USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 564 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 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 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 Set 1.1: A 50 HIS : no HE2:sc= -2.76 X(o=-3.1,f=-3!) USER MOD Set 1.2: A 71 TYR OH : rot 130:sc= -0.305 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.0557 USER MOD Single : A 10 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 11 SER OG : rot 180:sc= -0.189 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.24) USER MOD Single : A 26 THR OG1 : rot -10:sc= 0.343! USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.113 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 156:sc= -0.615 (180deg=-1.85!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc=-0.00901 (180deg=-0.173) USER MOD Single : A 47 HIS : no HD1:sc= -0.519 K(o=-0.52,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 117:sc= 1.31 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0696) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= -0.118 (180deg=-0.522) USER MOD Single : A 68 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.08) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 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 -42.873 -24.773 -4.410 1.00 0.00 N ATOM 2 CA GLY A 1 -41.520 -24.274 -4.249 1.00 0.00 C ATOM 3 C GLY A 1 -41.259 -23.029 -5.073 1.00 0.00 C ATOM 4 O GLY A 1 -40.552 -23.080 -6.080 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.001 -25.624 -3.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 -43.550 -24.043 -4.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.039 -25.010 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.340 -24.054 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.813 -25.052 -4.537 1.00 0.00 H new ATOM 8 N SER A 2 -41.832 -21.908 -4.647 1.00 0.00 N ATOM 9 CA SER A 2 -41.662 -20.645 -5.356 1.00 0.00 C ATOM 10 C SER A 2 -40.349 -19.975 -4.964 1.00 0.00 C ATOM 11 O SER A 2 -39.867 -20.135 -3.842 1.00 0.00 O ATOM 12 CB SER A 2 -42.834 -19.708 -5.060 1.00 0.00 C ATOM 13 OG SER A 2 -42.673 -19.069 -3.806 1.00 0.00 O ATOM 0 H SER A 2 -42.418 -21.849 -3.814 1.00 0.00 H new ATOM 0 HA SER A 2 -41.637 -20.857 -6.425 1.00 0.00 H new ATOM 0 HB2 SER A 2 -42.911 -18.957 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 2 -43.766 -20.273 -5.066 1.00 0.00 H new ATOM 0 HG SER A 2 -43.435 -18.474 -3.642 1.00 0.00 H new ATOM 19 N SER A 3 -39.774 -19.222 -5.897 1.00 0.00 N ATOM 20 CA SER A 3 -38.514 -18.530 -5.652 1.00 0.00 C ATOM 21 C SER A 3 -38.590 -17.081 -6.125 1.00 0.00 C ATOM 22 O SER A 3 -38.934 -16.809 -7.274 1.00 0.00 O ATOM 23 CB SER A 3 -37.365 -19.250 -6.360 1.00 0.00 C ATOM 24 OG SER A 3 -37.021 -20.448 -5.686 1.00 0.00 O ATOM 0 H SER A 3 -40.161 -19.076 -6.829 1.00 0.00 H new ATOM 0 HA SER A 3 -38.328 -18.535 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.652 -19.476 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.496 -18.594 -6.409 1.00 0.00 H new ATOM 0 HG SER A 3 -36.286 -20.890 -6.159 1.00 0.00 H new ATOM 30 N GLY A 4 -38.265 -16.155 -5.228 1.00 0.00 N ATOM 31 CA GLY A 4 -38.302 -14.745 -5.571 1.00 0.00 C ATOM 32 C GLY A 4 -37.144 -13.972 -4.972 1.00 0.00 C ATOM 33 O GLY A 4 -37.340 -12.918 -4.367 1.00 0.00 O ATOM 0 H GLY A 4 -37.977 -16.356 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.284 -14.638 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.241 -14.314 -5.223 1.00 0.00 H new ATOM 37 N SER A 5 -35.934 -14.496 -5.140 1.00 0.00 N ATOM 38 CA SER A 5 -34.741 -13.851 -4.606 1.00 0.00 C ATOM 39 C SER A 5 -34.332 -12.663 -5.471 1.00 0.00 C ATOM 40 O SER A 5 -34.705 -12.576 -6.641 1.00 0.00 O ATOM 41 CB SER A 5 -33.588 -14.854 -4.519 1.00 0.00 C ATOM 42 OG SER A 5 -32.995 -15.059 -5.789 1.00 0.00 O ATOM 0 H SER A 5 -35.754 -15.366 -5.642 1.00 0.00 H new ATOM 0 HA SER A 5 -34.973 -13.487 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.837 -14.490 -3.818 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.956 -15.803 -4.128 1.00 0.00 H new ATOM 0 HG SER A 5 -32.260 -15.702 -5.707 1.00 0.00 H new ATOM 48 N SER A 6 -33.564 -11.749 -4.887 1.00 0.00 N ATOM 49 CA SER A 6 -33.107 -10.564 -5.602 1.00 0.00 C ATOM 50 C SER A 6 -32.084 -10.935 -6.671 1.00 0.00 C ATOM 51 O SER A 6 -32.265 -10.634 -7.850 1.00 0.00 O ATOM 52 CB SER A 6 -32.498 -9.556 -4.625 1.00 0.00 C ATOM 53 OG SER A 6 -32.470 -8.255 -5.186 1.00 0.00 O ATOM 0 H SER A 6 -33.245 -11.807 -3.920 1.00 0.00 H new ATOM 0 HA SER A 6 -33.969 -10.110 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.077 -9.545 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.486 -9.864 -4.363 1.00 0.00 H new ATOM 0 HG SER A 6 -32.078 -7.629 -4.542 1.00 0.00 H new ATOM 59 N GLY A 7 -31.007 -11.592 -6.249 1.00 0.00 N ATOM 60 CA GLY A 7 -29.971 -11.993 -7.182 1.00 0.00 C ATOM 61 C GLY A 7 -28.581 -11.639 -6.691 1.00 0.00 C ATOM 62 O GLY A 7 -28.338 -10.515 -6.251 1.00 0.00 O ATOM 0 H GLY A 7 -30.834 -11.853 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.032 -13.069 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.147 -11.512 -8.144 1.00 0.00 H new ATOM 66 N ARG A 8 -27.666 -12.600 -6.765 1.00 0.00 N ATOM 67 CA ARG A 8 -26.294 -12.385 -6.322 1.00 0.00 C ATOM 68 C ARG A 8 -25.493 -11.630 -7.380 1.00 0.00 C ATOM 69 O ARG A 8 -25.728 -11.783 -8.579 1.00 0.00 O ATOM 70 CB ARG A 8 -25.618 -13.723 -6.015 1.00 0.00 C ATOM 71 CG ARG A 8 -25.805 -14.183 -4.579 1.00 0.00 C ATOM 72 CD ARG A 8 -27.085 -14.987 -4.413 1.00 0.00 C ATOM 73 NE ARG A 8 -27.532 -15.024 -3.023 1.00 0.00 N ATOM 74 CZ ARG A 8 -28.355 -15.948 -2.540 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.818 -16.906 -3.331 1.00 0.00 N ATOM 76 NH2 ARG A 8 -28.717 -15.914 -1.264 1.00 0.00 N ATOM 0 H ARG A 8 -27.850 -13.535 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 8 -26.323 -11.783 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.016 -14.484 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.552 -13.639 -6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.951 -14.789 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.830 -13.316 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.869 -14.553 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.923 -16.004 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 8 -27.194 -14.301 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.542 -16.935 -4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.450 -17.614 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.363 -15.178 -0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.349 -16.624 -0.894 1.00 0.00 H new ATOM 90 N THR A 9 -24.548 -10.812 -6.927 1.00 0.00 N ATOM 91 CA THR A 9 -23.714 -10.032 -7.833 1.00 0.00 C ATOM 92 C THR A 9 -22.241 -10.141 -7.455 1.00 0.00 C ATOM 93 O THR A 9 -21.874 -9.978 -6.291 1.00 0.00 O ATOM 94 CB THR A 9 -24.124 -8.547 -7.834 1.00 0.00 C ATOM 95 OG1 THR A 9 -23.987 -8.000 -6.518 1.00 0.00 O ATOM 96 CG2 THR A 9 -25.559 -8.382 -8.311 1.00 0.00 C ATOM 0 H THR A 9 -24.341 -10.673 -5.938 1.00 0.00 H new ATOM 0 HA THR A 9 -23.861 -10.443 -8.832 1.00 0.00 H new ATOM 0 HB THR A 9 -23.467 -8.012 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 9 -23.218 -8.412 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 9 -25.826 -7.325 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 9 -25.653 -8.772 -9.324 1.00 0.00 H new ATOM 0 HG23 THR A 9 -26.228 -8.930 -7.648 1.00 0.00 H new ATOM 104 N HIS A 10 -21.400 -10.416 -8.447 1.00 0.00 N ATOM 105 CA HIS A 10 -19.965 -10.545 -8.219 1.00 0.00 C ATOM 106 C HIS A 10 -19.312 -9.174 -8.079 1.00 0.00 C ATOM 107 O HIS A 10 -19.759 -8.198 -8.681 1.00 0.00 O ATOM 108 CB HIS A 10 -19.312 -11.320 -9.364 1.00 0.00 C ATOM 109 CG HIS A 10 -17.836 -11.507 -9.196 1.00 0.00 C ATOM 110 ND1 HIS A 10 -17.288 -12.405 -8.304 1.00 0.00 N ATOM 111 CD2 HIS A 10 -16.792 -10.907 -9.813 1.00 0.00 C ATOM 112 CE1 HIS A 10 -15.970 -12.348 -8.379 1.00 0.00 C ATOM 113 NE2 HIS A 10 -15.643 -11.446 -9.287 1.00 0.00 N ATOM 0 H HIS A 10 -21.687 -10.554 -9.416 1.00 0.00 H new ATOM 0 HA HIS A 10 -19.818 -11.094 -7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -19.787 -12.298 -9.447 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -19.499 -10.794 -10.300 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -16.851 -10.146 -10.577 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -15.278 -12.938 -7.797 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -14.692 -11.191 -9.554 1.00 0.00 H new ATOM 121 N SER A 11 -18.251 -9.107 -7.281 1.00 0.00 N ATOM 122 CA SER A 11 -17.538 -7.855 -7.059 1.00 0.00 C ATOM 123 C SER A 11 -16.088 -8.117 -6.665 1.00 0.00 C ATOM 124 O SER A 11 -15.812 -8.676 -5.605 1.00 0.00 O ATOM 125 CB SER A 11 -18.234 -7.034 -5.971 1.00 0.00 C ATOM 126 OG SER A 11 -19.607 -6.849 -6.271 1.00 0.00 O ATOM 0 H SER A 11 -17.866 -9.906 -6.777 1.00 0.00 H new ATOM 0 HA SER A 11 -17.546 -7.291 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.133 -7.539 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.746 -6.064 -5.875 1.00 0.00 H new ATOM 0 HG SER A 11 -20.029 -6.323 -5.560 1.00 0.00 H new ATOM 132 N GLY A 12 -15.163 -7.707 -7.528 1.00 0.00 N ATOM 133 CA GLY A 12 -13.752 -7.906 -7.254 1.00 0.00 C ATOM 134 C GLY A 12 -12.869 -7.437 -8.393 1.00 0.00 C ATOM 135 O GLY A 12 -12.288 -8.251 -9.111 1.00 0.00 O ATOM 0 H GLY A 12 -15.366 -7.241 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.482 -7.369 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.567 -8.964 -7.067 1.00 0.00 H new ATOM 139 N GLU A 13 -12.768 -6.122 -8.559 1.00 0.00 N ATOM 140 CA GLU A 13 -11.950 -5.548 -9.621 1.00 0.00 C ATOM 141 C GLU A 13 -10.595 -5.099 -9.082 1.00 0.00 C ATOM 142 O GLU A 13 -9.568 -5.254 -9.744 1.00 0.00 O ATOM 143 CB GLU A 13 -12.672 -4.363 -10.267 1.00 0.00 C ATOM 144 CG GLU A 13 -13.004 -3.247 -9.290 1.00 0.00 C ATOM 145 CD GLU A 13 -14.247 -3.539 -8.471 1.00 0.00 C ATOM 146 OE1 GLU A 13 -15.249 -3.998 -9.058 1.00 0.00 O ATOM 147 OE2 GLU A 13 -14.217 -3.309 -7.244 1.00 0.00 O ATOM 0 H GLU A 13 -13.242 -5.435 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.785 -6.319 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.050 -3.961 -11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.594 -4.717 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.159 -3.093 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.147 -2.317 -9.841 1.00 0.00 H new ATOM 154 N LYS A 14 -10.600 -4.542 -7.876 1.00 0.00 N ATOM 155 CA LYS A 14 -9.372 -4.071 -7.246 1.00 0.00 C ATOM 156 C LYS A 14 -9.420 -4.282 -5.736 1.00 0.00 C ATOM 157 O LYS A 14 -10.151 -3.604 -5.013 1.00 0.00 O ATOM 158 CB LYS A 14 -9.151 -2.589 -7.557 1.00 0.00 C ATOM 159 CG LYS A 14 -8.642 -2.333 -8.965 1.00 0.00 C ATOM 160 CD LYS A 14 -8.982 -0.929 -9.435 1.00 0.00 C ATOM 161 CE LYS A 14 -8.189 -0.549 -10.676 1.00 0.00 C ATOM 162 NZ LYS A 14 -8.467 0.850 -11.104 1.00 0.00 N ATOM 0 H LYS A 14 -11.441 -4.406 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.541 -4.649 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.089 -2.053 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.438 -2.178 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.562 -2.475 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.078 -3.062 -9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.049 -0.864 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.774 -0.217 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.124 -0.663 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.435 -1.233 -11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.908 1.071 -11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.479 0.952 -11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.208 1.505 -10.339 1.00 0.00 H new ATOM 176 N PRO A 15 -8.624 -5.244 -5.246 1.00 0.00 N ATOM 177 CA PRO A 15 -8.557 -5.564 -3.817 1.00 0.00 C ATOM 178 C PRO A 15 -7.887 -4.460 -3.006 1.00 0.00 C ATOM 179 O PRO A 15 -7.718 -4.583 -1.793 1.00 0.00 O ATOM 180 CB PRO A 15 -7.714 -6.842 -3.780 1.00 0.00 C ATOM 181 CG PRO A 15 -6.883 -6.784 -5.015 1.00 0.00 C ATOM 182 CD PRO A 15 -7.727 -6.092 -6.049 1.00 0.00 C ATOM 0 HA PRO A 15 -9.548 -5.677 -3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.092 -6.880 -2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.344 -7.731 -3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.957 -6.237 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.604 -7.785 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.119 -5.499 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.285 -6.806 -6.655 1.00 0.00 H new ATOM 190 N TYR A 16 -7.507 -3.383 -3.684 1.00 0.00 N ATOM 191 CA TYR A 16 -6.854 -2.257 -3.026 1.00 0.00 C ATOM 192 C TYR A 16 -7.492 -0.936 -3.444 1.00 0.00 C ATOM 193 O TYR A 16 -8.056 -0.824 -4.532 1.00 0.00 O ATOM 194 CB TYR A 16 -5.361 -2.243 -3.357 1.00 0.00 C ATOM 195 CG TYR A 16 -4.572 -3.320 -2.647 1.00 0.00 C ATOM 196 CD1 TYR A 16 -4.127 -3.136 -1.343 1.00 0.00 C ATOM 197 CD2 TYR A 16 -4.272 -4.520 -3.279 1.00 0.00 C ATOM 198 CE1 TYR A 16 -3.405 -4.117 -0.690 1.00 0.00 C ATOM 199 CE2 TYR A 16 -3.552 -5.507 -2.633 1.00 0.00 C ATOM 200 CZ TYR A 16 -3.121 -5.301 -1.339 1.00 0.00 C ATOM 201 OH TYR A 16 -2.403 -6.281 -0.693 1.00 0.00 O ATOM 0 H TYR A 16 -7.640 -3.266 -4.688 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.980 -2.375 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.235 -2.362 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.948 -1.269 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.349 -2.211 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.607 -4.684 -4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.065 -3.958 0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.328 -6.435 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.291 -7.051 -1.289 1.00 0.00 H new ATOM 211 N GLU A 17 -7.397 0.062 -2.571 1.00 0.00 N ATOM 212 CA GLU A 17 -7.966 1.376 -2.849 1.00 0.00 C ATOM 213 C GLU A 17 -7.358 2.436 -1.935 1.00 0.00 C ATOM 214 O GLU A 17 -7.115 2.188 -0.754 1.00 0.00 O ATOM 215 CB GLU A 17 -9.485 1.346 -2.674 1.00 0.00 C ATOM 216 CG GLU A 17 -10.160 2.671 -2.989 1.00 0.00 C ATOM 217 CD GLU A 17 -11.557 2.767 -2.407 1.00 0.00 C ATOM 218 OE1 GLU A 17 -11.808 2.136 -1.359 1.00 0.00 O ATOM 219 OE2 GLU A 17 -12.399 3.473 -3.000 1.00 0.00 O ATOM 0 H GLU A 17 -6.932 -0.014 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.732 1.634 