USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot -80:sc= 1.58! USER MOD Set 1.2: A 30 SER OG : rot 138:sc= 1.16 USER MOD Set 1.3: A 72 THR OG1 : rot 105:sc= 0.992 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.00399 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -46:sc= -0.181! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-2.2) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.00374) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -14! C(o=-14!,f=-17!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -7.27! C(o=-7.3!,f=-11!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 83:sc= -2.91! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.441) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.506 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.9) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 160:sc= -2.63! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.267) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.9!) USER MOD Single : A 68 GLN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.044 -21.430 5.558 1.00 0.00 N ATOM 2 CA GLY A 1 -10.856 -22.323 5.453 1.00 0.00 C ATOM 3 C GLY A 1 -11.035 -23.527 6.381 1.00 0.00 C ATOM 4 O GLY A 1 -12.079 -24.148 6.412 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.274 -21.046 4.619 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.855 -21.972 5.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.833 -20.647 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.731 -22.660 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.952 -21.776 5.721 1.00 0.00 H new ATOM 7 N ASP A 2 -10.025 -23.860 7.136 1.00 0.00 N ATOM 8 CA ASP A 2 -10.137 -25.024 8.063 1.00 0.00 C ATOM 9 C ASP A 2 -10.548 -26.280 7.291 1.00 0.00 C ATOM 10 O ASP A 2 -11.681 -26.718 7.356 1.00 0.00 O ATOM 11 CB ASP A 2 -11.223 -24.631 9.065 1.00 0.00 C ATOM 12 CG ASP A 2 -10.635 -24.619 10.477 1.00 0.00 C ATOM 13 OD1 ASP A 2 -9.446 -24.371 10.600 1.00 0.00 O ATOM 14 OD2 ASP A 2 -11.381 -24.858 11.411 1.00 0.00 O ATOM 0 H ASP A 2 -9.127 -23.377 7.152 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.191 -25.250 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.622 -23.647 8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.054 -25.335 9.012 1.00 0.00 H new ATOM 19 N THR A 3 -9.639 -26.865 6.562 1.00 0.00 N ATOM 20 CA THR A 3 -9.980 -28.094 5.788 1.00 0.00 C ATOM 21 C THR A 3 -8.703 -28.806 5.334 1.00 0.00 C ATOM 22 O THR A 3 -8.628 -29.314 4.234 1.00 0.00 O ATOM 23 CB THR A 3 -10.777 -27.594 4.582 1.00 0.00 C ATOM 24 OG1 THR A 3 -11.728 -26.630 5.011 1.00 0.00 O ATOM 25 CG2 THR A 3 -11.500 -28.770 3.924 1.00 0.00 C ATOM 0 H THR A 3 -8.675 -26.546 6.468 1.00 0.00 H new ATOM 0 HA THR A 3 -10.547 -28.812 6.381 1.00 0.00 H new ATOM 0 HB THR A 3 -10.098 -27.138 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.195 -26.963 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.068 -28.413 3.065 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.769 -29.508 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.179 -29.228 4.643 1.00 0.00 H new ATOM 33 N LEU A 4 -7.703 -28.844 6.177 1.00 0.00 N ATOM 34 CA LEU A 4 -6.421 -29.521 5.809 1.00 0.00 C ATOM 35 C LEU A 4 -6.208 -29.493 4.290 1.00 0.00 C ATOM 36 O LEU A 4 -6.302 -28.457 3.663 1.00 0.00 O ATOM 37 CB LEU A 4 -6.576 -30.959 6.310 1.00 0.00 C ATOM 38 CG LEU A 4 -7.787 -31.610 5.641 1.00 0.00 C ATOM 39 CD1 LEU A 4 -7.549 -33.114 5.504 1.00 0.00 C ATOM 40 CD2 LEU A 4 -9.032 -31.368 6.498 1.00 0.00 C ATOM 0 H LEU A 4 -7.719 -28.433 7.110 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.555 -29.026 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.675 -31.531 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.699 -30.966 7.393 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.933 -31.175 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.413 -33.577 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.662 -33.288 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.403 -33.551 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.897 -31.831 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.884 -31.804 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.203 -30.296 6.596 1.00 0.00 H new ATOM 52 N GLY A 5 -5.920 -30.619 3.695 1.00 0.00 N ATOM 53 CA GLY A 5 -5.702 -30.647 2.220 1.00 0.00 C ATOM 54 C GLY A 5 -6.268 -31.945 1.641 1.00 0.00 C ATOM 55 O GLY A 5 -5.567 -32.925 1.488 1.00 0.00 O ATOM 0 H GLY A 5 -5.826 -31.519 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.186 -29.788 1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.637 -30.572 1.998 1.00 0.00 H new ATOM 59 N ALA A 6 -7.532 -31.960 1.315 1.00 0.00 N ATOM 60 CA ALA A 6 -8.142 -33.197 0.746 1.00 0.00 C ATOM 61 C ALA A 6 -9.233 -32.834 -0.266 1.00 0.00 C ATOM 62 O ALA A 6 -9.990 -33.676 -0.705 1.00 0.00 O ATOM 63 CB ALA A 6 -8.744 -33.929 1.944 1.00 0.00 C ATOM 0 H ALA A 6 -8.169 -31.170 1.418 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.412 -33.811 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.214 -34.853 1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.957 -34.162 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.492 -33.295 2.420 1.00 0.00 H new ATOM 69 N SER A 7 -9.321 -31.586 -0.639 1.00 0.00 N ATOM 70 CA SER A 7 -10.364 -31.173 -1.620 1.00 0.00 C ATOM 71 C SER A 7 -10.265 -29.669 -1.892 1.00 0.00 C ATOM 72 O SER A 7 -10.050 -28.881 -0.993 1.00 0.00 O ATOM 73 CB SER A 7 -11.696 -31.510 -0.951 1.00 0.00 C ATOM 74 OG SER A 7 -12.720 -30.692 -1.502 1.00 0.00 O ATOM 0 H SER A 7 -8.716 -30.835 -0.307 1.00 0.00 H new ATOM 0 HA SER A 7 -10.252 -31.679 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.935 -32.563 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.626 -31.350 0.125 1.00 0.00 H new ATOM 0 HG SER A 7 -13.576 -30.907 -1.076 1.00 0.00 H new ATOM 80 N TRP A 8 -10.419 -29.266 -3.123 1.00 0.00 N ATOM 81 CA TRP A 8 -10.331 -27.813 -3.447 1.00 0.00 C ATOM 82 C TRP A 8 -10.644 -27.579 -4.927 1.00 0.00 C ATOM 83 O TRP A 8 -10.782 -28.510 -5.697 1.00 0.00 O ATOM 84 CB TRP A 8 -8.886 -27.425 -3.136 1.00 0.00 C ATOM 85 CG TRP A 8 -7.957 -28.401 -3.785 1.00 0.00 C ATOM 86 CD1 TRP A 8 -7.798 -28.551 -5.120 1.00 0.00 C ATOM 87 CD2 TRP A 8 -7.058 -29.359 -3.155 1.00 0.00 C ATOM 88 NE1 TRP A 8 -6.859 -29.540 -5.349 1.00 0.00 N ATOM 89 CE2 TRP A 8 -6.374 -30.069 -4.170 1.00 0.00 C ATOM 90 CE3 TRP A 8 -6.773 -29.678 -1.815 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -5.439 -31.060 -3.867 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -5.833 -30.676 -1.506 1.00 0.00 C ATOM 93 CH2 TRP A 8 -5.168 -31.365 -2.530 1.00 0.00 C ATOM 0 H TRP A 8 -10.602 -29.878 -3.918 1.00 0.00 H new ATOM 0 HA TRP A 8 -11.045 -27.219 -2.876 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -8.683 -26.417 -3.498 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.725 -27.415 -2.058 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -8.319 -27.990 -5.882 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.561 -29.842 -6.277 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -7.280 -29.153 -1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.929 -31.587 -4.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.622 -30.914 -0.474 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.447 -32.131 -2.286 1.00 0.00 H new ATOM 104 N HIS A 9 -10.757 -26.343 -5.330 1.00 0.00 N ATOM 105 CA HIS A 9 -11.061 -26.049 -6.760 1.00 0.00 C ATOM 106 C HIS A 9 -10.784 -24.575 -7.067 1.00 0.00 C ATOM 107 O HIS A 9 -11.493 -23.695 -6.621 1.00 0.00 O ATOM 108 CB HIS A 9 -12.551 -26.360 -6.924 1.00 0.00 C ATOM 109 CG HIS A 9 -13.303 -25.885 -5.711 1.00 0.00 C ATOM 110 ND1 HIS A 9 -13.518 -26.700 -4.609 1.00 0.00 N ATOM 111 CD2 HIS A 9 -13.896 -24.684 -5.410 1.00 0.00 C ATOM 112 CE1 HIS A 9 -14.214 -25.986 -3.707 1.00 0.00 C ATOM 113 NE2 HIS A 9 -14.471 -24.750 -4.145 1.00 0.00 N ATOM 0 H HIS A 9 -10.652 -25.524 -4.731 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.446 -26.637 -7.441 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.938 -25.872 -7.818 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.696 -27.432 -7.058 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.913 -23.819 -6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.527 -26.365 -2.746 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.980 -24.013 -3.657 1.00 0.00 H new ATOM 121 N ARG A 10 -9.755 -24.301 -7.824 1.00 0.00 N ATOM 122 CA ARG A 10 -9.427 -22.884 -8.161 1.00 0.00 C ATOM 123 C ARG A 10 -9.166 -22.083 -6.882 1.00 0.00 C ATOM 124 O ARG A 10 -9.886 -22.206 -5.912 1.00 0.00 O ATOM 125 CB ARG A 10 -10.662 -22.350 -8.890 1.00 0.00 C ATOM 126 CG ARG A 10 -10.897 -23.166 -10.163 1.00 0.00 C ATOM 127 CD ARG A 10 -9.893 -22.740 -11.236 1.00 0.00 C ATOM 128 NE ARG A 10 -9.902 -23.847 -12.232 1.00 0.00 N ATOM 129 CZ ARG A 10 -9.574 -23.610 -13.473 1.00 0.00 C ATOM 130 NH1 ARG A 10 -8.704 -22.679 -13.752 1.00 0.00 N ATOM 131 NH2 ARG A 10 -10.115 -24.307 -14.435 1.00 0.00 N ATOM 0 H ARG A 10 -9.127 -24.998 -8.224 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.529 -22.803 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.535 -22.411 -8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.523 -21.298 -9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.789 -24.230 -9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.915 -23.014 -10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.182 -21.794 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.899 -22.598 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.164 -24.790 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.280 -22.136 -13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.448 -22.494 -14.722 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.794 -25.036 -14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.859 -24.122 -15.405 1.00 0.00 H new ATOM 145 N PRO A 11 -8.134 -21.285 -6.926 1.00 0.00 N ATOM 146 CA PRO A 11 -7.763 -20.450 -5.757 1.00 0.00 C ATOM 147 C PRO A 11 -8.760 -19.301 -5.580 1.00 0.00 C ATOM 148 O PRO A 11 -9.814 -19.283 -6.184 1.00 0.00 O ATOM 149 CB PRO A 11 -6.380 -19.919 -6.120 1.00 0.00 C ATOM 150 CG PRO A 11 -6.332 -19.955 -7.614 1.00 0.00 C ATOM 151 CD PRO A 11 -7.223 -21.085 -8.059 1.00 0.00 C ATOM 0 HA PRO A 11 -7.769 -21.003 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.235 -18.906 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.594 -20.536 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.672 -19.008 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.311 -20.109 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.767 -20.830 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.648 -21.986 -8.273 1.00 0.00 H new ATOM 159 N ASP A 12 -8.434 -18.343 -4.757 1.00 0.00 N ATOM 160 CA ASP A 12 -9.362 -17.196 -4.541 1.00 0.00 C ATOM 161 C ASP A 12 -8.608 -15.872 -4.684 1.00 0.00 C ATOM 162 O ASP A 12 -8.395 -15.161 -3.721 1.00 0.00 O ATOM 163 CB ASP A 12 -9.879 -17.370 -3.113 1.00 0.00 C ATOM 164 CG ASP A 12 -8.702 -17.646 -2.174 1.00 0.00 C ATOM 165 OD1 ASP A 12 -7.603 -17.224 -2.495 1.00 0.00 O ATOM 166 OD2 ASP A 12 -8.921 -18.275 -1.152 1.00 0.00 O ATOM 0 H ASP A 12 -7.565 -18.304 -4.224 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.174 -17.177 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.409 -16.472 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.592 -18.193 -3.071 1.00 0.00 H new ATOM 171 N LYS A 13 -8.204 -15.534 -5.877 1.00 0.00 N ATOM 172 CA LYS A 13 -7.466 -14.255 -6.083 1.00 0.00 C ATOM 173 C LYS A 13 -8.114 -13.133 -5.268 1.00 0.00 C ATOM 174 O LYS A 13 -9.302 -12.895 -5.358 1.00 0.00 O ATOM 175 CB LYS A 13 -7.583 -13.968 -7.579 1.00 0.00 C ATOM 176 CG LYS A 13 -6.214 -13.568 -8.133 1.00 0.00 C ATOM 177 CD LYS A 13 -6.273 -13.528 -9.661 1.00 0.00 C ATOM 178 CE LYS A 13 -5.195 -12.580 -10.189 1.00 0.00 C ATOM 179 NZ LYS A 13 -5.824 -11.231 -10.161 1.00 0.00 N ATOM 0 H LYS A 13 -8.353 -16.089 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.427 -14.321 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.954 -14.850 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.304 -13.169 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.924 -12.592 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.456 -14.280 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.123 -14.528 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.258 -13.195 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.301 -12.612 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.890 -12.853 -11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.090 -10.503 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.515 -11.154 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.307 -11.092 -9.251 1.00 0.00 H new ATOM 193 N CYS A 14 -7.344 -12.441 -4.472 1.00 0.00 N ATOM 194 CA CYS A 14 -7.921 -11.337 -3.654 1.00 0.00 C ATOM 195 C CYS A 14 -6.918 -10.190 -3.517 1.00 0.00 C ATOM 196 O CYS A 14 -7.269 -9.032 -3.621 1.00 0.00 O ATOM 197 CB CYS A 14 -8.211 -11.961 -2.288 1.00 0.00 C ATOM 198 SG CYS A 14 -9.892 -12.630 -2.276 1.00 0.00 S ATOM 0 H CYS A 14 -6.342 -12.592 -4.353 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.818 -10.918 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.492 -12.752 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.100 -11.213 -1.503 1.00 0.00 H new ATOM 203 N CYS A 15 -5.677 -10.502 -3.281 1.00 0.00 N ATOM 204 CA CYS A 15 -4.656 -9.425 -3.133 1.00 0.00 C ATOM 205 C CYS A 15 -3.276 -10.024 -2.858 1.00 0.00 C ATOM 206 O CYS A 15 -3.096 -11.226 -2.842 1.00 0.00 O ATOM 207 CB CYS A 15 -5.120 -8.611 -1.924 1.00 0.00 C ATOM 208 SG CYS A 15 -4.749 -6.861 -2.188 1.00 0.00 S ATOM 0 H CYS A 15 -5.323 -11.454 -3.184 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.567 -8.822 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.191 -8.747 -1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.622 -8.966 -1.022 1.00 0.00 H new ATOM 213 N LEU A 16 -2.305 -9.186 -2.618 1.00 0.00 N ATOM 214 CA LEU A 16 -0.934 -9.685 -2.313 1.00 0.00 C ATOM 215 C LEU A 16 -0.851 -10.057 -0.842 1.00 0.00 C ATOM 216 O LEU A 16 0.207 -10.037 -0.246 1.00 0.00 O ATOM 217 CB LEU A 16 -0.018 -8.493 -2.572 1.00 0.00 C ATOM 218 CG LEU A 16 1.200 -8.946 -3.378 1.00 0.00 C ATOM 219 CD1 LEU A 16 1.488 -7.930 -4.485 1.00 0.00 C ATOM 220 CD2 LEU A 16 2.415 -9.046 -2.451 1.00 0.00 C ATOM 0 H LEU A 16 -2.403 -8.171 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.669 -10.559 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.558 -7.718 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.302 -8.055 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 16 0.999 -9.920 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.356 -8.254 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.624 -7.856 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.690 -6.955 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.284 -9.369 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.615 -8.071 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.212 -9.770 -1.662 1.00 0.00 H new ATOM 232 N GLY A 17 -1.961 -10.342 -0.232 1.00 0.00 N ATOM 233 CA GLY A 17 -1.926 -10.645 1.215 1.00 0.00 C ATOM 234 C GLY A 17 -1.409 -9.386 1.892 1.00 0.00 C ATOM 235 O GLY A 17 -2.031 -8.348 1.824 1.00 0.00 O ATOM 0 H GLY A 17 -2.882 -10.378 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.918 -10.907 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.275 -11.495 1.421 1.00 0.00 H new ATOM 239 N TYR A 18 -0.258 -9.445 2.494 1.00 0.00 N ATOM 240 CA TYR A 18 0.305 -8.221 3.126 1.00 0.00 C ATOM 241 C TYR A 18 1.747 -8.021 2.660 1.00 0.00 C ATOM 242 O TYR A 18 2.586 -8.886 2.808 1.00 0.00 O ATOM 243 CB TYR A 18 0.246 -8.469 4.631 1.00 0.00 C ATOM 244 CG TYR A 18 -1.195 -8.487 5.094 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.211 -7.961 4.280 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.515 -9.030 6.344 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.540 -7.983 4.719 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.844 -9.050 6.781 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.857 -8.526 5.969 1.00 0.00 C ATOM 250 OH TYR A 18 -5.167 -8.546 6.400 1.00 0.00 O ATOM 0 H TYR A 18 0.317 -10.284 2.577 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.249 -7.322 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.726 -9.418 4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.797 -7.690 5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.967 -7.540 3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.735 -9.434 6.972 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.322 -7.580 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.089 -9.470 7.745 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.213 -8.958 7.288 1.00 0.00 H new ATOM 260 N GLN A 19 2.031 -6.886 2.087 1.00 0.00 N ATOM 261 CA GLN A 19 3.411 -6.621 1.594 1.00 0.00 C ATOM 262 C GLN A 19 4.445 -7.136 2.596 1.00 0.00 C ATOM 263 O GLN A 19 4.419 -6.803 3.764 1.00 0.00 O ATOM 264 CB GLN A 19 3.491 -5.096 1.445 1.00 0.00 C ATOM 265 CG GLN A 19 4.919 -4.612 1.684 1.00 0.00 C ATOM 266 CD GLN A 19 5.720 -4.763 0.394 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.329 -3.820 -0.071 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.747 -5.916 -0.208 1.00 0.00 N ATOM 0 H GLN A 19 1.365 -6.128 1.938 1.00 0.00 H new ATOM 0 HA GLN A 19 3.621 -7.128 0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.164 -4.804 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.815 -4.619 2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.914 -3.570 2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.383 -5.189 2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.236 -6.707 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.280 -6.029 -1.071 1.00 0.00 H new ATOM 277 N LYS A 20 5.364 -7.939 2.139 1.00 0.00 N ATOM 278 CA LYS A 20 6.416 -8.471 3.050 1.00 0.00 C ATOM 279 C LYS A 20 7.631 -7.543 3.019 1.00 0.00 C ATOM 280 O LYS A 20 8.224 -7.239 4.034 1.00 0.00 O ATOM 281 CB LYS A 20 6.773 -9.847 2.487 1.00 0.00 C ATOM 282 CG LYS A 20 6.972 -10.835 3.639 1.00 0.00 C ATOM 283 CD LYS A 20 7.379 -12.199 3.078 1.00 0.00 C ATOM 284 CE LYS A 20 7.654 -13.164 4.233 1.00 0.00 C ATOM 285 NZ LYS A 20 6.575 -14.187 4.145 1.00 