USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 356 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 ARG N :NH3+ -166:sc=-0.00107 (180deg=-0.275) USER MOD Single : A 2 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.11) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 137:sc= -0.58 (180deg=-2.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1.4!) USER MOD Single : A 27 GLN : amide:sc= -0.72 K(o=-0.72,f=-4.2!) USER MOD Single : A 29 MET CE :methyl -112:sc= -0.518 (180deg=-5.13!) USER MOD Single : A 30 HIS : no HD1:sc= -0.0786 X(o=-0.079,f=-0.33) USER MOD Single : A 33 GLN : amide:sc= -6.74! C(o=-6.7!,f=-6.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 18.103 -22.446 -12.814 1.00 0.00 N ATOM 2 CA ARG A 1 18.417 -21.079 -12.438 1.00 0.00 C ATOM 3 C ARG A 1 17.550 -20.641 -11.255 1.00 0.00 C ATOM 4 O ARG A 1 16.489 -20.048 -11.444 1.00 0.00 O ATOM 5 CB ARG A 1 18.191 -20.119 -13.609 1.00 0.00 C ATOM 6 CG ARG A 1 19.445 -20.011 -14.478 1.00 0.00 C ATOM 7 CD ARG A 1 19.407 -21.024 -15.624 1.00 0.00 C ATOM 8 NE ARG A 1 18.981 -20.358 -16.875 1.00 0.00 N ATOM 9 CZ ARG A 1 18.670 -21.013 -18.013 1.00 0.00 C ATOM 10 NH1 ARG A 1 18.735 -22.361 -18.068 1.00 0.00 N ATOM 11 NH2 ARG A 1 18.302 -20.316 -19.073 1.00 0.00 N ATOM 0 H1 ARG A 1 18.844 -22.811 -13.446 1.00 0.00 H new ATOM 0 H2 ARG A 1 18.053 -23.038 -11.960 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.187 -22.469 -13.305 1.00 0.00 H new ATOM 0 HA ARG A 1 19.469 -21.047 -12.154 1.00 0.00 H new ATOM 0 HB2 ARG A 1 17.354 -20.468 -14.214 1.00 0.00 H new ATOM 0 HB3 ARG A 1 17.921 -19.134 -13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 1 19.526 -19.002 -14.882 1.00 0.00 H new ATOM 0 HG3 ARG A 1 20.331 -20.181 -13.867 1.00 0.00 H new ATOM 0 HD2 ARG A 1 20.392 -21.471 -15.758 1.00 0.00 H new ATOM 0 HD3 ARG A 1 18.719 -21.834 -15.381 1.00 0.00 H new ATOM 0 HE ARG A 1 18.919 -19.340 -16.877 1.00 0.00 H new ATOM 0 HH11 ARG A 1 19.021 -22.892 -17.245 1.00 0.00 H new ATOM 0 HH12 ARG A 1 18.498 -22.848 -18.932 1.00 0.00 H new ATOM 0 HH21 ARG A 1 18.256 -19.298 -19.023 1.00 0.00 H new ATOM 0 HH22 ARG A 1 18.064 -20.796 -19.941 1.00 0.00 H new ATOM 24 N GLN A 2 18.036 -20.950 -10.061 1.00 0.00 N ATOM 25 CA GLN A 2 17.319 -20.597 -8.848 1.00 0.00 C ATOM 26 C GLN A 2 18.272 -19.966 -7.832 1.00 0.00 C ATOM 27 O GLN A 2 18.475 -20.508 -6.745 1.00 0.00 O ATOM 28 CB GLN A 2 16.613 -21.817 -8.253 1.00 0.00 C ATOM 29 CG GLN A 2 15.750 -22.519 -9.305 1.00 0.00 C ATOM 30 CD GLN A 2 14.360 -22.837 -8.750 1.00 0.00 C ATOM 31 OE1 GLN A 2 13.920 -22.288 -7.753 1.00 0.00 O ATOM 32 NE2 GLN A 2 13.695 -23.752 -9.450 1.00 0.00 N ATOM 0 H GLN A 2 18.917 -21.441 -9.908 1.00 0.00 H new ATOM 0 HA GLN A 2 16.554 -19.864 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 2 17.353 -22.514 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.990 -21.508 -7.414 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.657 -21.885 -10.187 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.237 -23.440 -9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.122 -24.172 -10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.758 -24.033 -9.161 1.00 0.00 H new ATOM 41 N ILE A 3 18.834 -18.831 -8.221 1.00 0.00 N ATOM 42 CA ILE A 3 19.763 -18.121 -7.358 1.00 0.00 C ATOM 43 C ILE A 3 18.985 -17.145 -6.472 1.00 0.00 C ATOM 44 O ILE A 3 19.565 -16.481 -5.615 1.00 0.00 O ATOM 45 CB ILE A 3 20.863 -17.455 -8.187 1.00 0.00 C ATOM 46 CG1 ILE A 3 20.960 -18.087 -9.577 1.00 0.00 C ATOM 47 CG2 ILE A 3 22.202 -17.487 -7.447 1.00 0.00 C ATOM 48 CD1 ILE A 3 20.082 -17.340 -10.582 1.00 0.00 C ATOM 0 H ILE A 3 18.664 -18.385 -9.123 1.00 0.00 H new ATOM 0 HA ILE A 3 20.274 -18.818 -6.694 1.00 0.00 H new ATOM 0 HB ILE A 3 20.598 -16.407 -8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 3 21.996 -18.074 -9.914 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.654 -19.132 -9.527 1.00 0.00 H new ATOM 0 HG21 ILE A 3 22.967 -17.007 -8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 3 22.107 -16.955 -6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 3 22.487 -18.521 -7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.170 -17.810 -11.562 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.043 -17.375 -10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.407 -16.302 -10.647 1.00 0.00 H new ATOM 60 N LYS A 4 17.682 -17.090 -6.710 1.00 0.00 N ATOM 61 CA LYS A 4 16.819 -16.208 -5.944 1.00 0.00 C ATOM 62 C LYS A 4 17.303 -14.765 -6.103 1.00 0.00 C ATOM 63 O LYS A 4 16.992 -13.908 -5.277 1.00 0.00 O ATOM 64 CB LYS A 4 16.734 -16.671 -4.489 1.00 0.00 C ATOM 65 CG LYS A 4 15.498 -17.545 -4.262 1.00 0.00 C ATOM 66 CD LYS A 4 14.566 -16.918 -3.223 1.00 0.00 C ATOM 67 CE LYS A 4 13.373 -16.236 -3.896 1.00 0.00 C ATOM 68 NZ LYS A 4 12.215 -17.156 -3.952 1.00 0.00 N ATOM 0 H LYS A 4 17.204 -17.642 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 4 15.799 -16.247 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 4 17.632 -17.231 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 4 16.697 -15.804 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.963 -17.676 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.805 -18.536 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.210 -17.687 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.117 -16.190 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.103 -15.335 