 64 -8.122 -0.039 -0.119 1.00 0.63 C ATOM 1024 CG ASN A 64 -8.212 -0.433 1.358 1.00 0.59 C ATOM 1025 OD1 ASN A 64 -8.454 -1.576 1.694 1.00 0.53 O ATOM 1026 ND2 ASN A 64 -8.022 0.481 2.271 1.00 0.63 N ATOM 0 H ASN A 64 -9.644 -1.959 -1.488 1.00 0.57 H new ATOM 0 HA ASN A 64 -10.202 0.644 -0.126 1.00 0.53 H new ATOM 0 HB2 ASN A 64 -7.513 -0.761 -0.663 1.00 0.63 H new ATOM 0 HB3 ASN A 64 -7.633 0.930 -0.219 1.00 0.63 H new ATOM 0 HD21 ASN A 64 -8.077 0.234 3.259 1.00 0.63 H new ATOM 0 HD22 ASN A 64 -7.819 1.442 1.996 1.00 0.63 H new ATOM 1033 N PRO A 65 -10.430 1.315 -2.601 1.00 0.41 N ATOM 1034 CA PRO A 65 -10.412 1.903 -3.950 1.00 0.42 C ATOM 1035 C PRO A 65 -9.200 2.800 -4.171 1.00 0.46 C ATOM 1036 O PRO A 65 -8.103 2.510 -3.740 1.00 0.69 O ATOM 1037 CB PRO A 65 -11.737 2.709 -4.028 1.00 0.41 C ATOM 1038 CG PRO A 65 -12.602 2.269 -2.835 1.00 0.38 C ATOM 1039 CD PRO A 65 -11.651 1.628 -1.829 1.00 0.33 C ATOM 0 HA PRO A 65 -10.336 1.141 -4.726 1.00 0.42 H new ATOM 0 HB2 PRO A 65 -11.540 3.780 -3.987 1.00 0.41 H new ATOM 0 HB3 PRO A 65 -12.251 2.515 -4.969 1.00 0.41 H new ATOM 0 HG2 PRO A 65 -13.118 3.122 -2.393 1.00 0.38 H new ATOM 0 HG3 PRO A 65 -13.369 1.561 -3.151 1.00 0.38 H new ATOM 0 HD2 PRO A 65 -11.433 2.307 -1.004 1.00 0.33 H new ATOM 0 HD3 PRO A 65 -12.085 0.727 -1.395 1.00 0.33 H new ATOM 1047 N GLU A 66 -9.443 3.868 -4.847 1.00 0.35 N ATOM 1048 CA GLU A 66 -8.366 4.850 -5.153 1.00 0.41 C ATOM 1049 C GLU A 66 -7.191 4.183 -5.868 1.00 0.59 C ATOM 1050 O GLU A 66 -7.097 2.972 -5.916 1.00 1.11 O ATOM 1051 CB GLU A 66 -7.867 5.462 -3.840 1.00 0.54 C ATOM 1052 CG GLU A 66 -8.710 6.693 -3.510 1.00 0.31 C ATOM 1053 CD GLU A 66 -8.484 7.083 -2.049 1.00 0.62 C ATOM 1054 OE1 GLU A 66 -8.942 6.325 -1.210 1.00 0.76 O ATOM 1055 OE2 GLU A 66 -7.866 8.117 -1.853 1.00 0.74 O ATOM 0 H GLU A 66 -10.362 4.117 -5.214 1.00 0.35 H new ATOM 0 HA GLU A 66 -8.775 5.618 -5.809 1.00 0.41 H new ATOM 0 HB2 GLU A 66 -7.937 4.731 -3.034 1.00 0.54 H new ATOM 0 HB3 GLU A 66 -6.816 5.739 -3.929 1.00 0.54 H new ATOM 0 HG2 GLU A 66 -8.438 7.520 -4.165 1.00 0.31 H new ATOM 0 HG3 GLU A 66 -9.765 6.482 -3.683 1.00 0.31 H new ATOM 1062 N GLY A 67 -6.317 4.989 -6.415 1.00 0.33 