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.902 0.573 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.719 1.064 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.551 3.486 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.211 2.800 -4.070 1.00 0.00 H new ATOM 226 N CYS A 18 -7.115 3.618 -2.490 1.00 0.00 N ATOM 227 CA CYS A 18 -6.535 4.717 -1.728 1.00 0.00 C ATOM 228 C CYS A 18 -7.568 5.331 -0.787 1.00 0.00 C ATOM 229 O CYS A 18 -8.633 5.771 -1.219 1.00 0.00 O ATOM 230 CB CYS A 18 -5.989 5.789 -2.673 1.00 0.00 C ATOM 231 SG CYS A 18 -5.078 7.126 -1.834 1.00 0.00 S ATOM 0 H CYS A 18 -7.311 3.840 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.716 4.318 -1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.330 5.315 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.819 6.223 -3.231 1.00 0.00 H new ATOM 236 N TYR A 19 -7.245 5.356 0.502 1.00 0.00 N ATOM 237 CA TYR A 19 -8.145 5.913 1.505 1.00 0.00 C ATOM 238 C TYR A 19 -8.013 7.432 1.571 1.00 0.00 C ATOM 239 O TYR A 19 -8.390 8.056 2.563 1.00 0.00 O ATOM 240 CB TYR A 19 -7.852 5.305 2.877 1.00 0.00 C ATOM 241 CG TYR A 19 -6.381 5.071 3.135 1.00 0.00 C ATOM 242 CD1 TYR A 19 -5.489 6.134 3.200 1.00 0.00 C ATOM 243 CD2 TYR A 19 -5.883 3.786 3.314 1.00 0.00 C ATOM 244 CE1 TYR A 19 -4.144 5.925 3.434 1.00 0.00 C ATOM 245 CE2 TYR A 19 -4.539 3.567 3.550 1.00 0.00 C ATOM 246 CZ TYR A 19 -3.674 4.640 3.609 1.00 0.00 C ATOM 247 OH TYR A 19 -2.335 4.427 3.844 1.00 0.00 O ATOM 0 H TYR A 19 -6.367 4.997 0.876 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.167 5.667 1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.247 5.965 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.383 4.357 2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.854 7.142 3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.558 2.944 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.464 6.763 3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.168 2.562 3.687 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.169 3.466 3.946 1.00 0.00 H new ATOM 257 N ILE A 20 -7.477 8.020 0.507 1.00 0.00 N ATOM 258 CA ILE A 20 -7.297 9.465 0.442 1.00 0.00 C ATOM 259 C ILE A 20 -8.142 10.075 -0.671 1.00 0.00 C ATOM 260 O ILE A 20 -8.905 11.014 -0.442 1.00 0.00 O ATOM 261 CB ILE A 20 -5.820 9.838 0.214 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.940 9.215 1.298 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.654 11.351 0.193 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.460 9.290 0.993 1.00 0.00 C ATOM 0 H ILE A 20 -7.160 7.518 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.621 9.867 1.402 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.506 9.443 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.133 9.719 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.223 8.171 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.605 11.600 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.255 11.772 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.982 11.766 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.897 8.829 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.253 8.762 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.162 10.334 0.892 1.00 0.00 H new ATOM 276 N CYS A 21 -8.003 9.533 -1.876 1.00 0.00 N ATOM 277 CA CYS A 21 -8.754 10.022 -3.026 1.00 0.00 C ATOM 278 C CYS A 21 -9.750 8.973 -3.511 1.00 0.00 C ATOM 279 O CYS A 21 -10.509 9.210 -4.452 1.00 0.00 O ATOM 280 CB CYS A 21 -7.801 10.401 -4.161 1.00 0.00 C ATOM 281 SG CYS A 21 -6.885 8.991 -4.864 1.00 0.00 S ATOM 0 H CYS A 21 -7.377 8.754 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.308 