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.646 -15.924 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.414 -16.678 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.471 -18.004 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.945 -17.434 -2.987 1.00 0.00 H new ATOM 81 N ILE A 5 18.053 -14.541 -7.171 1.00 0.00 N ATOM 82 CA ILE A 5 18.584 -13.217 -7.449 1.00 0.00 C ATOM 83 C ILE A 5 18.418 -12.335 -6.209 1.00 0.00 C ATOM 84 O ILE A 5 17.658 -11.369 -6.226 1.00 0.00 O ATOM 85 CB ILE A 5 17.937 -12.634 -8.707 1.00 0.00 C ATOM 86 CG1 ILE A 5 18.514 -13.280 -9.969 1.00 0.00 C ATOM 87 CG2 ILE A 5 18.065 -11.110 -8.734 1.00 0.00 C ATOM 88 CD1 ILE A 5 17.735 -12.845 -11.212 1.00 0.00 C ATOM 0 H ILE A 5 18.306 -15.254 -7.855 1.00 0.00 H new ATOM 0 HA ILE A 5 19.652 -13.272 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 5 16.872 -12.867 -8.683 1.00 0.00 H new ATOM 0 HG12 ILE A 5 19.563 -13.003 -10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 5 18.479 -14.365 -9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 5 17.597 -10.722 -9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 5 17.570 -10.688 -7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.119 -10.833 -8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.165 -13.318 -12.095 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.692 -13.145 -11.111 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.792 -11.762 -11.317 1.00 0.00 H new ATOM 100 N TRP A 6 19.143 -12.701 -5.161 1.00 0.00 N ATOM 101 CA TRP A 6 19.086 -11.956 -3.916 1.00 0.00 C ATOM 102 C TRP A 6 19.688 -10.572 -4.164 1.00 0.00 C ATOM 103 O TRP A 6 19.197 -9.573 -3.642 1.00 0.00 O ATOM 104 CB TRP A 6 19.785 -12.719 -2.788 1.00 0.00 C ATOM 105 CG TRP A 6 19.447 -14.210 -2.742 1.00 0.00 C ATOM 106 CD1 TRP A 6 18.377 -14.795 -2.187 1.00 0.00 C ATOM 107 CD2 TRP A 6 20.230 -15.287 -3.298 1.00 0.00 C ATOM 108 NE1 TRP A 6 18.413 -16.166 -2.344 1.00 0.00 N ATOM 109 CE2 TRP A 6 19.575 -16.475 -3.041 1.00 0.00 C ATOM 110 CE3 TRP A 6 21.450 -15.258 -3.995 1.00 0.00 C ATOM 111 CZ2 TRP A 6 20.065 -17.722 -3.446 1.00 0.00 C ATOM 112 CZ3 TRP A 6 21.926 -16.514 -4.394 1.00 0.00 C ATOM 113 CH2 TRP A 6 21.279 -17.719 -4.143 1.00 0.00 C ATOM 0 H TRP A 6 19.772 -13.504 -5.150 1.00 0.00 H new ATOM 0 HA TRP A 6 18.054 -11.832 -3.588 1.00 0.00 H new ATOM 0 HB2 TRP A 6 20.863 -12.605 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 6 19.514 -12.266 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 6 17.586 -14.261 -1.681 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.715 -16.830 -2.010 1.00 0.00 H new ATOM 0 HE3 TRP A 6 21.979 -14.340 -4.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.535 -18.638 -3.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 22.861 -16.549 -4.934 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.711 -18.648 -4.484 1.00 0.00 H new ATOM 124 N PHE A 7 20.745 -10.556 -4.963 1.00 0.00 N ATOM 125 CA PHE A 7 21.420 -9.311 -5.288 1.00 0.00 C ATOM 126 C PHE A 7 20.742 -8.611 -6.468 1.00 0.00 C ATOM 127 O PHE A 7 21.415 -8.095 -7.358 1.00 0.00 O ATOM 128 CB PHE A 7 22.855 -9.669 -5.680 1.00 0.00 C ATOM 129 CG PHE A 7 23.915 -8.752 -5.065 1.00 0.00 C ATOM 130 CD1 PHE A 7 24.382 -8.998 -3.811 1.00 0.00 C ATOM 131 CD2 PHE A 7 24.389 -7.692 -5.771 1.00 0.00 C ATOM 132 CE1 PHE A 7 25.366 -8.148 -3.241 1.00 0.00 C ATOM 133 CE2 PHE A 7 25.373 -6.841 -5.201 1.00 0.00 C ATOM 134 CZ PHE A 7 25.841 -7.087 -3.948 1.00 0.00 C ATOM 0 H PHE A 7 21.151 -11.386 -5.395 1.00 0.00 H new ATOM 0 HA PHE A 7 21.388 -8.637 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.058 -10.696 -5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 7 22.944 -9.633 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 7 24.004 -9.840 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 7 24.017 -7.497 -6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 7 25.738 -8.344 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 7 25.749 -5.999 -5.762 1.00 0.00 H new ATOM 0 HZ PHE A 7 26.589 -6.440 -3.514 1.00 0.00 H new ATOM 144 N GLN A 8 19.418 -8.617 -6.436 1.00 0.00 N ATOM 145 CA GLN A 8 18.641 -7.989 -7.491 1.00 0.00 C ATOM 146 C GLN A 8 17.152 -8.288 -7.303 1.00 0.00 C ATOM 147 O GLN A 8 16.436 -8.524 -8.275 1.00 0.00 O ATOM 148 CB GLN A 8 19.122 -8.445 -8.870 1.00 0.00 C ATOM 149 CG GLN A 8 19.779 -7.290 -9.630 1.00 0.00 C ATOM 150 CD GLN A 8 20.426 -7.784 -10.925 1.00 0.00 C ATOM 151 OE1 GLN A 8 21.472 -8.412 -10.927 1.00 0.00 O ATOM 152 NE2 GLN A 8 19.747 -7.465 -12.024 1.00 0.00 N ATOM 0 H GLN A 8 18.863 -9.047 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 8 18.785 -6.910 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.833 -9.263 -8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.279 -8.831 -9.444 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.033 -6.530 -9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.533 -6.817 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.877 -6.937 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 8 20.096 -7.748 -12.939 1.00 0.00 H new ATOM 161 N ASN A 9 16.731 -8.268 -6.048 1.00 0.00 N ATOM 162 CA ASN A 9 15.340 -8.533 -5.720 1.00 0.00 C ATOM 163 C ASN A 9 14.864 -7.520 -4.677 1.00 0.00 C ATOM 164 O ASN A 9 15.096 -7.698 -3.483 1.00 0.00 O ATOM 165 CB ASN A 9 15.171 -9.935 -5.130 1.00 0.00 C ATOM 166 CG ASN A 9 14.456 -10.862 -6.114 1.00 0.00 C ATOM 167 OD1 ASN A 9 13.633 -11.684 -5.746 1.00 0.00 O ATOM 168 