0.00 N ATOM 0 H LYS A 20 5.433 -8.251 1.170 1.00 0.00 H new ATOM 0 HA LYS A 20 6.083 -8.537 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.980 -10.198 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.682 -9.782 1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.739 -10.466 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.052 -10.927 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.587 -12.593 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.268 -12.098 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.639 -13.621 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.631 -12.648 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.696 -14.885 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.649 -13.724 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.626 -14.667 3.224 1.00 0.00 H new ATOM 299 N ARG A 21 7.993 -7.080 1.853 1.00 0.00 N ATOM 300 CA ARG A 21 9.156 -6.156 1.739 1.00 0.00 C ATOM 301 C ARG A 21 8.711 -4.731 2.046 1.00 0.00 C ATOM 302 O ARG A 21 7.547 -4.406 1.948 1.00 0.00 O ATOM 303 CB ARG A 21 9.616 -6.276 0.286 1.00 0.00 C ATOM 304 CG ARG A 21 9.800 -7.753 -0.071 1.00 0.00 C ATOM 305 CD ARG A 21 11.089 -7.926 -0.877 1.00 0.00 C ATOM 306 NE ARG A 21 10.637 -8.321 -2.241 1.00 0.00 N ATOM 307 CZ ARG A 21 9.847 -7.534 -2.919 1.00 0.00 C ATOM 308 NH1 ARG A 21 10.033 -6.243 -2.897 1.00 0.00 N ATOM 309 NH2 ARG A 21 8.868 -8.041 -3.621 1.00 0.00 N ATOM 0 H ARG A 21 7.531 -7.303 0.972 1.00 0.00 H new ATOM 0 HA ARG A 21 9.957 -6.401 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.882 -5.819 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.553 -5.737 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.842 -8.355 0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.947 -8.108 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.665 -7.001 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.731 -8.689 -0.437 1.00 0.00 H new ATOM 0 HE ARG A 21 10.945 -9.206 -2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.797 -5.847 -2.349 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.415 -5.630 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.722 -9.050 -3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.250 -7.427 -4.151 1.00 0.00 H new ATOM 323 N PRO A 22 9.659 -3.928 2.410 1.00 0.00 N ATOM 324 CA PRO A 22 9.369 -2.517 2.736 1.00 0.00 C ATOM 325 C PRO A 22 9.012 -1.735 1.478 1.00 0.00 C ATOM 326 O PRO A 22 9.635 -1.866 0.444 1.00 0.00 O ATOM 327 CB PRO A 22 10.660 -2.015 3.355 1.00 0.00 C ATOM 328 CG PRO A 22 11.726 -2.925 2.823 1.00 0.00 C ATOM 329 CD PRO A 22 11.078 -4.254 2.553 1.00 0.00 C ATOM 0 HA PRO A 22 8.517 -2.400 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.853 -0.978 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.616 -2.053 4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.161 -2.516 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.537 -3.031 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.475 -4.716 1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.247 -4.955 3.371 1.00 0.00 H new ATOM 337 N LEU A 23 8.000 -0.928 1.570 1.00 0.00 N ATOM 338 CA LEU A 23 7.565 -0.127 0.396 1.00 0.00 C ATOM 339 C LEU A 23 7.570 1.365 0.726 1.00 0.00 C ATOM 340 O LEU A 23 7.025 1.786 1.727 1.00 0.00 O ATOM 341 CB LEU A 23 6.152 -0.611 0.104 1.00 0.00 C ATOM 342 CG LEU A 23 6.165 -1.413 -1.189 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.819 -2.119 -1.370 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.408 -0.465 -2.366 1.00 0.00 C ATOM 0 H LEU A 23 7.448 -0.786 2.416 1.00 0.00 H new ATOM 0 HA LEU A 23 8.229 -0.252 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.787 -1.226 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.473 0.237 0.015 1.00 0.00 H new ATOM 0 HG LEU A 23 6.959 -2.159 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.831 -2.693 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.645 -2.791 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.022 -1.377 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.418 -1.034 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.612 0.279 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.367 0.037 -2.237 1.00 0.00 H new ATOM 356 N PRO A 24 8.195 2.116 -0.138 1.00 0.00 N ATOM 357 CA PRO A 24 8.283 3.582 0.045 1.00 0.00 C ATOM 358 C PRO A 24 6.940 4.242 -0.276 1.00 0.00 C ATOM 359 O PRO A 24 5.963 3.580 -0.563 1.00 0.00 O ATOM 360 CB PRO A 24 9.348 4.006 -0.962 1.00 0.00 C ATOM 361 CG PRO A 24 9.331 2.945 -2.016 1.00 0.00 C ATOM 362 CD PRO A 24 8.871 1.669 -1.359 1.00 0.00 C ATOM 0 HA PRO A 24 8.529 3.871 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.123 4.985 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.329 4.079 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.660 3.222 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.323 2.818 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.196 1.109 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.711 1.013 -1.132 1.00 0.00 H new ATOM 370 N GLN A 25 6.889 5.542 -0.228 1.00 0.00 N ATOM 371 CA GLN A 25 5.621 6.256 -0.525 1.00 0.00 C ATOM 372 C GLN A 25 5.816 7.221 -1.695 1.00 0.00 C ATOM 373 O GLN A 25 4.955 7.369 -2.541 1.00 0.00 O ATOM 374 CB GLN A 25 5.299 7.022 0.756 1.00 0.00 C ATOM 375 CG GLN A 25 3.987 7.789 0.579 1.00 0.00 C ATOM 376 CD GLN A 25 4.264 9.293 0.631 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.448 10.056 1.107 1.00 0.00 O ATOM 378 NE2 GLN A 25 5.389 9.754 0.159 1.00 0.00 N ATOM 0 H GLN A 25 7.678 6.144 0.006 1.00 0.00 H new ATOM 0 HA GLN A 25 4.818 5.576 -0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.217 6.330 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.108 7.714 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.525 7.526 -0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.282 7.511 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.075 9.114 -0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.583 10.755 0.190 1.00 0.00 H new ATOM 387 N VAL A 26 6.942 7.877 -1.754 1.00 0.00 N ATOM 388 CA VAL A 26 7.195 8.828 -2.867 1.00 0.00 C ATOM 389 C VAL A 26 7.273 8.074 -4.197 1.00 0.00 C ATOM 390 O VAL A 26 7.323 8.666 -5.257 1.00 0.00 O ATOM 391 CB VAL A 26 8.535 9.471 -2.518 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.277 9.848 -3.797 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.292 10.730 -1.682 1.00 0.00 C ATOM 0 H VAL A 26 7.699 7.793 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 26 6.404 9.570 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 26 9.136 8.762 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.232 10.306 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.452 8.953 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.677 10.555 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.248 11.191 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.688 11.435 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.767 10.462 -0.765 1.00 0.00 H new ATOM 403 N LEU A 27 7.286 6.769 -4.148 1.00 0.00 N ATOM 404 CA LEU A 27 7.361 5.978 -5.408 1.00 0.00 C ATOM 405 C LEU A 27 5.961 5.533 -5.842 1.00 0.00 C ATOM 406 O LEU A 27 5.709 5.303 -7.008 1.00 0.00 O ATOM 407 CB LEU A 27 8.226 4.766 -5.063 1.00 0.00 C ATOM 408 CG LEU A 27 8.438 3.916 -6.316 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.623 4.467 -7.113 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.728 2.471 -5.909 1.00 0.00 C ATOM 0 H LEU A 27 7.248 6.218 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 27 7.778 6.556 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.187 5.093 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.745 4.173 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 27 7.539 3.948 -6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.774 3.861 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.418 5.497 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.522 4.436 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.879 1.865 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.627 2.440 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.885 2.077 -5.341 1.00 0.00 H new ATOM 422 N LEU A 28 5.051 5.406 -4.916 1.00 0.00 N ATOM 423 CA LEU A 28 3.676 4.972 -5.284 1.00 0.00 C ATOM 424 C LEU A 28 2.758 6.184 -5.450 1.00 0.00 C ATOM 425 O LEU A 28 3.092 7.285 -5.062 1.00 0.00 O ATOM 426 CB LEU A 28 3.209 4.113 -4.113 1.00 0.00 C ATOM 427 CG LEU A 28 4.261 3.045 -3.805 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.181 2.659 -2.327 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.998 1.809 -4.669 1.00 0.00 C ATOM 0 H LEU A 28 5.200 5.584 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 28 3.658 4.429 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.043 4.737 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.257 3.640 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 28 5.254 3.439 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.931 1.898 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.366 3.539 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.189 2.265 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.746 1.047 