USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 565 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 NoAdj-H: A 37 HIS HE2 : A 37 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 41 HIS HE2 : A 41 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0293 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -23:sc= 0.375 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 8:sc= 0.217 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.959 K(o=-0.96,f=-2.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -111:sc= 0.964 (180deg=-0.0306) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= -0.747 (180deg=-2.72!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0517 K(o=-0.052,f=-2.4) USER MOD Single : A 31 SER OG : rot 180:sc= -0.185 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= -0.0726 (180deg=-1.18) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -82:sc= 1.04 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= -0.0067 (180deg=-1.08) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.71) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -5.21! C(o=-6.7!,f=-5.2!) USER MOD Single : A 66 HIS : no HE2:sc= -0.336 K(o=-0.34,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 72 SER OG : rot 13:sc= 0.0896! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.594 31.953 -15.872 1.00 0.00 N ATOM 2 CA GLY A 1 -14.980 31.257 -14.756 1.00 0.00 C ATOM 3 C GLY A 1 -14.836 32.138 -13.531 1.00 0.00 C ATOM 4 O GLY A 1 -14.668 33.352 -13.648 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.085 31.720 -16.749 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.588 31.659 -15.960 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.550 32.979 -15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.580 30.383 -14.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.997 30.893 -15.055 1.00 0.00 H new ATOM 8 N SER A 2 -14.902 31.527 -12.353 1.00 0.00 N ATOM 9 CA SER A 2 -14.783 32.265 -11.101 1.00 0.00 C ATOM 10 C SER A 2 -14.673 31.310 -9.916 1.00 0.00 C ATOM 11 O SER A 2 -15.382 30.306 -9.846 1.00 0.00 O ATOM 12 CB SER A 2 -15.986 33.191 -10.914 1.00 0.00 C ATOM 13 OG SER A 2 -15.664 34.281 -10.068 1.00 0.00 O ATOM 0 H SER A 2 -15.037 30.522 -12.239 1.00 0.00 H new ATOM 0 HA SER A 2 -13.875 32.866 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.316 33.564 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.818 32.630 -10.489 1.00 0.00 H new ATOM 0 HG SER A 2 -16.449 34.859 -9.966 1.00 0.00 H new ATOM 19 N SER A 3 -13.779 31.631 -8.986 1.00 0.00 N ATOM 20 CA SER A 3 -13.572 30.801 -7.805 1.00 0.00 C ATOM 21 C SER A 3 -12.913 31.602 -6.687 1.00 0.00 C ATOM 22 O SER A 3 -12.218 32.586 -6.939 1.00 0.00 O ATOM 23 CB SER A 3 -12.710 29.586 -8.154 1.00 0.00 C ATOM 24 OG SER A 3 -12.549 28.736 -7.032 1.00 0.00 O ATOM 0 H SER A 3 -13.186 32.460 -9.028 1.00 0.00 H new ATOM 0 HA SER A 3 -14.546 30.458 -7.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.171 29.031 -8.971 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.733 29.918 -8.506 1.00 0.00 H new ATOM 0 HG SER A 3 -11.996 27.966 -7.281 1.00 0.00 H new ATOM 30 N GLY A 4 -13.137 31.173 -5.448 1.00 0.00 N ATOM 31 CA GLY A 4 -12.559 31.861 -4.309 1.00 0.00 C ATOM 32 C GLY A 4 -13.154 31.403 -2.992 1.00 0.00 C ATOM 33 O GLY A 4 -14.347 31.111 -2.910 1.00 0.00 O ATOM 0 H GLY A 4 -13.708 30.361 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.482 31.693 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.713 32.934 -4.420 1.00 0.00 H new ATOM 37 N SER A 5 -12.320 31.338 -1.959 1.00 0.00 N ATOM 38 CA SER A 5 -12.770 30.906 -0.640 1.00 0.00 C ATOM 39 C SER A 5 -11.812 31.389 0.445 1.00 0.00 C ATOM 40 O SER A 5 -10.690 31.805 0.158 1.00 0.00 O ATOM 41 CB SER A 5 -12.887 29.382 -0.592 1.00 0.00 C ATOM 42 OG SER A 5 -13.683 28.897 -1.659 1.00 0.00 O ATOM 0 H SER A 5 -11.330 31.579 -2.009 1.00 0.00 H new ATOM 0 HA SER A 5 -13.751 31.344 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.894 28.936 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.324 29.078 0.359 1.00 0.00 H new ATOM 0 HG SER A 5 -14.278 29.609 -1.973 1.00 0.00 H new ATOM 48 N SER A 6 -12.265 31.330 1.693 1.00 0.00 N ATOM 49 CA SER A 6 -11.451 31.764 2.823 1.00 0.00 C ATOM 50 C SER A 6 -12.027 31.248 4.138 1.00 0.00 C ATOM 51 O SER A 6 -13.233 31.319 4.370 1.00 0.00 O ATOM 52 CB SER A 6 -11.361 33.291 2.856 1.00 0.00 C ATOM 53 OG SER A 6 -10.206 33.719 3.558 1.00 0.00 O ATOM 0 H SER A 6 -13.191 30.986 1.948 1.00 0.00 H new ATOM 0 HA SER A 6 -10.450 31.350 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.336 33.679 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.252 33.701 3.332 1.00 0.00 H new ATOM 0 HG SER A 6 -10.171 34.698 3.563 1.00 0.00 H new ATOM 59 N GLY A 7 -11.154 30.729 4.996 1.00 0.00 N ATOM 60 CA GLY A 7 -11.593 30.208 6.277 1.00 0.00 C ATOM 61 C GLY A 7 -10.434 29.839 7.181 1.00 0.00 C ATOM 62 O GLY A 7 -9.613 28.990 6.834 1.00 0.00 O ATOM 0 H GLY A 7 -10.151 30.660 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.215 30.952 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.217 29.329 6.114 1.00 0.00 H new ATOM 66 N ARG A 8 -10.365 30.479 8.344 1.00 0.00 N ATOM 67 CA ARG A 8 -9.296 30.214 9.300 1.00 0.00 C ATOM 68 C ARG A 8 -9.459 28.834 9.930 1.00 0.00 C ATOM 69 O ARG A 8 -10.235 28.657 10.868 1.00 0.00 O ATOM 70 CB ARG A 8 -9.282 31.286 10.391 1.00 0.00 C ATOM 71 CG ARG A 8 -8.330 30.978 11.535 1.00 0.00 C ATOM 72 CD ARG A 8 -8.696 31.757 12.789 1.00 0.00 C ATOM 73 NE ARG A 8 -8.096 33.088 12.801 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.448 34.045 13.653 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.392 33.819 14.556 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.856 35.231 13.601 1.00 0.00 N ATOM 0 H ARG A 8 -11.036 31.185 8.647 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.348 30.239 8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.005 32.242 9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.290 31.400 10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.351 29.910 11.750 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.310 31.223 11.238 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.780 31.848 12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.367 31.203 13.669 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.367 33.294 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.850 32.909 14.598 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.660 34.555 15.209 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.130 35.409 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.127 35.965 14.255 1.00 0.00 H new ATOM 90 N SER A 9 -8.721 27.860 9.406 1.00 0.00 N ATOM 91 CA SER A 9 -8.786 26.495 9.914 1.00 0.00 C ATOM 92 C SER A 9 -7.437 25.798 9.774 1.00 0.00 C ATOM 93 O SER A 9 -6.555 26.269 9.056 1.00 0.00 O ATOM 94 CB SER A 9 -9.863 25.702 9.170 1.00 0.00 C ATOM 95 OG SER A 9 -11.161 26.091 9.585 1.00 0.00 O ATOM 0 H SER A 9 -8.072 27.991 8.630 1.00 0.00 H new ATOM 0 HA SER A 9 -9.044 26.540 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.759 25.860 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.724 24.636 9.351 1.00 0.00 H new ATOM 0 HG SER A 9 -11.096 26.870 10.176 1.00 0.00 H new ATOM 101 N GLU A 10 -7.284 24.672 10.464 1.00 0.00 N ATOM 102 CA GLU A 10 -6.042 23.910 10.417 1.00 0.00 C ATOM 103 C GLU A 10 -5.404 23.994 9.033 1.00 0.00 C ATOM 104 O GLU A 10 -5.944 23.474 8.057 1.00 0.00 O ATOM 105 CB GLU A 10 -6.301 22.447 10.783 1.00 0.00 C ATOM 106 CG GLU A 10 -6.353 22.194 12.281 1.00 0.00 C ATOM 107 CD GLU A 10 -7.320 23.118 12.995 1.00 0.00 C ATOM 108 OE1 GLU A 10 -8.526 22.797 13.037 1.00 0.00 O ATOM 109 OE2 GLU A 10 -6.870 24.162 13.512 1.00 0.00 O ATOM 0 H GLU A 10 -8.005 24.268 11.062 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.353 24.342 11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.244 22.131 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.518 21.828 10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.645 21.159 12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.356 22.322 12.702 1.00 0.00 H new ATOM 116 N TRP A 11 -4.253 24.652 8.958 1.00 0.00 N ATOM 117 CA TRP A 11 -3.542 24.806 7.694 1.00 0.00 C ATOM 118 C TRP A 11 -2.034 24.728 7.905 1.00 0.00 C ATOM 119 O TRP A 11 -1.503 25.299 8.858 1.00 0.00 O ATOM 120 CB TRP A 11 -3.910 26.137 7.036 1.00 0.00 C ATOM 121 CG TRP A 11 -3.858 26.094 5.539 1.00 0.00 C ATOM 122 CD1 TRP A 11 -4.757 25.493 4.705 1.00 0.00 C ATOM 123 CD2 TRP A 11 -2.854 26.673 4.699 1.00 0.00 C ATOM 124 NE1 TRP A 11 -4.372 25.664 3.397 1.00 0.00 N ATOM 125 CE2 TRP A 11 -3.208 26.386 3.367 1.00 0.00 C ATOM 126 CE3 TRP A 11 -1.691 27.409 4.943 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -2.440 26.808 2.285 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -0.929 27.827 3.868 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.306 27.526 2.553 1.00 0.00 C ATOM 0 H TRP A 11 -3.792 25.087 9.757 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.841 23.990 7.036 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.914 26.424 7.349 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.231 26.911 7.394 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.641 24.961 5.026 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.872 25.311 2.581 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.393 27.647 5.