ND2 ASN A 9 14.815 -10.685 -7.382 1.00 0.00 N ATOM 0 H ASN A 9 17.329 -8.072 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 9 14.756 -8.455 -6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.148 -10.348 -4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.603 -9.877 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.395 -11.256 -8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.511 -9.978 -7.621 1.00 0.00 H new ATOM 175 N ARG A 10 14.205 -6.480 -5.168 1.00 0.00 N ATOM 176 CA ARG A 10 13.693 -5.438 -4.293 1.00 0.00 C ATOM 177 C ARG A 10 13.065 -4.314 -5.118 1.00 0.00 C ATOM 178 O ARG A 10 12.081 -3.707 -4.699 1.00 0.00 O ATOM 179 CB ARG A 10 14.807 -4.858 -3.419 1.00 0.00 C ATOM 180 CG ARG A 10 16.075 -4.611 -4.238 1.00 0.00 C ATOM 181 CD ARG A 10 16.021 -3.250 -4.937 1.00 0.00 C ATOM 182 NE ARG A 10 16.434 -3.391 -6.350 1.00 0.00 N ATOM 183 CZ ARG A 10 16.943 -2.386 -7.094 1.00 0.00 C ATOM 184 NH1 ARG A 10 17.106 -1.157 -6.563 1.00 0.00 N ATOM 185 NH2 ARG A 10 17.277 -2.624 -8.348 1.00 0.00 N ATOM 0 H ARG A 10 14.014 -6.337 -6.160 1.00 0.00 H new ATOM 0 HA ARG A 10 12.937 -5.887 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.472 -3.923 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.026 -5.544 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.947 -4.654 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.192 -5.401 -4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.011 -2.844 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.676 -2.544 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 10 16.328 -4.305 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.844 -0.982 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.491 -0.403 -7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.149 -3.556 -8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.663 -1.876 -8.924 1.00 0.00 H new ATOM 198 N ARG A 11 13.659 -4.069 -6.277 1.00 0.00 N ATOM 199 CA ARG A 11 13.169 -3.028 -7.165 1.00 0.00 C ATOM 200 C ARG A 11 11.675 -3.221 -7.434 1.00 0.00 C ATOM 201 O ARG A 11 10.988 -2.283 -7.837 1.00 0.00 O ATOM 202 CB ARG A 11 13.925 -3.039 -8.495 1.00 0.00 C ATOM 203 CG ARG A 11 13.608 -1.787 -9.316 1.00 0.00 C ATOM 204 CD ARG A 11 13.334 -2.145 -10.777 1.00 0.00 C ATOM 205 NE ARG A 11 14.289 -1.438 -11.659 1.00 0.00 N ATOM 206 CZ ARG A 11 14.633 -1.859 -12.895 1.00 0.00 C ATOM 207 NH1 ARG A 11 14.101 -2.990 -13.406 1.00 0.00 N ATOM 208 NH2 ARG A 11 15.497 -1.149 -13.597 1.00 0.00 N ATOM 0 H ARG A 11 14.476 -4.574 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 11 13.333 -2.068 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.997 -3.093 -8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.655 -3.929 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.740 -1.280 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.444 -1.089 -9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.424 -3.222 -10.919 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.312 -1.873 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 11 14.714 -0.578 -11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.434 -3.533 -12.858 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.366 -3.301 -14.340 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.894 -0.296 -13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.767 -1.454 -14.532 1.00 0.00 H new ATOM 221 N MET A 12 11.217 -4.441 -7.201 1.00 0.00 N ATOM 222 CA MET A 12 9.817 -4.768 -7.413 1.00 0.00 C ATOM 223 C MET A 12 8.966 -4.340 -6.216 1.00 0.00 C ATOM 224 O MET A 12 7.783 -4.666 -6.141 1.00 0.00 O ATOM 225 CB MET A 12 9.671 -6.276 -7.629 1.00 0.00 C ATOM 226 CG MET A 12 8.708 -6.574 -8.780 1.00 0.00 C ATOM 227 SD MET A 12 7.546 -7.838 -8.292 1.00 0.00 S ATOM 228 CE MET A 12 6.101 -7.295 -9.188 1.00 0.00 C ATOM 0 H MET A 12 11.790 -5.216 -6.867 1.00 0.00 H new ATOM 0 HA MET A 12 9.468 -4.230 -8.294 1.00 0.00 H new ATOM 0 HB2 MET A 12 10.646 -6.712 -7.844 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.307 -6.744 -6.715 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.174 -5.667 -9.062 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.267 -6.901 -9.657 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.274 -7.979 -8.994 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.826 -6.292 -8.862 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.319 -7.283 -10.256 1.00 0.00 H new ATOM 238 N LYS A 13 9.602 -3.613 -5.309 1.00 0.00 N ATOM 239 CA LYS A 13 8.918 -3.136 -4.118 1.00 0.00 C ATOM 240 C LYS A 13 9.160 -1.634 -3.964 1.00 0.00 C ATOM 241 O LYS A 13 8.847 -1.054 -2.925 1.00 0.00 O ATOM 242 CB LYS A 13 9.337 -3.956 -2.896 1.00 0.00 C ATOM 243 CG LYS A 13 8.278 -3.877 -1.794 1.00 0.00 C ATOM 244 CD LYS A 13 8.853 -4.324 -0.448 1.00 0.00 C ATOM 245 CE LYS A 13 8.918 -5.850 -0.360 1.00 0.00 C ATOM 246 NZ LYS A 13 10.069 -6.364 -1.134 1.00 0.00 N ATOM 0 H LYS A 13 10.583 -3.343 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 13 7.841 -3.277 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.489 -4.996 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.290 -3.589 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.907 -2.855 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.427 -4.505 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.851 -3.906 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.236 -3.935 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.007 -6.157 