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.005 1.416 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.055 2.083 -5.723 1.00 0.00 H new ATOM 441 N SER A 29 1.604 5.990 -6.028 1.00 0.00 N ATOM 442 CA SER A 29 0.673 7.132 -6.221 1.00 0.00 C ATOM 443 C SER A 29 -0.335 7.216 -5.072 1.00 0.00 C ATOM 444 O SER A 29 -0.291 8.121 -4.262 1.00 0.00 O ATOM 445 CB SER A 29 -0.036 6.833 -7.538 1.00 0.00 C ATOM 446 OG SER A 29 -1.005 5.814 -7.332 1.00 0.00 O ATOM 0 H SER A 29 1.268 5.091 -6.374 1.00 0.00 H new ATOM 0 HA SER A 29 1.195 8.089 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.516 7.735 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.687 6.516 -8.289 1.00 0.00 H new ATOM 0 HG SER A 29 -0.564 4.939 -7.328 1.00 0.00 H new ATOM 452 N SER A 30 -1.248 6.290 -4.998 1.00 0.00 N ATOM 453 CA SER A 30 -2.263 6.333 -3.906 1.00 0.00 C ATOM 454 C SER A 30 -2.582 4.923 -3.399 1.00 0.00 C ATOM 455 O SER A 30 -1.834 3.989 -3.612 1.00 0.00 O ATOM 456 CB SER A 30 -3.499 6.961 -4.545 1.00 0.00 C ATOM 457 OG SER A 30 -3.801 6.276 -5.753 1.00 0.00 O ATOM 0 H SER A 30 -1.337 5.506 -5.644 1.00 0.00 H new ATOM 0 HA SER A 30 -1.908 6.898 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.345 6.905 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.322 8.017 -4.747 1.00 0.00 H new ATOM 0 HG SER A 30 -4.769 6.140 -5.819 1.00 0.00 H new ATOM 463 N TRP A 31 -3.692 4.769 -2.728 1.00 0.00 N ATOM 464 CA TRP A 31 -4.074 3.427 -2.199 1.00 0.00 C ATOM 465 C TRP A 31 -5.588 3.345 -2.026 1.00 0.00 C ATOM 466 O TRP A 31 -6.270 4.347 -1.953 1.00 0.00 O ATOM 467 CB TRP A 31 -3.403 3.330 -0.831 1.00 0.00 C ATOM 468 CG TRP A 31 -3.991 4.363 0.070 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.786 5.687 -0.055 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.875 4.189 1.215 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.474 6.346 0.947 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.165 5.465 1.755 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.445 3.062 1.834 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.990 5.618 2.869 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.277 3.214 2.956 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.549 4.488 3.472 1.00 0.00 C ATOM 0 H TRP A 31 -4.353 5.518 -2.523 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.770 2.625 -2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.548 2.335 -0.410 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.328 3.481 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.181 6.159 -0.815 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.471 7.358 1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.242 2.075 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.195 6.602 3.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.710 2.342 3.424 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.190 4.597 4.335 1.00 0.00 H new ATOM 487 N TYR A 32 -6.115 2.161 -1.932 1.00 0.00 N ATOM 488 CA TYR A 32 -7.584 2.017 -1.732 1.00 0.00 C ATOM 489 C TYR A 32 -7.865 0.772 -0.887 1.00 0.00 C ATOM 490 O TYR A 32 -7.304 -0.281 -1.118 1.00 0.00 O ATOM 491 CB TYR A 32 -8.188 1.924 -3.142 1.00 0.00 C ATOM 492 CG TYR A 32 -8.197 0.498 -3.636 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.034 -0.445 -3.036 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.378 0.128 -4.706 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.052 -1.764 -3.504 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.393 -1.191 -5.177 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.230 -2.138 -4.574 1.00 0.00 C ATOM 498 OH TYR A 32 -8.247 -3.438 -5.037 1.00 0.00 O ATOM 0 H TYR A 32 -5.595 1.285 -1.985 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.026 2.855 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.205 2.315 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.614 2.546 -3.829 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.668 -0.156 -2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.733 0.859 -5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.700 -2.493 -3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.760 -1.477 -6.004 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.619 -3.528 -5.784 1.00 0.00 H new ATOM 508 N PRO A 33 -8.711 0.952 0.093 1.00 0.00 N ATOM 509 CA PRO A 33 -9.061 -0.150 1.026 1.00 0.00 C ATOM 510 C PRO A 33 -9.813 -1.271 0.308 1.00 0.00 C ATOM 511 O PRO A 33 -10.359 -1.085 -0.760 1.00 0.00 O ATOM 512 CB PRO A 33 -9.942 0.531 2.068 1.00 0.00 C ATOM 513 CG PRO A 33 -10.496 1.721 1.364 1.00 0.00 C ATOM 514 CD PRO A 33 -9.425 2.188 0.418 1.00 0.00 C ATOM 0 HA PRO A 33 -8.184 -0.629 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.736 -0.132 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.366 0.822 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.407 1.464 0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.757 2.506 2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.848 2.656 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.768 2.923 0.883 1.00 0.00 H new ATOM 522 N THR A 34 -9.842 -2.439 0.887 1.00 0.00 N ATOM 523 CA THR A 34 -10.550 -3.577 0.232 1.00 0.00 C ATOM 524 C THR A 34 -11.833 -3.915 0.992 1.00 0.00 C ATOM 525 O THR A 34 -12.111 -3.367 2.040 1.00 0.00 O ATOM 526 CB THR A 34 -9.569 -4.751 0.298 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.739 -5.437 1.531 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.133 -4.235 0.194 1.00 0.00 C ATOM 0 H THR A 34 -9.407 -2.656 1.784 1.00 0.00 H new ATOM 0 HA THR A 34 -10.839 -3.342 -0.792 1.00 0.00 H new ATOM 0 HB THR A 34 -9.765 -5.432 -0.531 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.486 -6.066 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.440 -5.075 0.242 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.003 -3.710 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.931 -3.551 1.019 1.00 0.00 H new ATOM 536 N SER A 35 -12.620 -4.813 0.466 1.00 0.00 N ATOM 537 CA SER A 35 -13.892 -5.186 1.150 1.00 0.00 C ATOM 538 C SER A 35 -13.745 -6.541 1.848 1.00 0.00 C ATOM 539 O SER A 35 -12.887 -7.334 1.512 1.00 0.00 O ATOM 540 CB SER A 35 -14.928 -5.274 0.031 1.00 0.00 C ATOM 541 OG SER A 35 -16.207 -4.931 0.548 1.00 0.00 O ATOM 0 H SER A 35 -12.438 -5.305 -0.409 1.00 0.00 H new ATOM 0 HA SER A 35 -14.174 -4.464 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.659 -4.601 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.949 -6.282 -0.383 1.00 0.00 H new ATOM 0 HG SER A 35 -16.874 -4.985 -0.168 1.00 0.00 H new ATOM 547 N GLN A 36 -14.579 -6.813 2.812 1.00 0.00 N ATOM 548 CA GLN A 36 -14.493 -8.117 3.528 1.00 0.00 C ATOM 549 C GLN A 36 -14.901 -9.259 2.592 1.00 0.00 C ATOM 550 O GLN A 36 -14.773 -10.420 2.921 1.00 0.00 O ATOM 551 CB GLN A 36 -15.482 -7.997 4.689 1.00 0.00 C ATOM 552 CG GLN A 36 -15.321 -6.633 5.361 1.00 0.00 C ATOM 553 CD GLN A 36 -15.901 -6.689 6.776 1.00 0.00 C ATOM 554 OE1 GLN A 36 -16.991 -7.186 6.978 1.00 0.00 O ATOM 555 NE2 GLN A 36 -15.213 -6.198 7.771 1.00 0.00 N ATOM 0 H GLN A 36 -15.317 -6.188 3.136 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.482 -8.334 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.502 -8.116 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.307 -8.793 5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.267 -6.357 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.831 -5.866 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.298 -5.781 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.591 -6.232 8.718 1.00 0.00 H new ATOM 564 N LEU A 37 -15.392 -8.934 1.427 1.00 0.00 N ATOM 565 CA LEU A 37 -15.808 -9.999 0.470 1.00 0.00 C ATOM 566 C LEU A 37 -14.752 -11.104 0.415 1.00 0.00 C ATOM 567 O LEU A 37 -15.065 -12.277 0.361 1.00 0.00 O ATOM 568 CB LEU A 37 -15.920 -9.295 -0.883 1.00 0.00 C ATOM 569 CG LEU A 37 -17.387 -9.237 -1.308 1.00 0.00 C ATOM 570 CD1 LEU A 37 -17.751 -7.801 -1.691 1.00 0.00 C ATOM 571 CD2 LEU A 37 -17.603 -10.156 -2.514 1.00 0.00 C ATOM 0 H LEU A 37 -15.523 -7.978 1.097 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.746 -10.472 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.510 -8.287 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.334 -9.828 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.019 -9.564 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.797 -7.759 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.595 -7.145 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.120 -7.474 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.649 -10.116 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.972 -9.827 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.343 -11.179 -2.243 1.00 0.00 H new ATOM 583 N CYS A 38 -13.503 -10.736 0.428 1.00 0.00 N ATOM 584 CA CYS A 38 -12.421 -11.764 0.377 1.00 0.00 C ATOM 585 C CYS A 38 -12.212 -12.383 1.762 1.00 0.00 C ATOM 586 O CYS A 38 -12.982 -12.160 2.675 1.00 0.00 O ATOM 587 CB CYS A 38 -11.171 -11.004 -0.066 1.00 0.00 C ATOM 588 SG CYS A 38 -11.059 -11.030 -1.873 1.00 0.00 S ATOM 0 H CYS A 38 -13.181 -9.769 0.472 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.661 -12.582 