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.729 26.577 1.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.028 28.395 4.045 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.690 27.867 1.734 1.00 0.00 H new ATOM 140 N GLN A 12 -1.351 24.021 7.012 1.00 0.00 N ATOM 141 CA GLN A 12 0.097 23.870 7.102 1.00 0.00 C ATOM 142 C GLN A 12 0.488 23.125 8.374 1.00 0.00 C ATOM 143 O GLN A 12 1.448 23.493 9.049 1.00 0.00 O ATOM 144 CB GLN A 12 0.776 25.239 7.070 1.00 0.00 C ATOM 145 CG GLN A 12 1.136 25.707 5.669 1.00 0.00 C ATOM 146 CD GLN A 12 2.205 26.782 5.669 1.00 0.00 C ATOM 147 OE1 GLN A 12 2.064 27.814 6.326 1.00 0.00 O ATOM 148 NE2 GLN A 12 3.283 26.546 4.930 1.00 0.00 N ATOM 0 H GLN A 12 -1.776 23.543 6.217 1.00 0.00 H new ATOM 0 HA GLN A 12 0.431 23.287 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.116 25.974 7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.682 25.200 7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.483 24.855 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.242 26.089 5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.359 25.677 4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.035 27.234 4.891 1.00 0.00 H new ATOM 157 N GLN A 13 -0.264 22.076 8.695 1.00 0.00 N ATOM 158 CA GLN A 13 0.005 21.281 9.887 1.00 0.00 C ATOM 159 C GLN A 13 1.119 20.272 9.629 1.00 0.00 C ATOM 160 O GLN A 13 0.878 19.190 9.095 1.00 0.00 O ATOM 161 CB GLN A 13 -1.263 20.553 10.337 1.00 0.00 C ATOM 162 CG GLN A 13 -1.180 20.003 11.752 1.00 0.00 C ATOM 163 CD GLN A 13 -0.897 21.080 12.781 1.00 0.00 C ATOM 164 OE1 GLN A 13 0.217 21.597 12.865 1.00 0.00 O ATOM 165 NE2 GLN A 13 -1.907 21.424 13.571 1.00 0.00 N ATOM 0 H GLN A 13 -1.063 21.758 8.147 1.00 0.00 H new ATOM 0 HA GLN A 13 0.328 21.957 10.678 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.108 21.239 10.272 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.464 19.732 9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.118 19.506 12.000 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.397 19.247 11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.814 20.969 13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.776 22.143 14.282 1.00 0.00 H new ATOM 174 N ARG A 14 2.339 20.635 10.012 1.00 0.00 N ATOM 175 CA ARG A 14 3.491 19.762 9.820 1.00 0.00 C ATOM 176 C ARG A 14 3.631 18.783 10.982 1.00 0.00 C ATOM 177 O ARG A 14 3.811 19.190 12.130 1.00 0.00 O ATOM 178 CB ARG A 14 4.769 20.592 9.682 1.00 0.00 C ATOM 179 CG ARG A 14 5.903 19.853 8.989 1.00 0.00 C ATOM 180 CD ARG A 14 5.613 19.648 7.510 1.00 0.00 C ATOM 181 NE ARG A 14 6.801 19.231 6.772 1.00 0.00 N ATOM 182 CZ ARG A 14 7.848 20.020 6.558 1.00 0.00 C ATOM 183 NH1 ARG A 14 7.854 21.261 7.025 1.00 0.00 N ATOM 184 NH2 ARG A 14 8.894 19.568 5.877 1.00 0.00 N ATOM 0 H ARG A 14 2.555 21.527 10.457 1.00 0.00 H new ATOM 0 HA ARG A 14 3.335 19.192 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.544 21.500 9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.100 20.901 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.829 20.415 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.055 18.886 9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.832 18.896 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.229 20.575 7.084 1.00 0.00 H new ATOM 0 HE ARG A 14 6.829 18.282 6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.053 21.612 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.659 21.864 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.895 18.614 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.697 20.175 5.714 1.00 0.00 H new ATOM 198 N GLU A 15 3.546 17.493 10.676 1.00 0.00 N ATOM 199 CA GLU A 15 3.662 16.457 11.696 1.00 0.00 C ATOM 200 C GLU A 15 5.074 15.878 11.726 1.00 0.00 C ATOM 201 O GLU A 15 5.470 15.135 10.828 1.00 0.00 O ATOM 202 CB GLU A 15 2.647 15.341 11.439 1.00 0.00 C ATOM 203 CG GLU A 15 1.202 15.809 11.488 1.00 0.00 C ATOM 204 CD GLU A 15 0.215 14.679 11.273 1.00 0.00 C ATOM 205 OE1 GLU A 15 0.475 13.822 10.402 1.00 0.00 O ATOM 206 OE2 GLU A 15 -0.818 14.650 11.975 1.00 0.00 O ATOM 0 H GLU A 15 3.397 17.140 9.731 1.00 0.00 H new ATOM 0 HA GLU A 15 3.454 16.912 12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.844 14.900 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.790 14.554 12.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.008 16.277 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.045 16.573 10.726 1.00 0.00 H new ATOM 213 N ARG A 16 5.827 16.225 12.764 1.00 0.00 N ATOM 214 CA ARG A 16 7.195 15.743 12.911 1.00 0.00 C ATOM 215 C ARG A 16 7.262 14.598 13.917 1.00 0.00 C ATOM 216 O ARG A 16 6.602 14.632 14.956 1.00 0.00 O ATOM 217 CB ARG A 16 8.115 16.881 13.355 1.00 0.00 C ATOM 218 CG ARG A 16 7.695 17.529 14.664 1.00 0.00 C ATOM 219 CD ARG A 16 8.532 18.761 14.970 1.00 0.00 C ATOM 220 NE ARG A 16 9.728 18.433 15.740 1.00 0.00 N ATOM 221 CZ ARG A 16 10.754 19.263 15.895 1.00 0.00 C ATOM 222 NH1 ARG A 16 10.728 20.465 15.335 1.00 0.00 N ATOM 223 NH2 ARG A 16 11.807 18.892 16.611 1.00 0.00 N ATOM 0 H ARG A 16 5.513 16.838 13.516 1.00 0.00 H new ATOM 0 HA ARG A 16 7.529 15.373 11.942 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.130 16.497 13.459 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.140 17.642 12.575 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.642 17.807 14.612 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.795 16.809 15.476 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.823 19.243 14.036 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.929 19.480 15.525 1.00 0.00 H new ATOM 0 HE ARG A 16 9.779 17.516 16.184 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.919 20.754 14.784 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.517 21.101 15.455 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.830 17.969 17.043 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.594 19.530 16.729 1.00 0.00 H new ATOM 237 N ARG A 17 8.064 13.586 13.602 1.00 0.00 N ATOM 238 CA ARG A 17 8.216 12.430 14.477 1.00 0.00 C ATOM 239 C ARG A 17 9.688 12.172 14.786 1.00 0.00 C ATOM 240 O ARG A 17 10.572 12.835 14.243 1.00 0.00 O ATOM 241 CB ARG A 17 7.594 11.190 13.833 1.00 0.00 C ATOM 242 CG ARG A 17 6.124 11.002 14.167 1.00 0.00 C ATOM 243 CD ARG A 17 5.244 11.942 13.358 1.00 0.00 C ATOM 244 NE ARG A 17 3.837 11.834 13.734 1.00 0.00 N ATOM 245 CZ ARG A 17 3.072 10.792 13.429 1.00 0.00 C ATOM 246 NH1 ARG A 17 3.576 9.773 12.747 1.00 0.00 N ATOM 247 NH2 ARG A 17 1.800 10.767 13.807 1.00 0.00 N ATOM 0 H ARG A 17 8.619 13.543 12.747 1.00 0.00 H new ATOM 0 HA ARG A 17 7.698 12.643 15.412 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.706 11.258 12.751 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.147 10.308 14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.834 9.970 13.969 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.966 11.179 15.231 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.580 12.969 13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.354 11.718 12.297 1.00 0.00 H new ATOM 0 HE ARG A 17 3.419 12.601 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.553 9.788 12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.986 8.974 12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.409 11.549 14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.214 9.966 13.572 1.00 0.00 H new ATOM 261 N ARG A 18 9.943 11.206 15.663 1.00 0.00 N ATOM 262 CA ARG A 18 11.307 10.862 16.045 1.00 0.00 C ATOM 263 C ARG A 18 12.011 10.103 14.925 1.00 0.00 C ATOM 264 O ARG A 18 13.155 10.402 14.582 1.00 0.00 O ATOM 265 CB ARG A 18 11.304 10.020 17.323 1.00 0.00 C ATOM 266 CG ARG A 18 11.024 10.825 18.582 1.00 0.00 C ATOM 267 CD ARG A 18 9.535 11.071 18.766 1.00 0.00 C ATOM 268 NE ARG A 18 9.240 11.718 20.041 1.00 0.00 N ATOM 269 CZ ARG A 18 8.016 11.829 20.544 1.00 0.00 C ATOM 270 NH1 ARG A 18 6.977 11.338 19.883 1.00 0.00 N ATOM 271 NH2 ARG A 18 7.829 12.431 21.712 1.00 0.00 N ATOM 0 H ARG A 18 9.223 10.648 16.122 1.00 0.00 H new ATOM 0 HA ARG A 18 11.850 11.789 16.229 