N ATOM 1063 CA GLY A 67 -5.141 4.419 -7.133 1.00 0.45 C ATOM 1064 C GLY A 67 -4.402 5.514 -7.910 1.00 0.36 C ATOM 1065 O GLY A 67 -5.018 6.356 -8.532 1.00 0.42 O ATOM 0 H GLY A 67 -6.367 6.008 -6.395 1.00 0.33 H new ATOM 0 HA2 GLY A 67 -4.463 3.952 -6.419 1.00 0.45 H new ATOM 0 HA3 GLY A 67 -5.470 3.638 -7.818 1.00 0.45 H new ATOM 1069 N ILE A 68 -3.094 5.477 -7.849 1.00 0.49 N ATOM 1070 CA ILE A 68 -2.283 6.500 -8.574 1.00 0.42 C ATOM 1071 C ILE A 68 -1.535 5.864 -9.745 1.00 0.45 C ATOM 1072 O ILE A 68 -1.341 4.664 -9.775 1.00 0.50 O ATOM 1073 CB ILE A 68 -1.246 7.076 -7.605 1.00 0.39 C ATOM 1074 CG1 ILE A 68 -1.937 7.693 -6.386 1.00 0.45 C ATOM 1075 CG2 ILE A 68 -0.462 8.178 -8.333 1.00 0.27 C ATOM 1076 CD1 ILE A 68 -1.025 7.548 -5.163 1.00 0.54 C ATOM 0 H ILE A 68 -2.555 4.784 -7.330 1.00 0.49 H new ATOM 0 HA ILE A 68 -2.950 7.276 -8.950 1.00 0.42 H new ATOM 0 HB ILE A 68 -0.583 6.277 -7.272 1.00 0.39 H new ATOM 0 HG12 ILE A 68 -2.154 8.745 -6.570 1.00 0.45 H new ATOM 0 HG13 ILE A 68 -2.891 7.198 -6.204 1.00 0.45 H new ATOM 0 HG21 ILE A 68 0.282 8.601 -7.658 1.00 0.27 H new ATOM 0 HG22 ILE A 68 0.037 7.754 -9.204 1.00 0.27 H new ATOM 0 HG23 ILE A 68 -1.148 8.962 -8.653 1.00 0.27 H new ATOM 0 HD11 ILE A 68 -1.512 7.986 -4.292 1.00 0.54 H new ATOM 0 HD12 ILE A 68 -0.831 6.492 -4.977 1.00 0.54 H new ATOM 0 HD13 ILE A 68 -0.083 8.063 -5.349 1.00 0.54 H new ATOM 1088 N HIS A 69 -1.127 6.682 -10.683 1.00 0.44 N ATOM 1089 CA HIS A 69 -0.391 6.146 -11.863 1.00 0.48 C ATOM 1090 C HIS A 69 1.102 6.476 -11.781 1.00 0.48 C ATOM 1091 O HIS A 69 1.481 7.587 -11.465 1.00 0.62 O ATOM 1092 CB HIS A 69 -0.972 6.790 -13.130 1.00 0.47 C ATOM 1093 CG HIS A 69 -2.006 7.853 -12.743 1.00 0.43 C ATOM 1094 ND1 HIS A 69 -3.226 7.621 -12.487 1.00 0.43 N ATOM 1095 CD2 HIS A 69 -1.870 9.225 -12.621 1.00 0.42 C ATOM 1096 CE1 HIS A 69 -3.846 8.710 -12.227 1.00 0.42 C ATOM 1097 NE2 HIS A 69 -3.054 9.766 -12.292 1.00 0.41 N ATOM 0 H HIS A 69 -1.272 7.692 -10.681 1.00 0.44 H new ATOM 0 HA HIS A 69 -0.503 5.062 -11.885 1.00 0.48 H new ATOM 0 HB2 HIS A 69 -0.174 7.243 -13.718 1.00 0.47 H new ATOM 0 HB3 HIS A 69 -1.436 6.028 -13.756 1.00 0.47 H new ATOM 0 HD2 HIS A 69 -0.953 