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.212 -9.975 0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.282 -11.459 0.371 1.00 0.00 H new ATOM 593 N SER A 39 -11.177 -13.162 1.923 1.00 0.00 N ATOM 594 CA SER A 39 -10.921 -13.797 3.247 1.00 0.00 C ATOM 595 C SER A 39 -10.549 -12.733 4.282 1.00 0.00 C ATOM 596 O SER A 39 -11.030 -12.743 5.398 1.00 0.00 O ATOM 597 CB SER A 39 -9.749 -14.749 3.009 1.00 0.00 C ATOM 598 OG SER A 39 -9.540 -15.536 4.174 1.00 0.00 O ATOM 0 H SER A 39 -10.498 -13.386 1.195 1.00 0.00 H new ATOM 0 HA SER A 39 -11.798 -14.318 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.956 -15.392 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.848 -14.183 2.772 1.00 0.00 H new ATOM 0 HG SER A 39 -8.790 -16.149 4.025 1.00 0.00 H new ATOM 604 N LYS A 40 -9.698 -11.818 3.919 1.00 0.00 N ATOM 605 CA LYS A 40 -9.293 -10.751 4.879 1.00 0.00 C ATOM 606 C LYS A 40 -8.966 -9.458 4.125 1.00 0.00 C ATOM 607 O LYS A 40 -7.972 -9.379 3.431 1.00 0.00 O ATOM 608 CB LYS A 40 -8.047 -11.296 5.577 1.00 0.00 C ATOM 609 CG LYS A 40 -8.426 -11.816 6.966 1.00 0.00 C ATOM 610 CD LYS A 40 -7.757 -10.950 8.036 1.00 0.00 C ATOM 611 CE LYS A 40 -8.826 -10.167 8.802 1.00 0.00 C ATOM 612 NZ LYS A 40 -8.909 -8.848 8.112 1.00 0.00 N ATOM 0 H LYS A 40 -9.263 -11.761 2.998 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.085 -10.513 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.607 -12.098 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.294 -10.513 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.509 -11.795 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.113 -12.854 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.188 -11.577 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.050 -10.262 7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.785 -10.684 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.552 -10.047 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.794 -8.372 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.100 -8.258 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.891 -8.993 7.082 1.00 0.00 H new ATOM 626 N PRO A 41 -9.821 -8.486 4.289 1.00 0.00 N ATOM 627 CA PRO A 41 -9.632 -7.178 3.618 1.00 0.00 C ATOM 628 C PRO A 41 -8.474 -6.405 4.255 1.00 0.00 C ATOM 629 O PRO A 41 -8.071 -6.677 5.369 1.00 0.00 O ATOM 630 CB PRO A 41 -10.954 -6.459 3.848 1.00 0.00 C ATOM 631 CG PRO A 41 -11.518 -7.087 5.077 1.00 0.00 C ATOM 632 CD PRO A 41 -11.035 -8.513 5.108 1.00 0.00 C ATOM 0 HA PRO A 41 -9.384 -7.276 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.804 -5.388 3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.625 -6.581 2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.192 -6.551 5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.607 -7.050 5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.824 -8.842 6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.779 -9.197 4.699 1.00 0.00 H new ATOM 640 N GLY A 42 -7.938 -5.441 3.557 1.00 0.00 N ATOM 641 CA GLY A 42 -6.809 -4.649 4.122 1.00 0.00 C ATOM 642 C GLY A 42 -6.609 -3.384 3.288 1.00 0.00 C ATOM 643 O GLY A 42 -7.546 -2.829 2.752 1.00 0.00 O ATOM 0 H GLY A 42 -8.233 -5.168 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.018 -4.385 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.897 -5.245 4.123 1.00 0.00 H new ATOM 647 N VAL A 43 -5.393 -2.924 3.167 1.00 0.00 N ATOM 648 CA VAL A 43 -5.144 -1.698 2.358 1.00 0.00 C ATOM 649 C VAL A 43 -4.202 -2.018 1.202 1.00 0.00 C ATOM 650 O VAL A 43 -3.126 -2.547 1.395 1.00 0.00 O ATOM 651 CB VAL A 43 -4.494 -0.699 3.320 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.535 0.213 2.550 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.576 0.162 3.967 1.00 0.00 C ATOM 0 H VAL A 43 -4.565 -3.342 3.591 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.061 -1.299 1.925 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.946 -1.248 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.075 0.922 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.759 -0.390 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.087 0.758 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.114 0.873 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.120 0.704 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.267 -0.476 4.518 1.00 0.00 H new ATOM 663 N ILE A 44 -4.590 -1.692 0.006 1.00 0.00 N ATOM 664 CA ILE A 44 -3.704 -1.970 -1.152 1.00 0.00 C ATOM 665 C ILE A 44 -3.161 -0.652 -1.700 1.00 0.00 C ATOM 666 O ILE A 44 -3.847 0.350 -1.722 1.00 0.00 O ATOM 667 CB ILE A 44 -4.595 -2.664 -2.181 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.490 -1.628 -2.856 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.464 -3.707 -1.482 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.830 -1.162 -4.149 1.00 0.00 C ATOM 0 H ILE A 44 -5.479 -1.246 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.847 -2.590 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.973 -3.153 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.469 -2.058 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.652 -0.780 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.100 -4.202 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.826 -4.446 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.087 -3.218 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.465 -0.422 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.861 -0.717 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.691 -2.014 -4.814 1.00 0.00 H new ATOM 682 N PHE A 45 -1.932 -0.635 -2.125 1.00 0.00 N ATOM 683 CA PHE A 45 -1.351 0.626 -2.646 1.00 0.00 C ATOM 684 C PHE A 45 -1.147 0.544 -4.158 1.00 0.00 C ATOM 685 O PHE A 45 -0.693 -0.454 -4.681 1.00 0.00 O ATOM 686 CB PHE A 45 0.001 0.740 -1.947 1.00 0.00 C ATOM 687 CG PHE A 45 -0.201 1.019 -0.479 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.468 2.323 -0.043 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.116 -0.026 0.448 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.649 2.580 1.321 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.299 0.231 1.810 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.564 1.532 2.247 1.00 0.00 C ATOM 0 H PHE A 45 -1.306 -1.440 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.999 1.482 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.566 -0.183 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.588 1.539 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.534 3.129 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.091 -1.031 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.854 3.585 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.236 -0.576 2.525 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.703 1.730 3.300 1.00 0.00 H new ATOM 702 N LEU A 46 -1.461 1.594 -4.862 1.00 0.00 N ATOM 703 CA LEU A 46 -1.263 1.583 -6.336 1.00 0.00 C ATOM 704 C LEU A 46 -0.112 2.520 -6.696 1.00 0.00 C ATOM 705 O LEU A 46 -0.125 3.691 -6.368 1.00 0.00 O ATOM 706 CB LEU A 46 -2.576 2.092 -6.927 1.00 0.00 C ATOM 707 CG LEU A 46 -3.319 0.940 -7.604 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.348 0.146 -8.479 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.912 0.018 -6.535 1.00 0.00 C ATOM 0 H LEU A 46 -1.846 2.458 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.015 0.593 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.195 2.525 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.378 2.884 -7.649 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.120 1.342 -8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.880 -0.675 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.926 0.801 -9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.545 -0.255 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.442 -0.804 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.110 -0.382 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.606 0.582 -5.912 1.00 0.00 H new ATOM 721 N THR A 47 0.884 2.014 -7.361 1.00 0.00 N ATOM 722 CA THR A 47 2.042 2.874 -7.735 1.00 0.00 C ATOM 723 C THR A 47 1.573 4.045 -8.591 1.00 0.00 C ATOM 724 O THR A 47 0.450 4.492 -8.485 1.00 0.00 O ATOM 725 CB THR A 47 2.974 1.965 -8.541 1.00 0.00 C ATOM 726 OG1 THR A 47 2.409 1.729 -9.827 1.00 0.00 O ATOM 727 CG2 THR A 47 3.152 0.634 -7.808 1.00 0.00 C ATOM 0 H THR A 47 0.949 1.042 -7.663 1.00 0.00 H new ATOM 0 HA THR A 47 2.539 3.295 -6.861 1.00 0.00 H new ATOM 0 HB THR A 47 3.945 2.448 -8.653 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.070 1.286 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.816 -0.012 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.585 0.815 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.183 0.149 -7.694 1.00 0.00 H new ATOM 735 N LYS A 48 2.425 4.531 -9.445 1.00 0.00 N ATOM 736 CA LYS A 48 2.038 5.661 -10.333 1.00 0.00 C ATOM 737 C LYS A 48 2.037 5.166 -11.777 1.00 0.00 C ATOM 738 O LYS A 48 2.000 5.934 -12.718 1.00 0.00 O ATOM 739 CB LYS A 48 3.118 6.723 -10.123 1.00 0.00 C ATOM 740 CG LYS A 48 2.705 7.652 -8.980 1.00 0.00 C ATOM 741 CD LYS A 48 3.576 8.909 -9.004 1.00 0.00 C ATOM 742 CE LYS A 48 2.690 10.143 -9.198 1.00 0.00 C ATOM 743 NZ LYS A 48 