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.553 9.235 17.229 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.270 9.526 17.425 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.416 10.294 19.449 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.548 11.779 18.529 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.167 11.693 17.950 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.001 10.122 18.709 1.00 0.00 H new ATOM 0 HE ARG A 18 10.017 12.106 20.575 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.117 10.874 18.986 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.038 11.425 20.272 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.626 12.809 22.224 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.888 12.516 22.097 1.00 0.00 H new ATOM 285 N TYR A 19 11.320 9.119 14.359 1.00 0.00 N ATOM 286 CA TYR A 19 11.880 8.315 13.279 1.00 0.00 C ATOM 287 C TYR A 19 11.288 8.723 11.933 1.00 0.00 C ATOM 288 O TYR A 19 10.149 9.184 11.855 1.00 0.00 O ATOM 289 CB TYR A 19 11.619 6.829 13.534 1.00 0.00 C ATOM 290 CG TYR A 19 12.313 6.296 14.767 1.00 0.00 C ATOM 291 CD1 TYR A 19 12.012 6.795 16.028 1.00 0.00 C ATOM 292 CD2 TYR A 19 13.268 5.292 14.671 1.00 0.00 C ATOM 293 CE1 TYR A 19 12.643 6.311 17.157 1.00 0.00 C ATOM 294 CE2 TYR A 19 13.904 4.801 15.795 1.00 0.00 C ATOM 295 CZ TYR A 19 13.588 5.314 17.036 1.00 0.00 C ATOM 296 OH TYR A 19 14.219 4.829 18.158 1.00 0.00 O ATOM 0 H TYR A 19 10.372 8.859 14.630 1.00 0.00 H new ATOM 0 HA TYR A 19 12.956 8.489 13.250 1.00 0.00 H new ATOM 0 HB2 TYR A 19 10.545 6.669 13.634 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.947 6.257 12.666 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.272 7.575 16.127 1.00 0.00 H new ATOM 0 HD2 TYR A 19 13.518 4.888 13.701 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.398 6.711 18.130 1.00 0.00 H new ATOM 0 HE2 TYR A 19 14.644 4.020 15.703 1.00 0.00 H new ATOM 0 HH TYR A 19 14.855 4.130 17.899 1.00 0.00 H new ATOM 306 N LYS A 20 12.071 8.549 10.873 1.00 0.00 N ATOM 307 CA LYS A 20 11.627 8.896 9.529 1.00 0.00 C ATOM 308 C LYS A 20 12.508 8.230 8.476 1.00 0.00 C ATOM 309 O LYS A 20 13.721 8.437 8.446 1.00 0.00 O ATOM 310 CB LYS A 20 11.647 10.414 9.339 1.00 0.00 C ATOM 311 CG LYS A 20 10.924 10.880 8.087 1.00 0.00 C ATOM 312 CD LYS A 20 11.097 12.374 7.866 1.00 0.00 C ATOM 313 CE LYS A 20 10.570 12.801 6.505 1.00 0.00 C ATOM 314 NZ LYS A 20 9.089 12.961 6.509 1.00 0.00 N ATOM 0 H LYS A 20 13.017 8.169 10.920 1.00 0.00 H new ATOM 0 HA LYS A 20 10.606 8.534 9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.191 10.887 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.682 10.753 9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.305 10.337 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.863 10.644 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.572 12.922 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.152 12.635 7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.036 13.742 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.853 12.060 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.657 12.211 5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.735 12.894 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.839 13.890 6.113 1.00 0.00 H new ATOM 328 N CYS A 21 11.889 7.431 7.614 1.00 0.00 N ATOM 329 CA CYS A 21 12.616 6.735 6.559 1.00 0.00 C ATOM 330 C CYS A 21 13.051 7.707 5.466 1.00 0.00 C ATOM 331 O CYS A 21 12.369 7.865 4.453 1.00 0.00 O ATOM 332 CB CYS A 21 11.747 5.629 5.956 1.00 0.00 C ATOM 333 SG CYS A 21 12.676 4.401 4.982 1.00 0.00 S ATOM 0 H CYS A 21 10.885 7.249 7.625 1.00 0.00 H new ATOM 0 HA CYS A 21 13.507 6.288 7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 21 11.221 5.116 6.761 1.00 0.00 H new ATOM 0 HB3 CYS A 21 10.989 6.084 5.319 1.00 0.00 H new ATOM 338 N ASP A 22 14.192 8.354 5.678 1.00 0.00 N ATOM 339 CA ASP A 22 14.720 9.310 4.711 1.00 0.00 C ATOM 340 C ASP A 22 14.674 8.735 3.299 1.00 0.00 C ATOM 341 O ASP A 22 14.564 9.474 2.321 1.00 0.00 O ATOM 342 CB ASP A 22 16.155 9.694 5.073 1.00 0.00 C ATOM 343 CG ASP A 22 16.904 10.302 3.904 1.00 0.00 C ATOM 344 OD1 ASP A 22 16.329 11.175 3.221 1.00 0.00 O ATOM 345 OD2 ASP A 22 18.065 9.904 3.671 1.00 0.00 O ATOM 0 H ASP A 22 14.769 8.234 6.511 1.00 0.00 H new ATOM 0 HA ASP A 22 14.095 10.203 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.140 10.404 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.688 8.809 5.422 1.00 0.00 H new ATOM 350 N GLU A 23 14.762 7.412 3.200 1.00 0.00 N ATOM 351 CA GLU A 23 14.733 6.739 1.907 1.00 0.00 C ATOM 352 C GLU A 23 13.563 7.236 1.062 1.00 0.00 C ATOM 353 O GLU A 23 13.735 7.606 -0.100 1.00 0.00 O ATOM 354 CB GLU A 23 14.632 5.225 2.098 1.00 0.00 C ATOM 355 CG GLU A 23 15.834 4.618 2.800 1.00 0.00 C ATOM 356 CD GLU A 23 15.691 3.124 3.016 1.00 0.00 C ATOM 357 OE1 GLU A 23 15.159 2.725 4.073 1.00 0.00 O ATOM 358 OE2 GLU A 23 16.112 2.353 2.128 1.00 0.00 O ATOM 0 H GLU A 23 14.854 6.786 4.000 1.00 0.00 H new ATOM 0 HA GLU A 23 15.661 6.971 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.734 4.999 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.514 4.752 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.730 4.812 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.973 5.109 3.763 1.00 0.00 H new ATOM 365 N CYS A 24 12.373 7.241 1.653 1.00 0.00 N ATOM 366 CA CYS A 24 11.174 7.690 0.956 1.00 0.00 C ATOM 367 C CYS A 24 10.642 8.983 1.568 1.00 0.00 C ATOM 368 O CYS A 24 10.276 9.916 0.854 1.00 0.00 O ATOM 369 CB CYS A 24 10.095 6.607 1.004 1.00 0.00 C ATOM 370 SG CYS A 24 9.971 5.752 2.608 1.00 0.00 S ATOM 0 H CYS A 24 12.213 6.939 2.614 1.00 0.00 H new ATOM 0 HA CYS A 24 11.438 7.883 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.131 7.059 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.299 5.871 0.227 1.00 0.00 H new ATOM 375 N GLY A 25 10.601 9.029 2.896 1.00 0.00 N ATOM 376 CA GLY A 25 10.112 10.211 3.582 1.00 0.00 C ATOM 377 C GLY A 25 8.952 9.904 4.510 1.00 0.00 C ATOM 378 O GLY A 25 8.167 10.790 4.848 1.00 0.00 O ATOM 0 H GLY A 25 10.897 8.269 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.924 10.657 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.798 10.951 2.846 1.00 0.00 H new ATOM 382 N LYS A 26 8.843 8.646 4.921 1.00 0.00 N ATOM 383 CA LYS A 26 7.771 8.223 5.815 1.00 0.00 C ATOM 384 C LYS A 26 8.212 8.308 7.272 1.00 0.00 C ATOM 385 O LYS A 26 9.403 8.422 7.564 1.00 0.00 O ATOM 386 CB LYS A 26 7.337 6.793 5.484 1.00 0.00 C ATOM 387 CG LYS A 26 5.877 6.513 5.796 1.00 0.00 C ATOM 388 CD LYS A 26 5.434 5.174 5.231 1.00 0.00 C ATOM 389 CE LYS A 26 4.949 5.307 3.796 1.00 0.00 C ATOM 390 NZ LYS A 26 6.081 5.442 2.838 1.00 0.00 N ATOM 0 H LYS A 26 9.484 7.901 4.649 1.00 0.00 H new ATOM 0 HA LYS A 26 6.925 8.895 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.517 6.604 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.960 6.095 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.726 6.521 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.256 7.307 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.264 4.468 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.636 4.763 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.352 4.434 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.297 6.176 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.828 4.990 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.281 6.450 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.926 4.980 3.232 1.00 0.00 H new ATOM 404 N SER A 27 7.246 8.248 8.183 1.00 0.00 N ATOM 405 CA SER A 27 7.536 8.320 9.610 1.00 0.00 C ATOM 406 C SER A 27 6.724 7.284 10.382 1.00 0.00 C ATOM 407 O SER A 27 5.722 6.768 9.886 1.00 0.00 O ATOM 408 CB SER A 27 7.233 9.722 10.144 1.00 0.00 C ATOM 409 OG SER A 27 5.950 10.159 9.731 1.00 0.00 O ATOM 0 H SER A 27 6.256 8.150 7.958 1.00 0.00 H new ATOM 0 HA SER A 27 8.595 8.106 9.751 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.287 9.719 11.233 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.990 10.421 9.789 1.00 0.00 H new ATOM 0 HG SER A 27 5.780 11.056 10.086 1.00 0.00 H new ATOM 415 N PHE A 28 7.164 6.985 11.600 1.00 0.00 N ATOM 416 CA PHE A 28 6.480 6.010 12.442 1.00 0.00 C ATOM 417 C PHE A 28 6.632 6.365 13.918 1.00 0.00 C ATOM 418 O PHE A 28 7.651 6.917 14.333 1.00 0.00 O ATOM 419 CB PHE A 28 7.031 4.606 12.183 1.00 0.00 C ATOM 420 CG PHE A 28 6.950 4.186 10.744 1.00 0.00 C ATOM 421 CD1 PHE A 28 7.908 4.601 9.833 1.00 0.00 C ATOM 422 CD2 PHE A 28 5.916 3.377 10.301 1.00 0.00 C ATOM 423 CE1 PHE A 28 7.837 4.216 8.507 1.00 0.00 C ATOM 424 CE2 PHE A 28 5.840 2.988 8.977 1.00 0.00 C ATOM 425 CZ PHE A 28 6.801 3.409 8.079 1.00 0.00 C ATOM 0 H PHE A 28 