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.993 -6.282 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.550 -7.107 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.733 -6.759 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.735 -5.588 -1.323 1.00 0.00 H new ATOM 259 N TRP A 14 9.715 -1.045 -5.013 1.00 0.00 N ATOM 260 CA TRP A 14 10.004 0.379 -5.007 1.00 0.00 C ATOM 261 C TRP A 14 8.747 1.117 -5.476 1.00 0.00 C ATOM 262 O TRP A 14 8.815 1.956 -6.373 1.00 0.00 O ATOM 263 CB TRP A 14 11.234 0.693 -5.859 1.00 0.00 C ATOM 264 CG TRP A 14 10.939 0.829 -7.354 1.00 0.00 C ATOM 265 CD1 TRP A 14 11.650 1.488 -8.280 1.00 0.00 C ATOM 266 CD2 TRP A 14 9.817 0.262 -8.064 1.00 0.00 C ATOM 267 NE1 TRP A 14 11.071 1.389 -9.528 1.00 0.00 N ATOM 268 CE2 TRP A 14 9.921 0.619 -9.393 1.00 0.00 C ATOM 269 CE3 TRP A 14 8.751 -0.526 -7.598 1.00 0.00 C ATOM 270 CZ2 TRP A 14 8.991 0.233 -10.366 1.00 0.00 C ATOM 271 CZ3 TRP A 14 7.829 -0.904 -8.582 1.00 0.00 C ATOM 272 CH2 TRP A 14 7.919 -0.553 -9.923 1.00 0.00 C ATOM 0 H TRP A 14 9.972 -1.528 -5.873 1.00 0.00 H new ATOM 0 HA TRP A 14 10.253 0.718 -4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.683 1.620 -5.502 1.00 0.00 H new ATOM 0 HB3 TRP A 14 11.973 -0.095 -5.715 1.00 0.00 H new ATOM 0 HD1 TRP A 14 12.562 2.029 -8.075 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.422 1.804 -10.391 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.651 -0.817 -6.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.094 0.525 -11.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.989 -1.511 -8.277 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.165 -0.885 -10.622 1.00 0.00 H new ATOM 283 N LYS A 15 7.631 0.777 -4.849 1.00 0.00 N ATOM 284 CA LYS A 15 6.362 1.396 -5.190 1.00 0.00 C ATOM 285 C LYS A 15 5.460 1.417 -3.954 1.00 0.00 C ATOM 286 O LYS A 15 5.460 0.474 -3.166 1.00 0.00 O ATOM 287 CB LYS A 15 5.734 0.699 -6.398 1.00 0.00 C ATOM 288 CG LYS A 15 4.956 1.694 -7.263 1.00 0.00 C ATOM 289 CD LYS A 15 5.654 1.915 -8.606 1.00 0.00 C ATOM 290 CE LYS A 15 4.843 1.308 -9.752 1.00 0.00 C ATOM 291 NZ LYS A 15 3.749 2.220 -10.155 1.00 0.00 N ATOM 0 H LYS A 15 7.579 0.080 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 15 6.513 2.432 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.513 0.225 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.066 -0.093 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.945 1.322 -7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.863 2.644 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.790 2.983 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.647 1.467 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.495 1.115 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.429 0.348 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.209 1.792 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.117 2.384 -9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.151 3.126 -10.470 1.00 0.00 H new ATOM 304 N LYS A 16 4.715 2.504 -3.824 1.00 0.00 N ATOM 305 CA LYS A 16 3.810 2.661 -2.698 1.00 0.00 C ATOM 306 C LYS A 16 2.455 2.042 -3.048 1.00 0.00 C ATOM 307 O LYS A 16 1.502 2.152 -2.278 1.00 0.00 O ATOM 308 CB LYS A 16 3.725 4.129 -2.278 1.00 0.00 C ATOM 309 CG LYS A 16 3.466 5.031 -3.487 1.00 0.00 C ATOM 310 CD LYS A 16 2.395 6.078 -3.171 1.00 0.00 C ATOM 311 CE LYS A 16 2.486 7.262 -4.136 1.00 0.00 C ATOM 312 NZ LYS A 16 3.170 8.404 -3.489 1.00 0.00 N ATOM 0 H LYS A 16 4.719 3.285 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 16 4.190 2.127 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.926 4.256 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.654 4.426 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.391 5.528 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.148 4.425 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.406 5.624 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.515 6.429 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.028 6.966 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.486 7.560 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.224 9.200 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.636 8.695 -2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.131 8.120 -3.210 1.00 0.00 H new ATOM 325 N ARG A 17 2.412 1.406 -4.210 1.00 0.00 N ATOM 326 CA ARG A 17 1.190 0.770 -4.670 1.00 0.00 C ATOM 327 C ARG A 17 1.019 -0.596 -4.004 1.00 0.00 C ATOM 328 O ARG A 17 -0.088 -1.129 -3.945 1.00 0.00 O ATOM 329 CB ARG A 17 1.202 0.590 -6.190 1.00 0.00 C ATOM 330 CG ARG A 17 0.766 1.875 -6.897 1.00 0.00 C ATOM 331 CD ARG A 17 -0.232 1.573 -8.017 1.00 0.00 C ATOM 332 NE ARG A 17 0.375 0.644 -8.997 1.00 0.00 N ATOM 333 CZ ARG A 17 -0.306 0.052 -10.001 1.00 0.00 C ATOM 334 NH1 ARG A 17 -1.626 0.288 -10.165 1.00 0.00 N ATOM 335 NH2 ARG A 17 0.336 -0.761 -10.818 1.00 0.00 N ATOM 0 H ARG A 17 3.204 1.318 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 17 0.357 1.418 -4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.203 0.311 -6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.536 -0.227 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.314 2.556 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.639 2.381 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.138 1.134 -7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.526 2.498 -8.513 1.00 0.00 H new ATOM 0 HE ARG A 17 1.370 0.438 