10.908 -2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.372 10.882 -4.955 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.087 11.137 -3.791 1.00 0.00 H new ATOM 286 N HIS A 22 -9.742 7.813 -2.863 1.00 0.00 N ATOM 287 CA HIS A 22 -10.644 6.727 -3.228 1.00 0.00 C ATOM 288 C HIS A 22 -10.233 6.101 -4.557 1.00 0.00 C ATOM 289 O HIS A 22 -11.065 5.556 -5.282 1.00 0.00 O ATOM 290 CB HIS A 22 -12.082 7.238 -3.315 1.00 0.00 C ATOM 291 CG HIS A 22 -12.477 8.116 -2.168 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.802 7.624 -0.921 1.00 0.00 N ATOM 293 CD2 HIS A 22 -12.596 9.462 -2.082 1.00 0.00 C ATOM 294 CE1 HIS A 22 -13.105 8.629 -0.119 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.988 9.755 -0.799 1.00 0.00 N ATOM 0 H HIS A 22 -9.121 7.601 -2.082 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.584 5.963 -2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.206 7.792 -4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.760 6.385 -3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -12.416 10.173 -2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.399 8.544 0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.161 10.690 -0.431 1.00 0.00 H new ATOM 303 N ALA A 23 -8.944 6.183 -4.870 1.00 0.00 N ATOM 304 CA ALA A 23 -8.422 5.624 -6.111 1.00 0.00 C ATOM 305 C ALA A 23 -8.162 4.128 -5.973 1.00 0.00 C ATOM 306 O ALA A 23 -7.237 3.711 -5.276 1.00 0.00 O ATOM 307 CB ALA A 23 -7.148 6.348 -6.521 1.00 0.00 C ATOM 0 H ALA A 23 -8.242 6.631 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.173 5.765 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.769 5.920 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.363 7.406 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.398 6.237 -5.738 1.00 0.00 H new ATOM 313 N ARG A 24 -8.985 3.325 -6.640 1.00 0.00 N ATOM 314 CA ARG A 24 -8.844 1.875 -6.589 1.00 0.00 C ATOM 315 C ARG A 24 -7.565 1.427 -7.291 1.00 0.00 C ATOM 316 O ARG A 24 -7.110 2.066 -8.240 1.00 0.00 O ATOM 317 CB ARG A 24 -10.056 1.201 -7.235 1.00 0.00 C ATOM 318 CG ARG A 24 -11.388 1.691 -6.691 1.00 0.00 C ATOM 319 CD ARG A 24 -11.865 0.832 -5.531 1.00 0.00 C ATOM 320 NE ARG A 24 -13.311 0.922 -5.342 1.00 0.00 N ATOM 321 CZ ARG A 24 -13.940 0.467 -4.264 1.00 0.00 C ATOM 322 NH1 ARG A 24 -13.255 -0.106 -3.284 1.00 0.00 N ATOM 323 NH2 ARG A 24 -15.258 0.585 -4.165 1.00 0.00 N ATOM 0 H ARG A 24 -9.756 3.654 -7.222 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.786 1.578 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.027 1.374 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.986 0.124 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.290 2.726 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.134 1.678 -7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.587 -0.206 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.360 1.144 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.868 1.358 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.242 -0.199 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.741 -0.454 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.789 1.025 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.741 0.235 -3.337 1.00 0.00 H new ATOM 337 N PHE A 25 -6.990 0.327 -6.817 1.00 0.00 N ATOM 338 CA PHE A 25 -5.763 -0.205 -7.398 1.00 0.00 C ATOM 339 C PHE A 25 -5.818 -1.727 -7.485 1.00 0.00 C ATOM 340 O PHE A 25 -6.267 -2.399 -6.555 1.00 0.00 O ATOM 341 CB PHE A 25 -4.552 0.226 -6.567 1.00 0.00 C ATOM 342 CG PHE A 25 -4.216 1.683 -6.710 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.341 