7.991 7.404 12.026 1.00 0.00 H new ATOM 0 HA PHE A 28 5.420 6.029 12.190 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.071 4.567 12.506 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.481 3.890 12.794 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.720 5.233 10.163 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.161 3.047 10.999 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.590 4.546 7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.030 2.355 8.645 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.743 3.108 7.044 1.00 0.00 H new ATOM 435 N SER A 29 5.610 6.044 14.706 1.00 0.00 N ATOM 436 CA SER A 29 5.627 6.332 16.135 1.00 0.00 C ATOM 437 C SER A 29 6.476 5.310 16.885 1.00 0.00 C ATOM 438 O SER A 29 7.121 5.634 17.883 1.00 0.00 O ATOM 439 CB SER A 29 4.203 6.336 16.693 1.00 0.00 C ATOM 440 OG SER A 29 3.383 7.255 15.991 1.00 0.00 O ATOM 0 H SER A 29 4.760 5.585 14.378 1.00 0.00 H new ATOM 0 HA SER A 29 6.068 7.319 16.276 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.778 5.335 16.620 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.224 6.597 17.751 1.00 0.00 H new ATOM 0 HG SER A 29 2.477 7.238 16.365 1.00 0.00 H new ATOM 446 N HIS A 30 6.470 4.073 16.398 1.00 0.00 N ATOM 447 CA HIS A 30 7.239 3.002 17.021 1.00 0.00 C ATOM 448 C HIS A 30 8.407 2.584 16.133 1.00 0.00 C ATOM 449 O HIS A 30 8.210 2.098 15.019 1.00 0.00 O ATOM 450 CB HIS A 30 6.341 1.797 17.302 1.00 0.00 C ATOM 451 CG HIS A 30 6.760 1.004 18.502 1.00 0.00 C ATOM 452 ND1 HIS A 30 7.418 -0.205 18.412 1.00 0.00 N ATOM 453 CD2 HIS A 30 6.615 1.254 19.824 1.00 0.00 C ATOM 454 CE1 HIS A 30 7.656 -0.665 19.627 1.00 0.00 C ATOM 455 NE2 HIS A 30 7.180 0.202 20.502 1.00 0.00 N ATOM 0 H HIS A 30 5.941 3.788 15.574 1.00 0.00 H new ATOM 0 HA HIS A 30 7.638 3.376 17.964 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.317 2.143 17.445 1.00 0.00 H new ATOM 0 HB3 HIS A 30 6.338 1.145 16.429 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.143 2.120 20.264 1.00 0.00 H new ATOM 0 HE1 HIS A 30 8.155 -1.593 19.865 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.225 0.106 21.516 1.00 0.00 H new ATOM 463 N SER A 31 9.623 2.777 16.633 1.00 0.00 N ATOM 464 CA SER A 31 10.823 2.424 15.882 1.00 0.00 C ATOM 465 C SER A 31 10.681 1.044 15.248 1.00 0.00 C ATOM 466 O SER A 31 10.960 0.862 14.063 1.00 0.00 O ATOM 467 CB SER A 31 12.049 2.454 16.797 1.00 0.00 C ATOM 468 OG SER A 31 12.021 1.381 17.722 1.00 0.00 O ATOM 0 H SER A 31 9.804 3.176 17.554 1.00 0.00 H new ATOM 0 HA SER A 31 10.953 3.158 15.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.957 2.397 16.196 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.082 3.401 17.335 1.00 0.00 H new ATOM 0 HG SER A 31 12.816 1.421 18.294 1.00 0.00 H new ATOM 474 N SER A 32 10.245 0.075 16.046 1.00 0.00 N ATOM 475 CA SER A 32 10.069 -1.291 15.565 1.00 0.00 C ATOM 476 C SER A 32 9.380 -1.302 14.203 1.00 0.00 C ATOM 477 O SER A 32 9.916 -1.831 13.229 1.00 0.00 O ATOM 478 CB SER A 32 9.252 -2.106 16.569 1.00 0.00 C ATOM 479 OG SER A 32 9.595 -3.480 16.509 1.00 0.00 O ATOM 0 H SER A 32 10.007 0.210 17.029 1.00 0.00 H new ATOM 0 HA SER A 32 11.055 -1.743 15.458 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.426 -1.728 17.576 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.189 -1.984 16.362 1.00 0.00 H new ATOM 0 HG SER A 32 9.061 -3.979 17.161 1.00 0.00 H new ATOM 485 N ASP A 33 8.190 -0.715 14.144 1.00 0.00 N ATOM 486 CA ASP A 33 7.427 -0.656 12.903 1.00 0.00 C ATOM 487 C ASP A 33 8.327 -0.281 11.729 1.00 0.00 C ATOM 488 O ASP A 33 8.516 -1.068 10.801 1.00 0.00 O ATOM 489 CB ASP A 33 6.285 0.354 13.028 1.00 0.00 C ATOM 490 CG ASP A 33 5.084 -0.219 13.755 1.00 0.00 C ATOM 491 OD1 ASP A 33 5.275 -1.121 14.598 1.00 0.00 O ATOM 492 OD2 ASP A 33 3.954 0.236 13.482 1.00 0.00 O ATOM 0 H ASP A 33 7.733 -0.273 14.941 1.00 0.00 H new ATOM 0 HA ASP A 33 7.008 -1.645 12.716 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.641 1.237 13.559 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.982 0.681 12.033 1.00 0.00 H new ATOM 497 N LEU A 34 8.880 0.926 11.777 1.00 0.00 N ATOM 498 CA LEU A 34 9.760 1.407 10.717 1.00 0.00 C ATOM 499 C LEU A 34 10.667 0.289 10.214 1.00 0.00 C ATOM 500 O LEU A 34 10.610 -0.091 9.044 1.00 0.00 O ATOM 501 CB LEU A 34 10.606 2.578 11.221 1.00 0.00 C ATOM 502 CG LEU A 34 11.982 2.738 10.576 1.00 0.00 C ATOM 503 CD1 LEU A 34 11.853 3.343 9.186 1.00 0.00 C ATOM 504 CD2 LEU A 34 12.885 3.596 11.451 1.00 0.00 C ATOM 0 H LEU A 34 8.735 1.589 12.538 1.00 0.00 H new ATOM 0 HA LEU A 34 9.138 1.746 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.045 3.499 11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.742 2.465 12.297 1.00 0.00 H new ATOM 0 HG LEU A 34 12.434 1.751 10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.843 3.449 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.243 2.691 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.380 4.323 9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.861 3.699 10.976 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.438 4.582 11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.004 3.122 12.425 1.00 0.00 H new ATOM 516 N SER A 35 11.502 -0.235 11.105 1.00 0.00 N ATOM 517 CA SER A 35 12.423 -1.309 10.751 1.00 0.00 C ATOM 518 C SER A 35 11.787 -2.258 9.739 1.00 0.00 C ATOM 519 O SER A 35 12.392 -2.593 8.720 1.00 0.00 O ATOM 520 CB SER A 35 12.840 -2.085 12.002 1.00 0.00 C ATOM 521 OG SER A 35 13.722 -1.320 12.805 1.00 0.00 O ATOM 0 H SER A 35 11.560 0.067 12.078 1.00 0.00 H new ATOM 0 HA SER A 35 13.308 -0.861 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.955 -2.352 12.580 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.324 -3.017 11.711 1.00 0.00 H new ATOM 0 HG SER A 35 13.973 -1.837 13.599 1.00 0.00 H new ATOM 527 N LYS A 36 10.564 -2.687 10.027 1.00 0.00 N ATOM 528 CA LYS A 36 9.843 -3.596 9.144 1.00 0.00 C ATOM 529 C LYS A 36 9.527 -2.924 7.812 1.00 0.00 C ATOM 530 O LYS A 36 9.621 -3.546 6.753 1.00 0.00 O ATOM 531 CB LYS A 36 8.548 -4.067 9.809 1.00 0.00 C ATOM 532 CG LYS A 36 8.769 -4.788 11.128 1.00 0.00 C ATOM 533 CD LYS A 36 7.548 -4.693 12.027 1.00 0.00 C ATOM 534 CE LYS A 36 6.508 -5.743 11.666 1.00 0.00 C ATOM 535 NZ LYS A 36 5.725 -5.357 10.460 1.00 0.00 N ATOM 0 H LYS A 36 10.050 -2.420 10.866 1.00 0.00 H new ATOM 0 HA LYS A 36 10.481 -4.459 8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.903 -3.205 9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.019 -4.731 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.000 -5.836 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.632 -4.359 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.849 -4.820 13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.108 -3.699 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.003 -6.698 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.831 -5.888 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.753 -5.717 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.704 -4.321 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.170 -5.763 9.612 1.00 0.00 H new ATOM 549 N HIS A 37 9.154 -1.649 7.871 1.00 0.00 N ATOM 550 CA HIS A 37 8.826 -0.892 6.668 1.00 0.00 C ATOM 551 C HIS A 37 10.048 -0.747 5.767 1.00 0.00 C ATOM 552 O HIS A 37 9.973 -0.979 4.561 1.00 0.00 O ATOM 553 CB HIS A 37 8.286 0.489 7.041 1.00 0.00 C ATOM 554 CG HIS A 37 8.389 1.492 5.934 1.00 0.00 C ATOM 555 ND1 HIS A 37 7.386 1.700 5.011 1.00 0.00 N ATOM 556 CD2 HIS A 37 9.385 2.348 5.604 1.00 0.00 C ATOM 557 CE1 HIS A 37 7.760 2.639 4.161 1.00 0.00 C ATOM 558 NE2 HIS A 37 8.970 3.049 4.499 1.00 0.00 N ATOM 0 H HIS A 37 9.071 -1.119 8.739 1.00 0.00 H new ATOM 0 HA HIS A 37 8.058 -1.439 6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.241 0.394 7.337 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.831 0.861 7.909 1.00 0.00 H new ATOM 0 HD1 HIS A 37 6.494 1.206 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.330 2.459 6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.176 3.009 3.331 1.00 0.00 H new ATOM 566 N ARG A 38 11.173 -0.362 6.362 1.00 0.00 N ATOM 567 CA ARG A 38 12.411 -0.184 5.612 1.00 0.00 C ATOM 568 C ARG A 38 12.612 -1.323 4.617 1.00 0.00 C ATOM 569 O ARG A 38 13.232 -1.143 3.569 1.00 0.00 O ATOM 570 CB ARG A 38 13.604 -0.110 6.567 1.00 0.00 C ATOM 571 CG ARG A 38 13.493 1.004 7.595 1.00 0.00 C ATOM 572 CD ARG A 38 14.862 1.532 7.994 1.00 0.00 C ATOM 573 NE ARG A 38 14.880 2.024 9.369 1.00 0.00 N ATOM 574 CZ ARG A 38 15.969 2.040 10.130 1.00 0.00 C ATOM 575 NH1 ARG A 38 17.122 1.595 9.651 1.00 0.00 N ATOM 576 NH2 ARG A 38 15.905 2.503 11.372 1.00 0.00 N ATOM 0 H ARG A 38 11.252 -0.168 7.360 1.00 0.00 H new ATOM 0 HA ARG A 38 