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.115 0.917 -9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.134 -0.163 -10.926 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.332 -0.934 -10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.164 -1.216 -11.582 1.00 0.00 H new ATOM 348 N VAL A 18 2.132 -1.127 -3.517 1.00 0.00 N ATOM 349 CA VAL A 18 2.119 -2.420 -2.857 1.00 0.00 C ATOM 350 C VAL A 18 1.015 -2.438 -1.799 1.00 0.00 C ATOM 351 O VAL A 18 0.158 -3.320 -1.806 1.00 0.00 O ATOM 352 CB VAL A 18 3.503 -2.727 -2.281 1.00 0.00 C ATOM 353 CG1 VAL A 18 3.431 -3.862 -1.257 1.00 0.00 C ATOM 354 CG2 VAL A 18 4.500 -3.056 -3.394 1.00 0.00 C ATOM 0 H VAL A 18 3.049 -0.684 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 18 1.896 -3.211 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 18 3.857 -1.833 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.428 -4.060 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.769 -3.574 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.045 -4.761 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.475 -3.270 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.152 -3.927 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.584 -2.205 -4.070 1.00 0.00 H new ATOM 364 N PHE A 19 1.069 -1.452 -0.916 1.00 0.00 N ATOM 365 CA PHE A 19 0.083 -1.342 0.146 1.00 0.00 C ATOM 366 C PHE A 19 -1.337 -1.452 -0.411 1.00 0.00 C ATOM 367 O PHE A 19 -2.272 -1.774 0.320 1.00 0.00 O ATOM 368 CB PHE A 19 0.263 0.038 0.783 1.00 0.00 C ATOM 369 CG PHE A 19 1.715 0.380 1.124 1.00 0.00 C ATOM 370 CD1 PHE A 19 2.456 -0.476 1.878 1.00 0.00 C ATOM 371 CD2 PHE A 19 2.262 1.541 0.675 1.00 0.00 C ATOM 372 CE1 PHE A 19 3.803 -0.156 2.195 1.00 0.00 C ATOM 373 CE2 PHE A 19 3.610 1.860 0.992 1.00 0.00 C ATOM 374 CZ PHE A 19 4.352 1.004 1.745 1.00 0.00 C ATOM 0 H PHE A 19 1.781 -0.721 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 19 0.224 -2.145 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.128 0.795 0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.335 0.088 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.021 -1.398 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.672 2.220 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.392 -0.835 2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.045 2.782 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.377 1.246 1.985 1.00 0.00 H new ATOM 384 N ASN A 20 -1.455 -1.178 -1.703 1.00 0.00 N ATOM 385 CA ASN A 20 -2.746 -1.243 -2.367 1.00 0.00 C ATOM 386 C ASN A 20 -3.183 -2.705 -2.483 1.00 0.00 C ATOM 387 O ASN A 20 -4.244 -3.080 -1.987 1.00 0.00 O ATOM 388 CB ASN A 20 -2.668 -0.659 -3.779 1.00 0.00 C ATOM 389 CG ASN A 20 -4.029 -0.119 -4.225 1.00 0.00 C ATOM 390 OD1 ASN A 20 -5.032 -0.254 -3.545 1.00 0.00 O ATOM 391 ND2 ASN A 20 -4.005 0.501 -5.402 1.00 0.00 N ATOM 0 H ASN A 20 -0.678 -0.911 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.458 -0.667 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.929 0.142 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.331 -1.427 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.862 0.899 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.130 0.579 -5.920 1.00 0.00 H new ATOM 398 N ASP A 21 -2.343 -3.490 -3.141 1.00 0.00 N ATOM 399 CA ASP A 21 -2.629 -4.902 -3.327 1.00 0.00 C ATOM 400 C ASP A 21 -3.018 -5.522 -1.984 1.00 0.00 C ATOM 401 O ASP A 21 -3.841 -6.434 -1.932 1.00 0.00 O ATOM 402 CB ASP A 21 -1.401 -5.648 -3.855 1.00 0.00 C ATOM 403 CG ASP A 21 -1.317 -5.761 -5.378 1.00 0.00 C ATOM 404 OD1 ASP A 21 -1.657 -6.800 -5.961 1.00 0.00 O ATOM 405 OD2 ASP A 21 -0.875 -4.708 -5.978 1.00 0.00 O ATOM 0 H ASP A 21 -1.464 -3.175 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.442 -4.989 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.505 -5.143 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.395 -6.652 -3.431 1.00 0.00 H new ATOM 411 N ALA A 22 -2.408 -5.000 -0.929 1.00 0.00 N ATOM 412 CA ALA A 22 -2.681 -5.491 0.411 1.00 0.00 C ATOM 413 C ALA A 22 -4.188 -5.440 0.672 1.00 0.00 C ATOM 414 O ALA A 22 -4.695 -6.145 1.542 1.00 0.00 O ATOM 415 CB ALA A 22 -1.885 -4.669 1.427 1.00 0.00 C ATOM 0 H ALA A 22 -1.726 -4.243 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.365 -6.529 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.089 -5.037 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.820 -4.762 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.178 -3.622 1.357 1.00 0.00 H new ATOM 421 N ARG A 23 -4.861 -4.597 -0.098 1.00 0.00 N ATOM 422 CA ARG A 23 -6.300 -4.444 0.038 1.00 0.00 C ATOM 423 C ARG A 23 -7.027 -5.377 -0.932 1.00 0.00 C ATOM 424 O ARG A 23 -7.854 -4.931 -1.726 1.00 0.00 O ATOM 425 CB ARG A 23 -6.728 -3.002 -0.234 1.00 0.00 C ATOM 426 CG ARG A 23 -6.423 -2.102 0.966 1.00 0.00 C ATOM 427 CD ARG A 23 -5.254 -1.162 0.663 1.00 0.00 C ATOM 428 NE ARG A 23 -5.766 0.166 0.255 1.00 0.00 N ATOM 429 CZ ARG A 23 -4.981 1.197 -0.119 1.00 0.00 C ATOM 430 NH1 ARG A 23 -3.638 1.063 -0.140 1.00 0.00 N ATOM 431 NH2 ARG A 23 -5.545 2.340 -0.465 1.00 0.00 N ATOM 0 H ARG A 23 -4.436 -4.013 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.566 -4.702 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.210 -2.626 -1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.795 -2.971 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.307 -1.518 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.185 -2.716 