9.776 -12.768 1.00 0.42 H new ATOM 0 HE1 HIS A 69 -4.897 8.760 -11.982 1.00 0.42 H new ATOM 0 HE2 HIS A 69 -3.285 10.747 -12.132 1.00 0.41 H new ATOM 1105 N ARG A 70 1.922 5.501 -12.072 1.00 0.40 N ATOM 1106 CA ARG A 70 3.392 5.734 -12.018 1.00 0.40 C ATOM 1107 C ARG A 70 3.814 6.693 -13.127 1.00 0.42 C ATOM 1108 O ARG A 70 3.204 7.725 -13.318 1.00 0.46 O ATOM 1109 CB ARG A 70 4.099 4.388 -12.236 1.00 0.45 C ATOM 1110 CG ARG A 70 5.577 4.505 -11.798 1.00 0.47 C ATOM 1111 CD ARG A 70 5.814 3.884 -10.405 1.00 0.60 C ATOM 1112 NE ARG A 70 7.143 3.213 -10.401 1.00 0.87 N ATOM 1113 CZ ARG A 70 7.665 2.845 -9.264 1.00 0.77 C ATOM 1114 NH1 ARG A 70 7.908 3.756 -8.361 1.00 0.71 N ATOM 1115 NH2 ARG A 70 7.918 1.581 -9.065 1.00 0.81 N ATOM 0 H ARG A 70 1.638 4.559 -12.343 1.00 0.40 H new ATOM 0 HA ARG A 70 3.659 6.165 -11.053 1.00 0.40 H new ATOM 0 HB2 ARG A 70 3.600 3.606 -11.664 1.00 0.45 H new ATOM 0 HB3 ARG A 70 4.041 4.101 -13.286 1.00 0.45 H new ATOM 0 HG2 ARG A 70 6.213 4.008 -12.530 1.00 0.47 H new ATOM 0 HG3 ARG A 70 5.869 5.555 -11.782 1.00 0.47 H new ATOM 0 HD2 ARG A 70 5.778 4.656 -9.636 1.00 0.60 H new ATOM 0 HD3 ARG A 70 5.028 3.166 -10.173 1.00 0.60 H new ATOM 0 HE ARG A 70 7.639 3.043 -11.276 1.00 0.87 H new ATOM 0 HH11 ARG A 70 7.690 4.734 -8.552 1.00 0.71 H new ATOM 0 HH12 ARG A 70 8.316 3.490 -7.465 1.00 0.71 H new ATOM 0 HH21 ARG A 70 7.708 0.898 -9.793 1.00 0.81 H new ATOM 0 HH22 ARG A 70 8.326 1.276 -8.182 1.00 0.81 H new ATOM 1129 N ASP A 71 4.854 6.329 -13.832 1.00 0.45 N ATOM 1130 CA ASP A 71 5.340 7.194 -14.933 1.00 0.52 C ATOM 1131 C ASP A 71 4.916 6.623 -16.284 1.00 0.80 C ATOM 1132 O ASP A 71 4.353 7.392 -17.045 1.00 0.94 O ATOM 1133 CB ASP A 71 6.875 7.244 -14.879 1.00 0.48 C ATOM 1134 CG ASP A 71 7.317 8.152 -13.728 1.00 0.29 C ATOM 1135 OD1 ASP A 71 6.614 9.122 -13.506 1.00 0.15 O ATOM 1136 OD2 ASP A 71 8.335 7.824 -13.138 1.00 0.49 O ATOM 1137 OXT ASP A 71 5.176 5.446 -16.478 1.00 0.92 O ATOM 0 H ASP A 71 5.384 5.469 -13.688 1.00 0.45 H new ATOM 0 HA ASP A 71 4.916 8.192 -14.818 1.00 0.52 H new ATOM 0 HB2 ASP A 71 7.277 6.241 -14.740 1.00 0.48 H new ATOM 0 HB3 ASP A 71 7.271 7.618 -15.823 1.00 0.48 H new TER 1142 ASP A 71