12.340 0.752 5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.703 -1.063 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.515 0.033 5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.892 1.818 7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.973 0.635 8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.602 0.740 7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.152 2.336 7.318 1.00 0.00 H new ATOM 0 HE ARG A 38 14.009 2.375 9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.174 1.239 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.957 1.608 10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.019 2.847 11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.741 2.515 11.956 1.00 0.00 H new ATOM 590 N ARG A 39 12.085 -2.496 4.953 1.00 0.00 N ATOM 591 CA ARG A 39 12.209 -3.665 4.091 1.00 0.00 C ATOM 592 C ARG A 39 11.633 -3.381 2.706 1.00 0.00 C ATOM 593 O ARG A 39 12.218 -3.756 1.689 1.00 0.00 O ATOM 594 CB ARG A 39 11.494 -4.864 4.716 1.00 0.00 C ATOM 595 CG ARG A 39 11.969 -5.191 6.122 1.00 0.00 C ATOM 596 CD ARG A 39 11.380 -6.502 6.619 1.00 0.00 C ATOM 597 NE ARG A 39 11.814 -6.818 7.977 1.00 0.00 N ATOM 598 CZ ARG A 39 11.768 -8.039 8.498 1.00 0.00 C ATOM 599 NH1 ARG A 39 11.309 -9.053 7.778 1.00 0.00 N ATOM 600 NH2 ARG A 39 12.182 -8.247 9.741 1.00 0.00 N ATOM 0 H ARG A 39 11.568 -2.662 5.816 1.00 0.00 H new ATOM 0 HA ARG A 39 13.269 -3.898 3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.423 -4.665 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.642 -5.737 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.057 -5.252 6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.687 -4.385 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.292 -6.444 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.674 -7.309 5.948 1.00 0.00 H new ATOM 0 HE ARG A 39 12.172 -6.059 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.990 -8.896 6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.275 -9.990 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.536 -7.469 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.146 -9.185 10.140 1.00 0.00 H new ATOM 614 N THR A 40 10.482 -2.718 2.674 1.00 0.00 N ATOM 615 CA THR A 40 9.826 -2.385 1.415 1.00 0.00 C ATOM 616 C THR A 40 10.828 -1.857 0.396 1.00 0.00 C ATOM 617 O THR A 40 10.590 -1.912 -0.811 1.00 0.00 O ATOM 618 CB THR A 40 8.717 -1.336 1.619 1.00 0.00 C ATOM 619 OG1 THR A 40 8.092 -1.034 0.367 1.00 0.00 O ATOM 620 CG2 THR A 40 9.282 -0.063 2.230 1.00 0.00 C ATOM 0 H THR A 40 9.984 -2.401 3.506 1.00 0.00 H new ATOM 0 HA THR A 40 9.380 -3.305 1.038 1.00 0.00 H new ATOM 0 HB THR A 40 7.977 -1.751 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.387 -0.367 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.480 0.663 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.731 -0.291 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.041 0.353 1.567 1.00 0.00 H new ATOM 628 N HIS A 41 11.952 -1.345 0.888 1.00 0.00 N ATOM 629 CA HIS A 41 12.992 -0.807 0.019 1.00 0.00 C ATOM 630 C HIS A 41 14.011 -1.884 -0.340 1.00 0.00 C ATOM 631 O HIS A 41 15.213 -1.712 -0.134 1.00 0.00 O ATOM 632 CB HIS A 41 13.695 0.370 0.696 1.00 0.00 C ATOM 633 CG HIS A 41 12.752 1.413 1.214 1.00 0.00 C ATOM 634 ND1 HIS A 41 11.852 2.079 0.409 1.00 0.00 N ATOM 635 CD2 HIS A 41 12.572 1.902 2.463 1.00 0.00 C ATOM 636 CE1 HIS A 41 11.160 2.934 1.141 1.00 0.00 C ATOM 637 NE2 HIS A 41 11.577 2.846 2.391 1.00 0.00 N ATOM 0 H HIS A 41 12.165 -1.292 1.884 1.00 0.00 H new ATOM 0 HA HIS A 41 12.518 -0.458 -0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 41 14.299 -0.005 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 41 14.380 0.832 -0.015 1.00 0.00 H new ATOM 0 HD1 HIS A 41 11.738 1.934 -0.594 1.00 0.00 H new ATOM 0 HD2 HIS A 41 13.110 1.605 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.385 3.593 0.779 1.00 0.00 H new ATOM 645 N THR A 42 13.523 -2.998 -0.878 1.00 0.00 N ATOM 646 CA THR A 42 14.390 -4.104 -1.264 1.00 0.00 C ATOM 647 C THR A 42 14.041 -4.617 -2.656 1.00 0.00 C ATOM 648 O THR A 42 14.900 -4.697 -3.533 1.00 0.00 O ATOM 649 CB THR A 42 14.295 -5.269 -0.261 1.00 0.00 C ATOM 650 OG1 THR A 42 12.931 -5.682 -0.118 1.00 0.00 O ATOM 651 CG2 THR A 42 14.851 -4.862 1.096 1.00 0.00 C ATOM 0 H THR A 42 12.531 -3.158 -1.056 1.00 0.00 H new ATOM 0 HA THR A 42 15.410 -3.719 -1.267 1.00 0.00 H new ATOM 0 HB THR A 42 14.888 -6.099 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.476 -5.093 0.519 1.00 0.00 H new ATOM 0 HG21 THR A 42 14.773 -5.701 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.897 -4.575 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 42 14.281 -4.018 1.484 1.00 0.00 H new ATOM 659 N GLY A 43 12.772 -4.964 -2.853 1.00 0.00 N ATOM 660 CA GLY A 43 12.331 -5.465 -4.142 1.00 0.00 C ATOM 661 C GLY A 43 10.879 -5.135 -4.426 1.00 0.00 C ATOM 662 O GLY A 43 10.122 -5.988 -4.887 1.00 0.00 O ATOM 0 H GLY A 43 12.042 -4.907 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.957 -5.041 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.468 -6.546 -4.174 1.00 0.00 H new ATOM 666 N GLU A 44 10.490 -3.895 -4.148 1.00 0.00 N ATOM 667 CA GLU A 44 9.118 -3.457 -4.374 1.00 0.00 C ATOM 668 C GLU A 44 9.074 -1.981 -4.759 1.00 0.00 C ATOM 669 O GLU A 44 10.061 -1.259 -4.610 1.00 0.00 O ATOM 670 CB GLU A 44 8.270 -3.694 -3.123 1.00 0.00 C ATOM 671 CG GLU A 44 7.638 -5.075 -3.069 1.00 0.00 C ATOM 672 CD GLU A 44 6.291 -5.128 -3.762 1.00 0.00 C ATOM 673 OE1 GLU A 44 5.416 -4.305 -3.420 1.00 0.00 O ATOM 674 OE2 GLU A 44 6.111 -5.993 -4.645 1.00 0.00 O ATOM 0 H GLU A 44 11.105 -3.176 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 44 8.709 -4.042 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.893 -3.554 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.483 -2.941 -3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.310 -5.796 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.519 -5.375 -2.028 1.00 0.00 H new ATOM 681 N LYS A 45 7.924 -1.538 -5.255 1.00 0.00 N ATOM 682 CA LYS A 45 7.749 -0.149 -5.662 1.00 0.00 C ATOM 683 C LYS A 45 8.202 0.802 -4.558 1.00 0.00 C ATOM 684 O LYS A 45 7.962 0.574 -3.372 1.00 0.00 O ATOM 685 CB LYS A 45 6.285 0.121 -6.013 1.00 0.00 C ATOM 686 CG LYS A 45 5.938 -0.193 -7.458 1.00 0.00 C ATOM 687 CD LYS A 45 5.970 -1.688 -7.727 1.00 0.00 C ATOM 688 CE LYS A 45 5.494 -2.012 -9.135 1.00 0.00 C ATOM 689 NZ LYS A 45 6.607 -1.958 -10.123 1.00 0.00 N ATOM 0 H LYS A 45 7.098 -2.122 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 45 8.365 0.025 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.648 -0.473 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.059 1.169 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.947 0.198 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.642 0.312 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.985 -2.062 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.340 -2.203 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.046 -3.005 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.715 -1.307 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.226 -1.727 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.290 -1.227 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.084 -2.882 -10.160 1.00 0.00 H new ATOM 703 N PRO A 46 8.872 1.894 -4.954 1.00 0.00 N ATOM 704 CA PRO A 46 9.370 2.902 -4.013 1.00 0.00 C ATOM 705 C PRO A 46 8.243 3.705 -3.374 1.00 0.00 C ATOM 706 O PRO A 46 8.484 4.569 -2.530 1.00 0.00 O ATOM 707 CB PRO A 46 10.240 3.806 -4.890 1.00 0.00 C ATOM 708 CG PRO A 46 9.687 3.648 -6.264 1.00 0.00 C ATOM 709 CD PRO A 46 9.194 2.230 -6.351 1.00 0.00 C ATOM 0 HA PRO A 46 9.906 2.451 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.190 4.844 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.288 3.508 -4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.876 4.355 -6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.451 3.843 -7.017 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.319 2.148 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 46 9.955 1.565 -6.759 1.00 0.00 H new ATOM 717 N TYR A 47 7.012 3.416 -3.781 1.00 0.00 N ATOM 718 CA TYR A 47 5.847 4.113 -3.248 1.00 0.00 C ATOM 719 C TYR A 47 4.694 3.143 -3.008 1.00 0.00 C ATOM 720 O TYR A 47 4.230 2.471 -3.929 1.00 0.00 O ATOM 721 CB TYR A 47 5.406 5.219 -4.208 1.00 0.00 C ATOM 722 CG TYR A 47 6.530 6.139 -4.629 1.00 0.00 C ATOM 723 CD1 TYR A 47 6.885 7.235 -3.852 1.00 0.00 C ATOM 724 CD2 TYR A 47 7.236 5.912 -5.804 1.00 0.00 C ATOM 725 CE1 TYR A 47 7.911 8.078 -4.233 1.00 0.00 C ATOM 726 CE2 TYR A 47 8.264 6.749 -6.192 1.00 0.00 C ATOM 727 CZ TYR A 47 8.597 7.831 -5.404 1.00 0.00 C ATOM 728 OH TYR A 47 9.620 8.668 -5.787 