2.561 10.295 -10.675 1.00 0.00 N ATOM 0 H LYS A 48 3.379 4.193 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 48 1.047 6.060 -10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.071 6.247 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.261 7.297 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.654 7.923 -9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.813 7.140 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.136 8.994 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.306 8.843 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.716 10.007 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.141 11.028 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.967 11.121 -10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.503 10.429 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.123 9.441 -11.075 1.00 0.00 H new ATOM 757 N ARG A 49 2.086 3.872 -11.949 1.00 0.00 N ATOM 758 CA ARG A 49 2.100 3.286 -13.316 1.00 0.00 C ATOM 759 C ARG A 49 0.936 2.307 -13.485 1.00 0.00 C ATOM 760 O ARG A 49 -0.077 2.625 -14.073 1.00 0.00 O ATOM 761 CB ARG A 49 3.437 2.551 -13.399 1.00 0.00 C ATOM 762 CG ARG A 49 4.508 3.496 -13.946 1.00 0.00 C ATOM 763 CD ARG A 49 5.345 4.044 -12.789 1.00 0.00 C ATOM 764 NE ARG A 49 6.251 5.048 -13.411 1.00 0.00 N ATOM 765 CZ ARG A 49 7.536 4.825 -13.464 1.00 0.00 C ATOM 766 NH1 ARG A 49 8.275 5.018 -12.406 1.00 0.00 N ATOM 767 NH2 ARG A 49 8.080 4.411 -14.575 1.00 0.00 N ATOM 0 H ARG A 49 2.117 3.191 -11.191 1.00 0.00 H new ATOM 0 HA ARG A 49 1.991 4.039 -14.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.726 2.189 -12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.344 1.678 -14.044 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.148 2.967 -14.653 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.040 4.316 -14.491 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.714 4.501 -12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.911 3.251 -12.301 1.00 0.00 H new ATOM 0 HE ARG A 49 5.867 5.911 -13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.848 5.343 -11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.279 4.844 -12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.501 4.262 -15.402 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.084 4.237 -14.617 1.00 0.00 H new ATOM 781 N GLY A 50 1.079 1.116 -12.974 1.00 0.00 N ATOM 782 CA GLY A 50 -0.016 0.112 -13.103 1.00 0.00 C ATOM 783 C GLY A 50 0.258 -1.071 -12.171 1.00 0.00 C ATOM 784 O GLY A 50 -0.182 -2.177 -12.411 1.00 0.00 O ATOM 0 H GLY A 50 1.907 0.794 -12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.973 0.570 -12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.086 -0.234 -14.134 1.00 0.00 H new ATOM 788 N ARG A 51 0.981 -0.847 -11.108 1.00 0.00 N ATOM 789 CA ARG A 51 1.280 -1.959 -10.160 1.00 0.00 C ATOM 790 C ARG A 51 0.522 -1.746 -8.846 1.00 0.00 C ATOM 791 O ARG A 51 0.493 -0.659 -8.307 1.00 0.00 O ATOM 792 CB ARG A 51 2.789 -1.888 -9.927 1.00 0.00 C ATOM 793 CG ARG A 51 3.478 -3.024 -10.687 1.00 0.00 C ATOM 794 CD ARG A 51 4.745 -2.493 -11.361 1.00 0.00 C ATOM 795 NE ARG A 51 4.262 -1.509 -12.369 1.00 0.00 N ATOM 796 CZ ARG A 51 4.609 -1.634 -13.622 1.00 0.00 C ATOM 797 NH1 ARG A 51 5.870 -1.740 -13.942 1.00 0.00 N ATOM 798 NH2 ARG A 51 3.695 -1.653 -14.554 1.00 0.00 N ATOM 0 H ARG A 51 1.378 0.058 -10.854 1.00 0.00 H new ATOM 0 HA ARG A 51 0.976 -2.930 -10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.174 -0.925 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.007 -1.964 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.730 -3.834 -10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.802 -3.438 -11.435 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.410 -2.022 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.308 -3.298 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 51 3.660 -0.737 -12.081 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.584 -1.725 -13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.141 -1.838 -14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.710 -1.570 -14.304 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.966 -1.751 -15.532 1.00 0.00 H new ATOM 812 N GLN A 52 -0.099 -2.773 -8.332 1.00 0.00 N ATOM 813 CA GLN A 52 -0.860 -2.623 -7.064 1.00 0.00 C ATOM 814 C GLN A 52 -0.147 -3.354 -5.923 1.00 0.00 C ATOM 815 O GLN A 52 0.618 -4.272 -6.140 1.00 0.00 O ATOM 816 CB GLN A 52 -2.215 -3.272 -7.344 1.00 0.00 C ATOM 817 CG GLN A 52 -2.589 -3.094 -8.819 1.00 0.00 C ATOM 818 CD GLN A 52 -2.341 -4.403 -9.570 1.00 0.00 C ATOM 819 OE1 GLN A 52 -1.478 -4.474 -10.422 1.00 0.00 O ATOM 820 NE2 GLN A 52 -3.067 -5.450 -9.288 1.00 0.00 N ATOM 0 H GLN A 52 -0.111 -3.709 -8.737 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.955 -1.580 -6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.177 -4.333 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.980 -2.823 -6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.636 -2.805 -8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.998 -2.291 -9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.792 -5.390 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.910 -6.328 -9.783 1.00 0.00 H new ATOM 829 N VAL A 53 -0.395 -2.951 -4.707 1.00 0.00 N ATOM 830 CA VAL A 53 0.257 -3.611 -3.546 1.00 0.00 C ATOM 831 C VAL A 53 -0.770 -3.828 -2.430 1.00 0.00 C ATOM 832 O VAL A 53 -1.783 -3.164 -2.377 1.00 0.00 O ATOM 833 CB VAL A 53 1.342 -2.626 -3.104 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.562 -2.750 -1.600 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.646 -2.943 -3.838 1.00 0.00 C ATOM 0 H VAL A 53 -1.027 -2.187 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 53 0.671 -4.589 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 53 1.028 -1.610 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.335 -2.048 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.633 -2.525 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.876 -3.766 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.420 -2.242 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.959 -3.960 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.490 -2.853 -4.913 1.00 0.00 H new ATOM 845 N CYS A 54 -0.520 -4.755 -1.542 1.00 0.00 N ATOM 846 CA CYS A 54 -1.486 -5.009 -0.438 1.00 0.00 C ATOM 847 C CYS A 54 -0.744 -5.116 0.895 1.00 0.00 C ATOM 848 O CYS A 54 0.071 -5.995 1.085 1.00 0.00 O ATOM 849 CB CYS A 54 -2.123 -6.347 -0.792 1.00 0.00 C ATOM 850 SG CYS A 54 -3.897 -6.283 -0.450 1.00 0.00 S ATOM 0 H CYS A 54 0.312 -5.346 -1.536 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.221 -4.211 -0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.953 -6.575 -1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.659 -7.146 -0.214 1.00 0.00 H new ATOM 855 N ALA A 55 -1.014 -4.238 1.823 1.00 0.00 N ATOM 856 CA ALA A 55 -0.310 -4.317 3.132 1.00 0.00 C ATOM 857 C ALA A 55 -1.285 -4.055 4.281 1.00 0.00 C ATOM 858 O ALA A 55 -2.353 -3.503 4.094 1.00 0.00 O ATOM 859 CB ALA A 55 0.756 -3.225 3.071 1.00 0.00 C ATOM 0 H ALA A 55 -1.686 -3.476 1.732 1.00 0.00 H new ATOM 0 HA ALA A 55 0.122 -5.302 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.322 -3.217 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.431 -3.422 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.277 -2.256 2.929 1.00 0.00 H new ATOM 865 N ASP A 56 -0.922 -4.446 5.472 1.00 0.00 N ATOM 866 CA ASP A 56 -1.820 -4.219 6.638 1.00 0.00 C ATOM 867 C ASP A 56 -1.660 -2.783 7.141 1.00 0.00 C ATOM 868 O ASP A 56 -0.568 -2.336 7.428 1.00 0.00 O ATOM 869 CB ASP A 56 -1.351 -5.217 7.699 1.00 0.00 C ATOM 870 CG ASP A 56 -2.310 -5.186 8.889 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.153 -4.304 8.924 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.186 -6.045 9.747 1.00 0.00 O ATOM 0 H ASP A 56 -0.041 -4.913 5.687 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.872 -4.358 6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.311 -6.221 7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.341 -4.969 8.026 1.00 0.00 H new ATOM 877 N LYS A 57 -2.737 -2.057 7.246 1.00 0.00 N ATOM 878 CA LYS A 57 -2.638 -0.649 7.725 1.00 0.00 C ATOM 879 C LYS A 57 -1.935 -0.598 9.084 1.00 0.00 C ATOM 880 O LYS A 57 -1.495 0.446 9.526 1.00 0.00 O ATOM 881 CB LYS A 57 -4.084 -0.171 7.851 1.00 0.00 C ATOM 882 CG LYS A 57 -4.122 1.358 7.801 1.00 0.00 C ATOM 883 CD LYS A 57 -5.483 1.816 7.275 1.00 0.00 C ATOM 884 CE LYS A 57 -6.467 1.939 8.441 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.526 0.930 8.158 1.00 0.00 N ATOM 0 H LYS A 57 -3.680 -2.376 7.022 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.059 -0.023 7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.687 -0.587 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.515 -0.526 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.947 1.770 8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.326 1.732 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.384 2.775 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.860 1.103 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.977 1.740 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.885 