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.619 -1.062 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.635 -1.582 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.776 0.310 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.210 0.177 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.052 1.848 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.561 2.434 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.965 3.129 -0.750 1.00 0.00 H new ATOM 444 N ASP A 24 -6.692 -6.656 -0.836 1.00 0.00 N ATOM 445 CA ASP A 24 -7.304 -7.655 -1.697 1.00 0.00 C ATOM 446 C ASP A 24 -7.632 -8.900 -0.869 1.00 0.00 C ATOM 447 O ASP A 24 -8.798 -9.174 -0.589 1.00 0.00 O ATOM 448 CB ASP A 24 -6.352 -8.072 -2.819 1.00 0.00 C ATOM 449 CG ASP A 24 -6.419 -7.203 -4.077 1.00 0.00 C ATOM 450 OD1 ASP A 24 -5.681 -6.215 -4.211 1.00 0.00 O ATOM 451 OD2 ASP A 24 -7.285 -7.582 -4.956 1.00 0.00 O ATOM 0 H ASP A 24 -6.006 -7.023 -0.176 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.205 -7.222 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.332 -8.053 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.569 -9.104 -3.096 1.00 0.00 H new ATOM 457 N ILE A 25 -6.583 -9.622 -0.502 1.00 0.00 N ATOM 458 CA ILE A 25 -6.746 -10.830 0.287 1.00 0.00 C ATOM 459 C ILE A 25 -5.413 -11.187 0.947 1.00 0.00 C ATOM 460 O ILE A 25 -5.309 -11.212 2.173 1.00 0.00 O ATOM 461 CB ILE A 25 -7.326 -11.957 -0.571 1.00 0.00 C ATOM 462 CG1 ILE A 25 -6.751 -11.919 -1.989 1.00 0.00 C ATOM 463 CG2 ILE A 25 -8.856 -11.911 -0.574 1.00 0.00 C ATOM 464 CD1 ILE A 25 -6.126 -13.264 -2.362 1.00 0.00 C ATOM 0 H ILE A 25 -5.617 -9.393 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.467 -10.666 1.088 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.031 -12.909 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.540 -11.671 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.000 -11.132 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.243 -12.722 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.225 -12.022 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.190 -10.956 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.725 -13.211 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.321 -13.497 -1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.886 -14.044 -2.314 1.00 0.00 H new ATOM 476 N ILE A 26 -4.424 -11.454 0.106 1.00 0.00 N ATOM 477 CA ILE A 26 -3.101 -11.807 0.592 1.00 0.00 C ATOM 478 C ILE A 26 -2.046 -11.048 -0.215 1.00 0.00 C ATOM 479 O ILE A 26 -1.123 -11.651 -0.759 1.00 0.00 O ATOM 480 CB ILE A 26 -2.912 -13.326 0.576 1.00 0.00 C ATOM 481 CG1 ILE A 26 -4.190 -14.042 1.018 1.00 0.00 C ATOM 482 CG2 ILE A 26 -1.704 -13.737 1.419 1.00 0.00 C ATOM 483 CD1 ILE A 26 -4.564 -13.662 2.453 1.00 0.00 C ATOM 0 H ILE A 26 -4.513 -11.433 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.985 -11.505 1.633 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.708 -13.634 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.007 -13.783 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.049 -15.121 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.592 -14.821 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.805 -13.269 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.853 -13.414 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.476 -14.185 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.755 -13.944 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.728 -12.586 2.514 1.00 0.00 H new ATOM 495 N GLN A 27 -2.219 -9.735 -0.266 1.00 0.00 N ATOM 496 CA GLN A 27 -1.293 -8.887 -0.996 1.00 0.00 C ATOM 497 C GLN A 27 -1.295 -9.254 -2.481 1.00 0.00 C ATOM 498 O GLN A 27 -0.445 -8.792 -3.241 1.00 0.00 O ATOM 499 CB GLN A 27 0.118 -8.982 -0.410 1.00 0.00 C ATOM 500 CG GLN A 27 1.068 -8.006 -1.106 1.00 0.00 C ATOM 501 CD GLN A 27 2.181 -8.754 -1.843 1.00 0.00 C ATOM 502 OE1 GLN A 27 2.284 -9.969 -1.795 1.00 0.00 O ATOM 503 NE2 GLN A 27 3.005 -7.963 -2.523 1.00 0.00 N ATOM 0 H GLN A 27 -2.987 -9.238 0.186 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.623 -7.853 -0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.087 -8.766 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.493 -10.000 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.510 -7.391 -1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.505 -7.331 -0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.861 -6.953 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.781 -8.366 -3.048 1.00 0.00 H new ATOM 512 N ARG A 28 -2.261 -10.083 -2.851 1.00 0.00 N ATOM 513 CA ARG A 28 -2.385 -10.517 -4.232 1.00 0.00 C ATOM 514 C ARG A 28 -1.237 -11.460 -4.597 1.00 0.00 C ATOM 515 O ARG A 28 -0.674 -11.368 -5.687 1.00 0.00 O ATOM 516 CB ARG A 28 -2.377 -9.323 -5.189 1.00 0.00 C ATOM 517 CG ARG A 28 -3.473 -8.320 -4.821 1.00 0.00 C ATOM 518 CD ARG A 28 -4.242 -7.867 -6.064 1.00 0.00 C ATOM 519 NE ARG A 28 -5.456 -8.694 -6.237 1.00 0.00 N ATOM 520 CZ ARG A 28 -6.084 -8.879 -7.418 1.00 0.00 C ATOM 521 NH1 ARG A 28 -5.615 -8.296 -8.542 1.00 0.00 N ATOM 522 NH2 ARG A 28 -7.163 -9.638 -7.456 1.00 0.00 N ATOM 0 H ARG A 28 -2.964 -10.465 -2.219 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.336 -11.040 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.404 -8.833 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.525 -9.670 -6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.162 -8.774 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.029 -7.455 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.518 -6.817 -5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.606 -7.951 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.843 -9.153 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.780 -7.711 -8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.095 -8.441 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.510 -10.074 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.650 -9.788 -8.340 1.00 0.00 H new ATOM 535 N MET A 29 -0.924 -12.348 -3.664 1.00 0.00 N ATOM 536 CA MET A 29 0.147 -13.308 -3.874 1.00 0.00 C ATOM 537 C MET A 29 -0.378 -14.742 -3.788 1.00 0.00 C ATOM 538 O MET A 29 -0.008 -15.592 -4.596 1.00 0.00 O ATOM 539 CB MET A 29 1.235 -13.099 -2.819 1.00 0.00 C ATOM 540 CG MET A 29 0.900 -13.848 -1.529 1.00 0.00 C ATOM 541 SD MET A 29 2.170 -13.563 -0.308 1.00 0.00 S ATOM 542 CE MET A 29 1.524 -14.532 1.045 1.00 0.00 C ATOM 0 H MET A 29 -1.393 -12.423 -2.761 1.00 0.00 H new ATOM 0 HA MET A 29 0.560 -13.151 -4.870 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.193 -13.446 -3.206 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.342 -12.035 -2.608 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.065 -13.515 -1.146 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.812 -14.915 -1.731 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.219 -13.869 1.854 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.663 -15.107 0.703 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.295 -15.213 1.405 1.00 0.00 H new ATOM 552 N HIS A 30 -1.232 -14.968 -2.800 1.00 0.00 N ATOM 553 CA HIS A 30 -1.812 -16.285 -2.599 1.00 0.00 C ATOM 554 C HIS A 30 -3.035 -16.451 -3.502 1.00 0.00 C ATOM 555 O HIS A 30 -3.759 -17.441 -3.397 1.00 0.00 O ATOM 556 CB HIS A 30 -2.131 -16.517 -1.120 1.00 0.00 C ATOM 557 CG HIS A 30 -1.778 -17.900 -0.626 1.00 0.00 C ATOM 558 ND1 HIS A 30 -0.516 -18.450 -0.777 1.00 0.00 N ATOM 559 CD2 HIS A 30 -2.532 -18.835 0.019 1.00 0.00 C ATOM 560 CE1 HIS A 30 -0.523 -19.663 -0.244 1.00 0.00 C ATOM 561 NE2 HIS A 30 -1.773 -19.900 0.249 1.00 0.00 N ATOM 0 H HIS A 30 -1.536 -14.261 -2.130 1.00 0.00 H new ATOM 0 HA HIS A 30 -1.090 -17.051 -2.881 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.593 -15.781 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.195 -16.344 -0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.570 -18.728 0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.314 -20.345 -0.206 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.075 -20.755 0.717 1.00 0.00 H new ATOM 569 N LEU A 31 -3.228 -15.470 -4.370 1.00 0.00 N ATOM 570 CA LEU A 31 -4.351 -15.495 -5.292 1.00 0.00 C ATOM 571 C LEU A 31 -4.281 -16.767 -6.139 1.00 0.00 C ATOM 572 O LEU A 31 -3.598 -17.723 -5.775 1.00 0.00 O ATOM 573 CB LEU A 31 -4.396 -14.207 -6.118 1.00 0.00 C ATOM 574 CG LEU A 31 -5.583 -13.281 -5.852 1.00 0.00 C ATOM 575 CD1 LEU A 31 -5.180 -11.813 -6.010 1.00 0.00 C ATOM 576 CD2 LEU A 31 -6.774 -13.646 -6.740 1.00 0.00 C ATOM 0 H LEU A 31 -2.625 -14.652 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.293 -15.527 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.478 -13.649 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.400 -14.476 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.898 -13.420 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.043 -11.176 -5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.386 -11.575 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.824 -11.641 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.604 -12.972 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.488 -13.555 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.079 -14.672 -6.535 1.00 0.00 H new ATOM 588 N ARG A 32 -4.998 -16.738 -7.253 1.00 0.00 N ATOM 589 CA ARG A 32 -5.026 -17.877 -8.154 1.00 0.00 C ATOM 590 C ARG A 32 -3.625 -18.156 -8.701 1.00 0.00 C ATOM 591 O ARG A 32 -2.994 -19.145 -8.329 1.00 0.00 O ATOM 592 CB ARG A 32 -5.982 -17.630 -9.323 1.00 0.00 C ATOM 593 CG ARG A 32 -6.022 -18.838 -10.263 1.00 0.00 C ATOM 594 CD ARG A 32 -7.002 -19.898 -9.752 1.00 0.00 C ATOM 595 NE ARG A 32 -8.217 -19.912 -10.597 1.00 0.00 N ATOM 596 CZ ARG A 32 -9.408 -20.410 -10.200 1.00 0.00 C ATOM 597 NH1 ARG A 32 -9.553 -20.940 -8.967 1.00 0.00 N ATOM 598 NH2 ARG A 32 -10.428 -20.372 -11.037 1.00 0.00 N ATOM 0 H ARG A 32 -5.564 -15.944 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.377 -18.740 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.983 -17.427 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.666 -16.745 -9.875 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.317 -18.516 -11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.025 -19.270 -10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.528 -20.880 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.271 -19.688 -8.717 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.151 -19.522 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.759 -20.967 -8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.456 -21.314 -8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.310 -19.971 -11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.335 -20.744 -10.753 1.00 0.00 H new ATOM 611 N GLN A 33 -3.177 -17.267 -9.577 1.00 0.00 N ATOM 612 CA GLN A 33 -1.862 -17.404 -10.178 1.00 0.00 C ATOM 613 C GLN A 33 -1.426 -18.871 -10.169 1.00 0.00 C ATOM 614 O GLN A 33 -0.409 -19.217 -9.570 1.00 0.00 O ATOM 615 CB GLN A 33 -0.836 -16.524 -9.462 1.00 0.00 C ATOM 616 CG GLN A 33 -1.067 -16.532 -7.949 1.00 0.00 C ATOM 617 CD GLN A 33 -1.634 -15.193 -7.473 1.00 0.00 C ATOM 618 OE1 GLN A 33 -1.346 -14.719 -6.387 1.00 0.00 O ATOM 619 NE2 GLN A 33 -2.454 -14.613 -8.345 1.00 0.00 N ATOM 0 H GLN A 33 -3.703 -16.449 -9.884 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.921 -17.067 -11.213 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.170 -16.880 -9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.902 -15.503 -9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.755 -17.336 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.128 -16.736 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.652 -15.065 -9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.885 -13.716 -8.121 1.00 0.00 H new ATOM 628 N TYR A 34 -2.216 -19.694 -10.842 1.00 0.00 N ATOM 629 CA TYR A 34 -1.925 -21.116 -10.920 1.00 0.00 C ATOM 630 C TYR A 34 -0.997 -21.422 -12.098 1.00 0.00 C ATOM 631 O TYR A 34 -1.139 -22.454 -12.752 1.00 0.00 O ATOM 632 CB TYR A 34 -3.269 -21.811 -11.151 1.00 0.00 C ATOM 633 CG TYR A 34 -3.673 -21.910 -12.622 1.00 0.00 C ATOM 634 CD1 TYR A 34 -4.178 -20.804 -13.276 1.00 0.00 C ATOM 635 CD2 TYR A 34 -3.533 -23.105 -13.297 1.00 0.00 C ATOM 636 CE1 TYR A 34 -4.560 -20.897 -14.661 1.00 0.00 C ATOM 637 CE2 TYR A 34 -3.914 -23.198 -14.683 1.00 0.00 C ATOM 638 CZ TYR A 34 -4.409 -22.090 -15.297 1.00 0.00 C ATOM 639 OH TYR A 34 -4.767 -22.178 -16.605 1.00 0.00 O ATOM 0 H TYR A 34 -3.058 -19.403 -11.339 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.430 -21.456 -10.010 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.225 -22.815 -10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.044 -21.271 -10.608 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.287 -19.868 -12.748 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.138 -23.971 -12.786 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.957 -20.039 -15.183 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.809 -24.127 -15.223 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.603 -23.088 -16.928 1.00 0.00 H new ATOM 649 N GLU A 35 -0.070 -20.505 -12.333 1.00 0.00 N ATOM 650 CA GLU A 35 0.880 -20.664 -13.421 1.00 0.00 C ATOM 651 C GLU A 35 1.653 -21.974 -13.263 1.00 0.00 C ATOM 652 O GLU A 35 1.211 -22.879 -12.557 1.00 0.00 O ATOM 653 CB GLU A 35 1.833 -19.470 -13.495 1.00 0.00 C ATOM 654 CG GLU A 35 2.167 -19.123 -14.947 1.00 0.00 C ATOM 655 CD GLU A 35 3.562 -18.505 -15.057 1.00 0.00 C ATOM 656 OE1 GLU A 35 4.372 -18.946 -15.887 1.00 0.00 O ATOM 657 OE2 GLU A 35 3.793 -17.532 -14.242 1.00 0.00 O ATOM 0 H GLU A 35 0.043 -19.650 -11.789 1.00 0.00 H new ATOM 0 HA GLU A 35 0.326 -20.703 -14.359 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.379 -18.608 -13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.750 -19.698 -12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.115 -20.022 -15.561 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.425 -18.427 -15.338 1.00 0.00 H new ATOM 665 N LEU A 36 2.795 -22.035 -13.934 1.00 0.00 N ATOM 666 CA LEU A 36 3.633 -23.220 -13.877 1.00 0.00 C ATOM 667 C LEU A 36 3.583 -23.809 -12.465 1.00 0.00 C ATOM 668 O LEU A 36 3.650 -25.024 -12.293 1.00 0.00 O ATOM 669 CB LEU A 36 5.050 -22.898 -14.358 1.00 0.00 C ATOM 670 CG LEU A 36 5.878 -21.991 -13.445 1.00 0.00 C ATOM 671 CD1 LEU A 36 7.036 -22.762 -12.809 1.00 0.00 C ATOM 672 CD2 LEU A 36 6.361 -20.750 -14.199 1.00 0.00 C ATOM 0 H LEU A 36 3.159 -21.283 -14.519 1.00 0.00 H new ATOM 0 HA LEU A 36 3.256 -23.985 -14.556 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.589 -23.836 -14.491 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.981 -22.428 -15.339 1.00 0.00 H new ATOM 0 HG LEU A 36 5.237 -21.647 -12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.608 -22.094 -12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.642 -23.587 -12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.685 -23.155 -13.592 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.947 -20.122 -13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.979 -21.055 -15.043 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.501 -20.188 -14.564 1.00 0.00 H new ATOM 684 N LEU A 37 3.464 -22.918 -11.491 1.00 0.00 N ATOM 685 CA LEU A 37 3.404 -23.334 -10.100 1.00 0.00 C ATOM 686 C LEU A 37 2.583 -24.621 -9.992 1.00 0.00 C ATOM 687 O LEU A 37 2.458 -25.192 -8.911 1.00 0.00 O ATOM 688 CB LEU A 37 2.879 -22.195 -9.223 1.00 0.00 C ATOM 689 CG LEU A 37 3.889 -21.576 -8.254 1.00 0.00 C ATOM 690 CD1 LEU A 37 3.484 -20.148 -7.880 1.00 0.00 C ATOM 691 CD2 LEU A 37 4.079 -22.460 -7.021 1.00 0.00 C ATOM 0 H LEU A 37 3.408 -21.910 -11.638 1.00 0.00 H new ATOM 0 HA LEU A 37 4.403 -23.560 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.499 -21.407 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.033 -22.567 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 37 4.854 -21.516 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.218 -19.730 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.441 -19.534 -8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.504 -20.161 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.802 -21.997 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.126 -22.575 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.445 -23.439 -7.328 1.00 0.00 H new TER 703 LEU A 37