1.00 0.00 O ATOM 0 H TYR A 47 6.795 2.704 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 47 6.127 4.559 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.968 4.764 -5.096 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.623 5.810 -3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.350 7.431 -2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.977 5.067 -6.424 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.174 8.926 -3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.804 6.557 -7.107 1.00 0.00 H new ATOM 0 HH TYR A 47 10.000 8.354 -6.634 1.00 0.00 H new ATOM 738 N LYS A 48 4.236 3.076 -1.763 1.00 0.00 N ATOM 739 CA LYS A 48 3.136 2.191 -1.398 1.00 0.00 C ATOM 740 C LYS A 48 2.192 2.873 -0.414 1.00 0.00 C ATOM 741 O LYS A 48 2.576 3.189 0.713 1.00 0.00 O ATOM 742 CB LYS A 48 3.677 0.896 -0.789 1.00 0.00 C ATOM 743 CG LYS A 48 2.607 -0.154 -0.543 1.00 0.00 C ATOM 744 CD LYS A 48 1.949 0.028 0.815 1.00 0.00 C ATOM 745 CE LYS A 48 0.857 -1.006 1.048 1.00 0.00 C ATOM 746 NZ LYS A 48 1.413 -2.300 1.531 1.00 0.00 N ATOM 0 H LYS A 48 4.610 3.625 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 48 2.578 1.954 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.435 0.481 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.171 1.127 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.851 -0.094 -1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.051 -1.148 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.702 -0.053 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.524 1.029 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.143 -0.623 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.308 -1.170 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.638 -2.978 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.075 -2.679 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.915 -2.148 2.429 1.00 0.00 H new ATOM 760 N CYS A 49 0.955 3.096 -0.845 1.00 0.00 N ATOM 761 CA CYS A 49 -0.045 3.740 -0.002 1.00 0.00 C ATOM 762 C CYS A 49 -0.645 2.745 0.987 1.00 0.00 C ATOM 763 O CYS A 49 -1.259 1.754 0.592 1.00 0.00 O ATOM 764 CB CYS A 49 -1.153 4.350 -0.863 1.00 0.00 C ATOM 765 SG CYS A 49 -2.548 5.029 0.092 1.00 0.00 S ATOM 0 H CYS A 49 0.621 2.840 -1.774 1.00 0.00 H new ATOM 0 HA CYS A 49 0.447 4.533 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.726 5.143 -1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.530 3.588 -1.545 1.00 0.00 H new ATOM 770 N ASP A 50 -0.462 3.016 2.275 1.00 0.00 N ATOM 771 CA ASP A 50 -0.986 2.146 3.321 1.00 0.00 C ATOM 772 C ASP A 50 -2.491 2.332 3.480 1.00 0.00 C ATOM 773 O ASP A 50 -3.228 1.366 3.677 1.00 0.00 O ATOM 774 CB ASP A 50 -0.281 2.428 4.649 1.00 0.00 C ATOM 775 CG ASP A 50 1.183 2.038 4.622 1.00 0.00 C ATOM 776 OD1 ASP A 50 2.011 2.871 4.196 1.00 0.00 O ATOM 777 OD2 ASP A 50 1.502 0.900 5.027 1.00 0.00 O ATOM 0 H ASP A 50 0.045 3.831 2.619 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.795 1.113 3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.367 3.489 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.785 1.883 5.447 1.00 0.00 H new ATOM 782 N GLU A 51 -2.940 3.580 3.394 1.00 0.00 N ATOM 783 CA GLU A 51 -4.358 3.892 3.531 1.00 0.00 C ATOM 784 C GLU A 51 -5.213 2.880 2.774 1.00 0.00 C ATOM 785 O GLU A 51 -6.113 2.261 3.343 1.00 0.00 O ATOM 786 CB GLU A 51 -4.644 5.304 3.015 1.00 0.00 C ATOM 787 CG GLU A 51 -3.878 6.389 3.754 1.00 0.00 C ATOM 788 CD GLU A 51 -4.152 6.383 5.246 1.00 0.00 C ATOM 789 OE1 GLU A 51 -5.240 6.845 5.650 1.00 0.00 O ATOM 790 OE2 GLU A 51 -3.280 5.919 6.008 1.00 0.00 O ATOM 0 H GLU A 51 -2.343 4.391 3.230 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.615 3.840 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.394 5.352 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.712 5.503 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.810 6.255 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.146 7.362 3.343 1.00 0.00 H new ATOM 797 N CYS A 52 -4.927 2.717 1.487 1.00 0.00 N ATOM 798 CA CYS A 52 -5.668 1.782 0.650 1.00 0.00 C ATOM 799 C CYS A 52 -4.876 0.495 0.438 1.00 0.00 C ATOM 800 O CYS A 52 -5.418 -0.605 0.543 1.00 0.00 O ATOM 801 CB CYS A 52 -5.994 2.421 -0.701 1.00 0.00 C ATOM 802 SG CYS A 52 -4.529 2.818 -1.709 1.00 0.00 S ATOM 0 H CYS A 52 -4.186 3.221 1.000 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.598 1.535 1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.637 1.745 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.563 3.335 -0.531 1.00 0.00 H new ATOM 807 N GLY A 53 -3.588 0.642 0.140 1.00 0.00 N ATOM 808 CA GLY A 53 -2.742 -0.516 -0.082 1.00 0.00 C ATOM 809 C GLY A 53 -2.347 -0.675 -1.537 1.00 0.00 C ATOM 810 O GLY A 53 -2.163 -1.793 -2.020 1.00 0.00 O ATOM 0 H GLY A 53 -3.116 1.542 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.843 -0.428 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.265 -1.413 0.249 1.00 0.00 H new ATOM 814 N LYS A 54 -2.217 0.445 -2.239 1.00 0.00 N ATOM 815 CA LYS A 54 -1.842 0.427 -3.648 1.00 0.00 C ATOM 816 C LYS A 54 -0.368 0.778 -3.823 1.00 0.00 C ATOM 817 O LYS A 54 0.196 1.540 -3.038 1.00 0.00 O ATOM 818 CB LYS A 54 -2.709 1.408 -4.441 1.00 0.00 C ATOM 819 CG LYS A 54 -2.922 0.998 -5.888 1.00 0.00 C ATOM 820 CD LYS A 54 -4.153 1.664 -6.480 1.00 0.00 C ATOM 821 CE LYS A 54 -4.221 1.471 -7.987 1.00 0.00 C ATOM 822 NZ LYS A 54 -4.818 0.156 -8.351 1.00 0.00 N ATOM 0 H LYS A 54 -2.366 1.378 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.005 -0.581 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.679 1.501 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.244 2.393 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.044 1.265 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.028 -0.085 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.049 1.250 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.138 2.729 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.812 2.273 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.218 1.544 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.847 0.063 -9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.240 -0.610 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.784 0.096 -7.971 1.00 0.00 H new ATOM 836 N ALA A 55 0.250 0.218 -4.858 1.00 0.00 N ATOM 837 CA ALA A 55 1.657 0.476 -5.138 1.00 0.00 C ATOM 838 C ALA A 55 1.831 1.173 -6.483 1.00 0.00 C ATOM 839 O ALA A 55 1.118 0.879 -7.442 1.00 0.00 O ATOM 840 CB ALA A 55 2.447 -0.824 -5.109 1.00 0.00 C ATOM 0 H ALA A 55 -0.202 -0.417 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 55 2.040 1.140 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.496 -0.617 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.358 -1.282 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.053 -1.506 -5.863 1.00 0.00 H new ATOM 846 N PHE A 56 2.782 2.099 -6.545 1.00 0.00 N ATOM 847 CA PHE A 56 3.048 2.840 -7.773 1.00 0.00 C ATOM 848 C PHE A 56 4.548 3.026 -7.982 1.00 0.00 C ATOM 849 O PHE A 56 5.314 3.110 -7.021 1.00 0.00 O ATOM 850 CB PHE A 56 2.355 4.203 -7.731 1.00 0.00 C ATOM 851 CG PHE A 56 0.991 4.163 -7.105 1.00 0.00 C ATOM 852 CD1 PHE A 56 -0.120 3.814 -7.855 1.00 0.00 C ATOM 853 CD2 PHE A 56 0.819 4.476 -5.766 1.00 0.00 C ATOM 854 CE1 PHE A 56 -1.377 3.776 -7.281 1.00 0.00 C ATOM 855 CE2 PHE A 56 -0.435 4.439 -5.187 1.00 0.00 C ATOM 856 CZ PHE A 56 -1.535 4.090 -5.946 1.00 0.00 C ATOM 0 H PHE A 56 3.381 2.354 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 56 2.651 2.264 -8.609 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.980 4.903 -7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.269 4.589 -8.747 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.003 3.569 -8.900 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.675 4.752 -5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.235 3.501 -7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.555 4.683 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.516 4.063 -5.496 1.00 0.00 H new ATOM 866 N ILE A 57 4.961 3.087 -9.243 1.00 0.00 N ATOM 867 CA ILE A 57 6.368 3.263 -9.579 1.00 0.00 C ATOM 868 C ILE A 57 6.762 4.736 -9.543 1.00 0.00 C ATOM 869 O ILE A 57 7.628 5.138 -8.767 1.00 0.00 O ATOM 870 CB ILE A 57 6.691 2.691 -10.972 1.00 0.00 C ATOM 871 CG1 ILE A 57 6.364 1.197 -11.021 1.00 0.00 C ATOM 872 CG2 ILE A 57 8.153 2.931 -11.317 1.00 0.00 C ATOM 873 CD1 ILE A 57 4.947 0.902 -11.458 1.00 0.00 C ATOM 0 H ILE A 57 4.341 3.017 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 57 6.941 2.717 -8.830 1.00 0.00 H new ATOM 0 HB ILE A 57 6.075 3.203 -11.711 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.056 0.704 -11.704 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.528 0.765 -10.034 