2.944 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.239 0.954 8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.979 1.149 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.100 -0.018 8.114 1.00 0.00 H new ATOM 899 N SER A 58 -1.825 -1.713 9.752 1.00 0.00 N ATOM 900 CA SER A 58 -1.151 -1.722 11.081 1.00 0.00 C ATOM 901 C SER A 58 0.362 -1.577 10.911 1.00 0.00 C ATOM 902 O SER A 58 1.107 -1.573 11.871 1.00 0.00 O ATOM 903 CB SER A 58 -1.497 -3.079 11.689 1.00 0.00 C ATOM 904 OG SER A 58 -0.956 -4.110 10.872 1.00 0.00 O ATOM 0 H SER A 58 -2.173 -2.618 9.435 1.00 0.00 H new ATOM 0 HA SER A 58 -1.476 -0.897 11.714 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.095 -3.151 12.700 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.578 -3.191 11.767 1.00 0.00 H new ATOM 0 HG SER A 58 -0.887 -4.937 11.393 1.00 0.00 H new ATOM 910 N LYS A 59 0.821 -1.457 9.697 1.00 0.00 N ATOM 911 CA LYS A 59 2.286 -1.310 9.465 1.00 0.00 C ATOM 912 C LYS A 59 2.686 0.162 9.541 1.00 0.00 C ATOM 913 O LYS A 59 2.175 0.995 8.823 1.00 0.00 O ATOM 914 CB LYS A 59 2.515 -1.858 8.059 1.00 0.00 C ATOM 915 CG LYS A 59 3.036 -3.294 8.148 1.00 0.00 C ATOM 916 CD LYS A 59 4.406 -3.299 8.829 1.00 0.00 C ATOM 917 CE LYS A 59 5.313 -4.322 8.144 1.00 0.00 C ATOM 918 NZ LYS A 59 4.907 -5.637 8.713 1.00 0.00 N ATOM 0 H LYS A 59 0.246 -1.454 8.855 1.00 0.00 H new ATOM 0 HA LYS A 59 2.881 -1.837 10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.585 -1.832 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.231 -1.233 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.336 -3.912 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.112 -3.727 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.854 -2.307 8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.298 -3.543 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.183 -4.303 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.364 -4.113 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.486 -6.391 8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.048 -5.628 9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.904 -5.811 8.502 1.00 0.00 H new ATOM 932 N ASP A 60 3.598 0.482 10.412 1.00 0.00 N ATOM 933 CA ASP A 60 4.039 1.896 10.546 1.00 0.00 C ATOM 934 C ASP A 60 4.320 2.502 9.168 1.00 0.00 C ATOM 935 O ASP A 60 3.748 3.508 8.795 1.00 0.00 O ATOM 936 CB ASP A 60 5.323 1.824 11.372 1.00 0.00 C ATOM 937 CG ASP A 60 4.980 1.929 12.859 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.020 2.610 13.179 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.683 1.327 13.652 1.00 0.00 O ATOM 0 H ASP A 60 4.059 -0.177 11.039 1.00 0.00 H new ATOM 0 HA ASP A 60 3.281 2.524 11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.844 0.887 11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.998 2.631 11.086 1.00 0.00 H new ATOM 944 N TRP A 61 5.194 1.901 8.408 1.00 0.00 N ATOM 945 CA TRP A 61 5.506 2.451 7.058 1.00 0.00 C ATOM 946 C TRP A 61 4.224 2.589 6.236 1.00 0.00 C ATOM 947 O TRP A 61 4.033 3.550 5.515 1.00 0.00 O ATOM 948 CB TRP A 61 6.459 1.436 6.423 1.00 0.00 C ATOM 949 CG TRP A 61 5.706 0.231 5.956 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.410 -0.837 6.724 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.165 -0.055 4.634 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.731 -1.768 5.957 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.553 -1.329 4.661 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.146 0.661 3.426 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.950 -1.875 3.526 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.536 0.115 2.285 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.940 -1.153 2.335 1.00 0.00 C ATOM 0 H TRP A 61 5.704 1.055 8.662 1.00 0.00 H new ATOM 0 HA TRP A 61 5.954 3.444 7.107 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.981 1.894 5.583 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.219 1.140 7.146 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.662 -0.948 7.768 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.403 -2.668 6.307 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.604 1.638 3.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.493 -2.853 3.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.526 0.676 1.362 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.475 -1.568 1.453 1.00 0.00 H new ATOM 968 N VAL A 62 3.337 1.642 6.347 1.00 0.00 N ATOM 969 CA VAL A 62 2.068 1.719 5.585 1.00 0.00 C ATOM 970 C VAL A 62 1.222 2.891 6.092 1.00 0.00 C ATOM 971 O VAL A 62 0.861 3.775 5.342 1.00 0.00 O ATOM 972 CB VAL A 62 1.382 0.385 5.864 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.127 0.571 5.834 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.780 -0.627 4.792 1.00 0.00 C ATOM 0 H VAL A 62 3.439 0.816 6.936 1.00 0.00 H new ATOM 0 HA VAL A 62 2.219 1.886 4.519 1.00 0.00 H new ATOM 0 HB VAL A 62 1.688 0.023 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.615 -0.383 6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.420 1.295 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.429 0.935 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.290 -1.580 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.474 -0.259 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.861 -0.765 4.806 1.00 0.00 H new ATOM 984 N LYS A 63 0.905 2.911 7.357 1.00 0.00 N ATOM 985 CA LYS A 63 0.093 4.027 7.896 1.00 0.00 C ATOM 986 C LYS A 63 0.570 5.347 7.293 1.00 0.00 C ATOM 987 O LYS A 63 -0.210 6.124 6.783 1.00 0.00 O ATOM 988 CB LYS A 63 0.344 3.983 9.401 1.00 0.00 C ATOM 989 CG LYS A 63 -0.892 4.490 10.134 1.00 0.00 C ATOM 990 CD LYS A 63 -0.540 4.778 11.595 1.00 0.00 C ATOM 991 CE LYS A 63 -1.666 5.587 12.244 1.00 0.00 C ATOM 992 NZ LYS A 63 -2.799 4.630 12.378 1.00 0.00 N ATOM 0 H LYS A 63 1.175 2.201 8.037 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.968 3.942 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.573 2.964 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.208 4.596 9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.266 5.394 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.689 3.748 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.392 3.843 12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.398 5.331 11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.362 5.978 13.215 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.943 6.443 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.523 5.035 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.214 4.450 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.453 3.736 12.781 1.00 0.00 H new ATOM 1006 N LYS A 64 1.850 5.599 7.325 1.00 0.00 N ATOM 1007 CA LYS A 64 2.359 6.861 6.726 1.00 0.00 C ATOM 1008 C LYS A 64 1.915 6.924 5.264 1.00 0.00 C ATOM 1009 O LYS A 64 1.539 7.964 4.761 1.00 0.00 O ATOM 1010 CB LYS A 64 3.885 6.771 6.832 1.00 0.00 C ATOM 1011 CG LYS A 64 4.529 7.573 5.697 1.00 0.00 C ATOM 1012 CD LYS A 64 5.752 8.324 6.229 1.00 0.00 C ATOM 1013 CE LYS A 64 6.303 9.240 5.135 1.00 0.00 C ATOM 1014 NZ LYS A 64 7.536 9.838 5.718 1.00 0.00 N ATOM 0 H LYS A 64 2.558 4.991 7.736 1.00 0.00 H new ATOM 0 HA LYS A 64 1.984 7.755 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.216 7.157 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.202 5.729 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.824 6.905 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.809 8.278 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.479 8.911 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.518 7.616 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.527 8.680 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.581 10.010 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.972 10.480 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.291 10.371 6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.208 9.082 5.960 1.00 0.00 H new ATOM 1028 N LEU A 65 1.946 5.810 4.584 1.00 0.00 N ATOM 1029 CA LEU A 65 1.514 5.796 3.160 1.00 0.00 C ATOM 1030 C LEU A 65 0.040 6.183 3.062 1.00 0.00 C ATOM 1031 O LEU A 65 -0.317 7.141 2.413 1.00 0.00 O ATOM 1032 CB LEU A 65 1.720 4.354 2.691 1.00 0.00 C ATOM 1033 CG LEU A 65 3.169 4.163 2.248 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.590 2.718 2.503 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.290 4.463 0.754 1.00 0.00 C ATOM 0 H LEU A 65 2.252 4.910 4.954 1.00 0.00 H new ATOM 0 HA LEU A 65 2.076 6.503 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.481 3.661 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.044 4.129 1.866 1.00 0.00 H new ATOM 0 HG LEU A 65 3.812 4.840 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.624 2.579 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.502 2.496 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.945 2.046 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.324 4.327 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.647 3.785 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.985 5.492 0.564 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.820 5.443 3.700 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.273 