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.366 2.521 -12.304 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.356 4.002 -11.317 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.786 2.442 -10.577 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.787 -0.176 -11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.248 1.365 -10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.784 1.304 -12.458 1.00 0.00 H new ATOM 885 N GLN A 58 6.118 5.536 -10.387 1.00 0.00 N ATOM 886 CA GLN A 58 6.401 6.965 -10.451 1.00 0.00 C ATOM 887 C GLN A 58 6.020 7.654 -9.145 1.00 0.00 C ATOM 888 O GLN A 58 5.445 7.034 -8.250 1.00 0.00 O ATOM 889 CB GLN A 58 5.646 7.604 -11.617 1.00 0.00 C ATOM 890 CG GLN A 58 6.363 8.799 -12.225 1.00 0.00 C ATOM 891 CD GLN A 58 7.850 8.562 -12.395 1.00 0.00 C ATOM 892 OE1 GLN A 58 8.272 7.515 -12.887 1.00 0.00 O ATOM 893 NE2 GLN A 58 8.655 9.537 -11.989 1.00 0.00 N ATOM 0 H GLN A 58 5.397 5.219 -11.035 1.00 0.00 H new ATOM 0 HA GLN A 58 7.472 7.091 -10.608 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.488 6.853 -12.391 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.661 7.919 -11.272 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.922 9.027 -13.195 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.208 9.672 -11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.262 10.388 -11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.666 9.435 -12.079 1.00 0.00 H new ATOM 902 N ARG A 59 6.346 8.938 -9.042 1.00 0.00 N ATOM 903 CA ARG A 59 6.039 9.711 -7.844 1.00 0.00 C ATOM 904 C ARG A 59 4.633 10.298 -7.921 1.00 0.00 C ATOM 905 O ARG A 59 3.794 10.040 -7.058 1.00 0.00 O ATOM 906 CB ARG A 59 7.062 10.833 -7.660 1.00 0.00 C ATOM 907 CG ARG A 59 6.779 11.725 -6.463 1.00 0.00 C ATOM 908 CD ARG A 59 7.326 11.123 -5.178 1.00 0.00 C ATOM 909 NE ARG A 59 8.779 11.240 -5.094 1.00 0.00 N ATOM 910 CZ ARG A 59 9.457 11.171 -3.954 1.00 0.00 C ATOM 911 NH1 ARG A 59 8.817 10.986 -2.808 1.00 0.00 N ATOM 912 NH2 ARG A 59 10.779 11.286 -3.959 1.00 0.00 N ATOM 0 H ARG A 59 6.823 9.465 -9.774 1.00 0.00 H new ATOM 0 HA ARG A 59 6.087 9.040 -6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.054 10.394 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.083 11.445 -8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.225 12.706 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.704 11.876 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.872 11.622 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.043 10.072 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 59 9.302 11.383 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.801 10.896 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.341 10.933 -1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.275 11.428 -4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.299 11.233 -3.083 1.00 0.00 H new ATOM 926 N SER A 60 4.383 11.088 -8.960 1.00 0.00 N ATOM 927 CA SER A 60 3.080 11.715 -9.147 1.00 0.00 C ATOM 928 C SER A 60 1.962 10.680 -9.066 1.00 0.00 C ATOM 929 O SER A 60 0.960 10.885 -8.380 1.00 0.00 O ATOM 930 CB SER A 60 3.026 12.435 -10.496 1.00 0.00 C ATOM 931 OG SER A 60 1.694 12.774 -10.840 1.00 0.00 O ATOM 0 H SER A 60 5.065 11.309 -9.685 1.00 0.00 H new ATOM 0 HA SER A 60 2.937 12.443 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.635 13.338 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.454 11.797 -11.270 1.00 0.00 H new ATOM 0 HG SER A 60 1.687 13.234 -11.705 1.00 0.00 H new ATOM 937 N HIS A 61 2.142 9.567 -9.770 1.00 0.00 N ATOM 938 CA HIS A 61 1.149 8.498 -9.778 1.00 0.00 C ATOM 939 C HIS A 61 0.464 8.384 -8.419 1.00 0.00 C ATOM 940 O HIS A 61 -0.722 8.060 -8.336 1.00 0.00 O ATOM 941 CB HIS A 61 1.805 7.167 -10.144 1.00 0.00 C ATOM 942 CG HIS A 61 2.408 7.154 -11.515 1.00 0.00 C ATOM 943 ND1 HIS A 61 2.580 8.149 -12.416 1.00 0.00 N flip ATOM 944 CD2 HIS A 61 2.915 6.014 -12.103 1.00 0.00 C flip ATOM 945 CE1 HIS A 61 3.184 7.599 -13.520 1.00 0.00 C flip ATOM 946 NE2 HIS A 61 3.376 6.310 -13.306 1.00 0.00 N flip ATOM 0 H HIS A 61 2.966 9.382 -10.342 1.00 0.00 H new ATOM 0 HA HIS A 61 0.395 8.741 -10.527 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.581 6.940 -9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.061 6.374 -10.076 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.933 5.033 -11.651 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.458 8.134 -14.418 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.807 5.654 -13.958 1.00 0.00 H new ATOM 954 N LEU A 62 1.216 8.652 -7.358 1.00 0.00 N ATOM 955 CA LEU A 62 0.681 8.578 -6.003 1.00 0.00 C ATOM 956 C LEU A 62 0.186 9.944 -5.538 1.00 0.00 C ATOM 957 O LEU A 62 -0.844 10.048 -4.872 1.00 0.00 O ATOM 958 CB LEU A 62 1.749 8.055 -5.040 1.00 0.00 C ATOM 959 CG LEU A 62 1.438 8.202 -3.550 1.00 0.00 C ATOM 960 CD1 LEU A 62 0.326 7.250 -3.140 1.00 0.00 C ATOM 961 CD2 LEU A 62 2.688 7.955 -2.718 1.00 0.00 C ATOM 0 H LEU A 62 2.198 8.923 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.163 7.889 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.917 6.999 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.684 8.575 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 62 1.100 9.222 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.119 7.369 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.574 7.474 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.635 6.223 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.448 8.064 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.056 6.946 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.456 8.678 -2.992 1.00 0.00 H new ATOM 973 N ILE A 63 0.925 10.989 -5.896 1.00 0.00 N ATOM 974 CA ILE A 63 0.559 12.348 -5.518 1.00 0.00 C ATOM 975 C ILE A 63 -0.904 12.632 -5.838 1.00 0.00 C ATOM 976 O ILE A 63 -1.589 13.332 -5.094 1.00 0.00 O ATOM 977 CB ILE A 63 1.441 13.388 -6.234 1.00 0.00 C ATOM 978 CG1 ILE A 63 2.919 13.131 -5.932 1.00 0.00 C ATOM 979 CG2 ILE A 63 1.046 14.796 -5.814 1.00 0.00 C ATOM 980 CD1 ILE A 63 3.229 13.055 -4.453 1.00 0.00 C ATOM 0 H ILE A 63 1.780 10.920 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 63 0.716 12.430 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 63 1.288 13.294 -7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.222 12.198 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.517 13.925 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.678 15.520 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.003 14.975 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.173 14.904 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.294 12.871 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.958 13.997 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.658 12.243 -4.003 1.00 0.00 H new ATOM 992 N GLY A 64 -1.378 12.082 -6.952 1.00 0.00 N ATOM 993 CA GLY A 64 -2.759 12.286 -7.351 1.00 0.00 C ATOM 994 C GLY A 64 -3.709 11.323 -6.667 1.00 0.00 C ATOM 995 O GLY A 64 -4.776 11.720 -6.198 1.00 0.00 O ATOM 0 H GLY A 64 -0.831 11.499 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.054 13.309 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.843 12.168 -8.431 1.00 0.00 H new ATOM 999 N HIS A 65 -3.322 10.053 -6.610 1.00 0.00 N ATOM 1000 CA HIS A 65 -4.148 9.030 -5.979 1.00 0.00 C ATOM 1001 C HIS A 65 -4.611 9.482 -4.597 1.00 0.00 C ATOM 1002 O HIS A 65 -5.770 9.289 -4.226 1.00 0.00 O ATOM 1003 CB HIS A 65 -3.373 7.717 -5.865 1.00 0.00 C ATOM 1004 CG HIS A 65 -3.817 6.856 -4.723 1.00 0.00 C ATOM 1005 ND1 HIS A 65 -4.807 5.904 -4.838 1.00 0.00 N ATOM 1006 CD2 HIS A 65 -3.398 6.806 -3.436 1.00 0.00 C ATOM 1007 CE1 HIS A 65 -4.980 5.307 -3.673 1.00 0.00 C ATOM 1008 NE2 HIS A 65 -4.136 5.836 -2.805 1.00 0.00 N ATOM 0 H HIS A 65 -2.442 9.708 -6.993 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.027 8.871 -6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.483 7.158 -6.794 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.312 7.940 -5.750 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.326 5.693 -5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.627 7.416 -2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.690 4.520 -3.465 1.00 0.00 H new ATOM 1016 N HIS A 66 -3.700 10.084 -3.840 1.00 0.00 N ATOM 1017 CA HIS A 66 -4.015 10.563 -2.499 1.00 0.00 C ATOM 1018 C HIS A 66 -5.422 11.151 -2.449 1.00 0.00 C ATOM 1019 O HIS A 66 -6.127 11.016 -1.449 1.00 0.00 O ATOM 1020 CB HIS A 66 -2.995 11.613 -2.057 1.00 0.00 C ATOM 1021 CG HIS A 66 -1.808 11.034 -1.351 1.00 0.00 C ATOM 1022 ND1 HIS A 66 -0.615 10.759 -1.986 1.00 0.00 N ATOM 1023 CD2 HIS A 66 -1.633 10.679 -0.056 1.00 0.00 C ATOM 1024 CE1 HIS A 66 0.241 10.258 -1.113 1.00 0.00 C ATOM 1025 NE2 HIS A 66 -0.352 10.200 0.066 