5.769 3.640 1.00 0.00 C HETATM 1049 C MSE A 66 -2.519 7.187 4.166 1.00 0.00 C HETATM 1050 O MSE A 66 -3.520 7.806 3.865 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.948 4.728 4.538 1.00 0.00 C HETATM 1052 CG MSE A 66 -3.054 5.263 5.970 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.706 6.497 5.927 1.00 0.00 SE HETATM 1054 CE MSE A 66 -5.864 5.430 7.260 1.00 0.00 C HETATM 0 H MSE A 66 -0.581 4.626 4.261 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.665 5.741 2.623 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -3.941 4.493 4.154 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -2.375 3.801 4.529 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -3.180 4.454 6.689 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.156 5.809 6.259 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -6.824 5.929 7.389 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -6.027 4.423 6.875 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -5.353 5.373 8.221 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.613 7.704 4.951 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.799 9.080 5.496 1.00 0.00 C ATOM 1066 C GLN A 67 -1.489 10.128 4.423 1.00 0.00 C ATOM 1067 O GLN A 67 -2.180 11.120 4.295 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.800 9.186 6.650 1.00 0.00 C ATOM 1069 CG GLN A 67 -1.397 10.047 7.765 1.00 0.00 C ATOM 1070 CD GLN A 67 -0.272 10.769 8.509 1.00 0.00 C ATOM 1071 OE1 GLN A 67 0.815 10.923 7.989 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -0.489 11.223 9.713 1.00 0.00 N ATOM 0 H GLN A 67 -0.754 7.235 5.238 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.824 9.257 5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.562 8.193 7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.134 9.625 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.094 10.772 7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.964 9.424 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.402 11.094 10.150 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.254 11.707 10.217 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.453 9.923 3.655 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.103 10.916 2.598 1.00 0.00 C ATOM 1083 C GLN A 68 -0.804 10.567 1.282 1.00 0.00 C ATOM 1084 O GLN A 68 -1.120 11.428 0.486 1.00 0.00 O ATOM 1085 CB GLN A 68 1.413 10.798 2.441 1.00 0.00 C ATOM 1086 CG GLN A 68 2.105 11.669 3.489 1.00 0.00 C ATOM 1087 CD GLN A 68 2.675 12.920 2.819 1.00 0.00 C ATOM 1088 OE1 GLN A 68 3.812 13.283 3.051 1.00 0.00 O ATOM 1089 NE2 GLN A 68 1.931 13.599 1.990 1.00 0.00 N ATOM 0 H GLN A 68 0.165 9.113 3.713 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.415 11.927 2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.721 9.759 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.711 11.110 1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.396 11.952 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.904 11.107 3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.977 13.295 1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.303 14.434 1.537 1.00 0.00 H new ATOM 1098 N LEU A 69 -1.042 9.308 1.049 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.714 8.888 -0.211 1.00 0.00 C ATOM 1100 C LEU A 69 -3.234 9.019 -0.074 1.00 0.00 C ATOM 1101 O LEU A 69 -3.775 8.895 1.007 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.329 7.419 -0.397 1.00 0.00 C ATOM 1103 CG LEU A 69 0.160 7.214 -0.118 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.396 5.771 0.324 1.00 0.00 C ATOM 1105 CD2 LEU A 69 0.961 7.477 -1.391 1.00 0.00 C ATOM 0 H LEU A 69 -0.798 8.546 1.682 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.413 9.504 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.920 6.795 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.561 7.102 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 69 0.478 7.902 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.457 5.621 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.176 5.570 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.076 5.092 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.022 7.330 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.641 6.787 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.793 8.502 -1.722 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.867 9.262 -1.186 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.338 9.409 -1.215 1.00 0.00 C ATOM 1119 C PRO A 70 -6.010 8.031 -1.275 1.00 0.00 C ATOM 1120 O PRO A 70 -5.723 7.229 -2.141 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.586 10.193 -2.499 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.409 9.905 -3.383 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.272 9.425 -2.513 1.00 0.00 C ATOM 0 HA PRO A 70 -5.742 9.904 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.517 9.883 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.671 11.260 -2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.666 9.148 -4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.117 10.801 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.860 8.485 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.455 10.146 -2.495 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.899 7.751 -0.360 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.584 6.425 -0.366 1.00 0.00 C ATOM 1133 C VAL A 71 -8.417 6.258 -1.640 1.00 0.00 C ATOM 1134 O VAL A 71 -9.629 6.340 -1.614 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.492 6.435 0.863 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.239 7.767 0.933 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.502 5.291 0.757 1.00 0.00 C ATOM 0 H VAL A 71 -7.181 8.382 0.390 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.871 5.601 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.889 6.308 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.887 7.775 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.521 8.584 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.843 7.893 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.151 5.296 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.105 5.420 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.971 4.341 0.705 1.00 0.00 H new ATOM 1147 N THR A 72 -7.778 6.018 -2.751 1.00 0.00 N ATOM 1148 CA THR A 72 -8.537 5.839 -4.023 1.00 0.00 C ATOM 1149 C THR A 72 -9.768 4.961 -3.780 1.00 0.00 C ATOM 1150 O THR A 72 -9.894 4.324 -2.753 1.00 0.00 O ATOM 1151 CB THR A 72 -7.562 5.144 -4.975 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.313 5.821 -4.946 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.127 5.171 -6.396 1.00 0.00 C ATOM 0 H THR A 72 -6.765 5.938 -2.835 1.00 0.00 H new ATOM 0 HA THR A 72 -8.894 6.786 -4.429 1.00 0.00 H new ATOM 0 HB THR A 72 -7.423 4.109 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.666 5.293 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.432 4.676 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.085 4.652 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.267 6.205 -6.712 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.677 4.921 -4.716 1.00 0.00 N ATOM 1162 CA ALA A 73 -11.898 4.083 -4.536 1.00 0.00 C ATOM 1163 C ALA A 73 -12.932 4.415 -5.614 1.00 0.00 C ATOM 1164 O ALA A 73 -12.620 5.013 -6.624 1.00 0.00 O ATOM 1165 CB ALA A 73 -12.432 4.451 -3.151 1.00 0.00 C ATOM 0 H ALA A 73 -10.627 5.432 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.682 3.018 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.333 3.874 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.676 4.227 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.667 5.515 -3.123 1.00 0.00 H new ATOM 1171 N ARG A 74 -14.162 4.031 -5.408 1.00 0.00 N ATOM 1172 CA ARG A 74 -15.216 4.324 -6.421 1.00 0.00 C ATOM 1173 C ARG A 74 -16.157 5.415 -5.903 1.00 0.00 C ATOM 1174 CB ARG A 74 -15.969 3.006 -6.600 1.00 0.00 C ATOM 1175 CG ARG A 74 -16.701 2.655 -5.302 1.00 0.00 C ATOM 1176 CD ARG A 74 -16.668 1.141 -5.089 1.00 0.00 C ATOM 1177 NE ARG A 74 -17.439 0.912 -3.836 1.00 0.00 N ATOM 1178 CZ ARG A 74 -18.106 -0.198 -3.674 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -17.481 -1.343 -3.677 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -19.401 -0.162 -3.509 1.00 0.00 N ATOM 0 H ARG A 74 -14.483 3.527 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.798 4.685 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.682 3.091 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.273 2.210 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.231 3.162 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.733 3.004 -5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.117 0.614 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.645 0.778 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.446 1.623 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -16.470 -1.372 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.004 -2.210 -3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.890 0.733 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.923 -1.029 -3.382 1.00 0.00 H new TER 1194 ARG A 74