1.00 0.00 N ATOM 0 H HIS A 66 -2.737 10.252 -4.132 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.970 9.714 -1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.653 12.166 -2.932 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.486 12.330 -1.398 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -0.423 10.918 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.365 10.758 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.253 9.949 -1.327 1.00 0.00 H new ATOM 1033 N ARG A 67 -5.824 11.804 -3.535 1.00 0.00 N ATOM 1034 CA ARG A 67 -7.145 12.415 -3.614 1.00 0.00 C ATOM 1035 C ARG A 67 -8.189 11.544 -2.919 1.00 0.00 C ATOM 1036 O ARG A 67 -9.007 12.038 -2.143 1.00 0.00 O ATOM 1037 CB ARG A 67 -7.542 12.636 -5.075 1.00 0.00 C ATOM 1038 CG ARG A 67 -7.753 11.347 -5.851 1.00 0.00 C ATOM 1039 CD ARG A 67 -8.162 11.623 -7.289 1.00 0.00 C ATOM 1040 NE ARG A 67 -7.954 10.462 -8.150 1.00 0.00 N ATOM 1041 CZ ARG A 67 -8.612 10.262 -9.286 1.00 0.00 C ATOM 1042 NH1 ARG A 67 -9.515 11.141 -9.697 1.00 0.00 N ATOM 1043 NH2 ARG A 67 -8.366 9.180 -10.015 1.00 0.00 N ATOM 0 H ARG A 67 -5.253 11.923 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.103 13.379 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.459 13.224 -5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.768 13.224 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.835 10.759 -5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.521 10.748 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.213 11.912 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.589 12.467 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.265 9.766 -7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.706 11.974 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.019 10.984 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.671 8.502 -9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.872 9.027 -10.887 1.00 0.00 H new ATOM 1057 N VAL A 68 -8.153 10.246 -3.203 1.00 0.00 N ATOM 1058 CA VAL A 68 -9.095 9.307 -2.606 1.00 0.00 C ATOM 1059 C VAL A 68 -9.245 9.556 -1.110 1.00 0.00 C ATOM 1060 O VAL A 68 -10.359 9.669 -0.597 1.00 0.00 O ATOM 1061 CB VAL A 68 -8.651 7.849 -2.830 1.00 0.00 C ATOM 1062 CG1 VAL A 68 -8.569 7.538 -4.317 1.00 0.00 C ATOM 1063 CG2 VAL A 68 -7.317 7.587 -2.149 1.00 0.00 C ATOM 0 H VAL A 68 -7.482 9.821 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.055 9.467 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.396 7.189 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.254 6.504 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.548 7.683 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.846 8.204 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.019 6.552 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.560 8.254 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.414 7.766 -1.078 1.00 0.00 H new ATOM 1073 N HIS A 69 -8.116 9.642 -0.413 1.00 0.00 N ATOM 1074 CA HIS A 69 -8.122 9.879 1.026 1.00 0.00 C ATOM 1075 C HIS A 69 -8.062 11.373 1.330 1.00 0.00 C ATOM 1076 O HIS A 69 -7.835 12.191 0.438 1.00 0.00 O ATOM 1077 CB HIS A 69 -6.943 9.165 1.687 1.00 0.00 C ATOM 1078 CG HIS A 69 -6.735 7.767 1.191 1.00 0.00 C ATOM 1079 ND1 HIS A 69 -7.709 6.792 1.258 1.00 0.00 N ATOM 1080 CD2 HIS A 69 -5.658 7.182 0.616 1.00 0.00 C ATOM 1081 CE1 HIS A 69 -7.239 5.668 0.747 1.00 0.00 C ATOM 1082 NE2 HIS A 69 -5.997 5.878 0.350 1.00 0.00 N ATOM 0 H HIS A 69 -7.186 9.551 -0.822 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.052 9.480 1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.035 9.742 1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.102 9.139 2.765 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -8.645 6.919 1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.709 7.653 0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.779 4.736 0.667 1.00 0.00 H new ATOM 1090 N THR A 70 -8.268 11.723 2.596 1.00 0.00 N ATOM 1091 CA THR A 70 -8.240 13.118 3.018 1.00 0.00 C ATOM 1092 C THR A 70 -7.870 13.239 4.492 1.00 0.00 C ATOM 1093 O THR A 70 -8.487 12.612 5.351 1.00 0.00 O ATOM 1094 CB THR A 70 -9.599 13.804 2.783 1.00 0.00 C ATOM 1095 OG1 THR A 70 -10.040 13.571 1.441 1.00 0.00 O ATOM 1096 CG2 THR A 70 -9.501 15.300 3.038 1.00 0.00 C ATOM 0 H THR A 70 -8.456 11.059 3.347 1.00 0.00 H new ATOM 0 HA THR A 70 -7.482 13.616 2.414 1.00 0.00 H new ATOM 0 HB THR A 70 -10.321 13.379 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.905 14.009 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.473 15.763 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.194 15.474 4.069 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.766 15.737 2.362 1.00 0.00 H new ATOM 1104 N GLY A 71 -6.857 14.052 4.778 1.00 0.00 N ATOM 1105 CA GLY A 71 -6.423 14.241 6.150 1.00 0.00 C ATOM 1106 C GLY A 71 -5.792 15.601 6.376 1.00 0.00 C ATOM 1107 O GLY A 71 -5.898 16.490 5.531 1.00 0.00 O ATOM 0 H GLY A 71 -6.330 14.583 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.277 14.125 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.706 13.463 6.411 1.00 0.00 H new ATOM 1111 N SER A 72 -5.135 15.764 7.520 1.00 0.00 N ATOM 1112 CA SER A 72 -4.490 17.027 7.857 1.00 0.00 C ATOM 1113 C SER A 72 -2.997 16.975 7.547 1.00 0.00 C ATOM 1114 O SER A 72 -2.296 16.054 7.965 1.00 0.00 O ATOM 1115 CB SER A 72 -4.703 17.354 9.337 1.00 0.00 C ATOM 1116 OG SER A 72 -3.817 16.611 10.156 1.00 0.00 O ATOM 0 H SER A 72 -5.036 15.037 8.229 1.00 0.00 H new ATOM 0 HA SER A 72 -4.943 17.811 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.549 18.420 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.733 17.134 9.617 1.00 0.00 H new ATOM 0 HG SER A 72 -3.120 16.205 9.600 1.00 0.00 H new ATOM 1122 N GLY A 73 -2.517 17.971 6.809 1.00 0.00 N ATOM 1123 CA GLY A 73 -1.110 18.020 6.454 1.00 0.00 C ATOM 1124 C GLY A 73 -0.893 18.354 4.991 1.00 0.00 C ATOM 1125 O GLY A 73 -1.750 18.945 4.333 1.00 0.00 O ATOM 0 H GLY A 73 -3.077 18.745 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.608 18.765 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.649 17.058 6.676 1.00 0.00 H new ATOM 1129 N PRO A 74 0.278 17.972 4.461 1.00 0.00 N ATOM 1130 CA PRO A 74 0.633 18.225 3.061 1.00 0.00 C ATOM 1131 C PRO A 74 -0.191 17.384 2.093 1.00 0.00 C ATOM 1132 O PRO A 74 0.205 16.278 1.725 1.00 0.00 O ATOM 1133 CB PRO A 74 2.110 17.827 2.992 1.00 0.00 C ATOM 1134 CG PRO A 74 2.288 16.840 4.093 1.00 0.00 C ATOM 1135 CD PRO A 74 1.346 17.264 5.186 1.00 0.00 C ATOM 0 HA PRO A 74 0.442 19.259 2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.357 17.390 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.760 18.692 3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.061 15.830 3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.319 16.832 4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.958 16.407 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.838 17.913 5.911 1.00 0.00 H new ATOM 1143 N SER A 75 -1.338 17.915 1.683 1.00 0.00 N ATOM 1144 CA SER A 75 -2.220 17.211 0.759 1.00 0.00 C ATOM 1145 C SER A 75 -3.318 18.137 0.244 1.00 0.00 C ATOM 1146 O SER A 75 -3.856 18.955 0.990 1.00 0.00 O ATOM 1147 CB SER A 75 -2.843 15.993 1.444 1.00 0.00 C ATOM 1148 OG SER A 75 -3.674 15.275 0.549 1.00 0.00 O ATOM 0 H SER A 75 -1.679 18.831 1.976 1.00 0.00 H new ATOM 0 HA SER A 75 -1.624 16.876 -0.090 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.055 15.339 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.426 16.315 2.307 1.00 0.00 H new ATOM 0 HG SER A 75 -4.059 14.500 1.010 1.00 0.00 H new ATOM 1154 N SER A 76 -3.645 18.001 -1.037 1.00 0.00 N ATOM 1155 CA SER A 76 -4.676 18.827 -1.654 1.00 0.00 C ATOM 1156 C SER A 76 -5.817 17.964 -2.187 1.00 0.00 C ATOM 1157 O SER A 76 -5.595 17.023 -2.948 1.00 0.00 O ATOM 1158 CB SER A 76 -4.080 19.661 -2.789 1.00 0.00 C ATOM 1159 OG SER A 76 -4.900 20.778 -3.087 1.00 0.00 O ATOM 0 H SER A 76 -3.211 17.327 -1.668 1.00 0.00 H new ATOM 0 HA SER A 76 -5.075 19.496 -0.892 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.083 20.002 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.967 19.042 -3.679 1.00 0.00 H new ATOM 0 HG SER A 76 -4.496 21.296 -3.815 1.00 0.00 H new ATOM 1165 N GLY A 77 -7.039 18.293 -1.780 1.00 0.00 N ATOM 1166 CA GLY A 77 -8.197 17.540 -2.225 1.00 0.00 C ATOM 1167 C GLY A 77 -8.974 16.936 -1.073 1.00 0.00 C ATOM 1168 O GLY A 77 -8.760 17.338 0.070 1.00 0.00 O ATOM 0 H GLY A 77 -7.248 19.068 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.854 18.194 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.873 16.745 -2.897 1.00 0.00 H new TER 1172 GLY A 77 HETATM 1173 ZN ZN A 201 10.688 3.925 3.865 1.00 0.00 ZN HETATM 1174 ZN ZN A 401 -4.636 5.063 -0.978 1.00 0.00 ZN