2.113 -7.695 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.775 2.623 -5.859 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.030 3.453 -7.827 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.467 3.964 -5.986 1.00 0.00 C ATOM 347 CZ PHE A 25 -3.594 4.380 -6.973 1.00 0.00 C ATOM 0 H PHE A 25 -7.354 -0.213 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.664 0.196 -8.407 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.745 0.007 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.688 -0.369 -6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.897 1.393 -8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.460 2.304 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.346 3.775 -8.598 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.908 4.686 -5.315 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.353 5.428 -7.076 1.00 0.00 H new ATOM 357 N THR A 26 -5.358 -2.267 -8.610 1.00 0.00 N ATOM 358 CA THR A 26 -5.356 -3.709 -8.820 1.00 0.00 C ATOM 359 C THR A 26 -4.201 -4.371 -8.079 1.00 0.00 C ATOM 360 O THR A 26 -4.196 -5.586 -7.879 1.00 0.00 O ATOM 361 CB THR A 26 -5.257 -4.057 -10.318 1.00 0.00 C ATOM 362 OG1 THR A 26 -5.070 -5.468 -10.481 1.00 0.00 O ATOM 363 CG2 THR A 26 -4.107 -3.309 -10.973 1.00 0.00 C ATOM 0 H THR A 26 -4.982 -1.727 -9.389 1.00 0.00 H new ATOM 0 HA THR A 26 -6.300 -4.087 -8.427 1.00 0.00 H new ATOM 0 HB THR A 26 -6.186 -3.755 -10.801 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.884 -5.876 -9.610 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.057 -3.571 -12.030 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.267 -2.236 -10.872 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.171 -3.583 -10.487 1.00 0.00 H new ATOM 371 N GLN A 27 -3.225 -3.566 -7.672 1.00 0.00 N ATOM 372 CA GLN A 27 -2.064 -4.076 -6.952 1.00 0.00 C ATOM 373 C GLN A 27 -1.788 -3.242 -5.706 1.00 0.00 C ATOM 374 O GLN A 27 -2.279 -2.121 -5.575 1.00 0.00 O ATOM 375 CB GLN A 27 -0.834 -4.079 -7.862 1.00 0.00 C ATOM 376 CG GLN A 27 -0.992 -4.954 -9.095 1.00 0.00 C ATOM 377 CD GLN A 27 0.258 -4.983 -9.953 1.00 0.00 C ATOM 378 OE1 GLN A 27 1.121 -5.844 -9.784 1.00 0.00 O ATOM 379 NE2 GLN A 27 0.360 -4.039 -10.881 1.00 0.00 N ATOM 0 H GLN A 27 -3.215 -2.558 -7.828 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.280 -5.099 -6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.623 -3.057 -8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.029 -4.422 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.240 -5.969 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.829 -4.589 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.380 -3.345 -10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.178 -4.008 -11.489 1.00 0.00 H new ATOM 388 N SER A 28 -0.998 -3.796 -4.792 1.00 0.00 N ATOM 389 CA SER A 28 -0.659 -3.105 -3.553 1.00 0.00 C ATOM 390 C SER A 28 0.487 -2.123 -3.775 1.00 0.00 C ATOM 391 O SER A 28 0.462 -0.999 -3.275 1.00 0.00 O ATOM 392 CB SER A 28 -0.278 -4.115 -2.469 1.00 0.00 C ATOM 393 OG SER A 28 1.020 -4.637 -2.692 1.00 0.00 O ATOM 0 H SER A 28 -0.580 -4.722 -4.886 1.00 0.00 H new ATOM 0 HA SER A 28 -1.535 -2.545 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.317 -3.636 -1.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.003 -4.929 -2.455 1.00 0.00 H new ATOM 0 HG SER A 28 1.240 -5.279 -1.985 1.00 0.00 H new ATOM 399 N GLY A 29 1.492 -2.557 -4.529 1.00 0.00 N ATOM 400 CA GLY A 29 2.634 -1.705 -4.805 1.00 0.00 C ATOM 401 C GLY A 29 2.241 -0.412 -5.491 1.00 0.00 C ATOM 402 O GLY A 29 2.711 0.664 -5.122 1.00 0.00 O ATOM 0 H GLY A 29 1.536 -3.483 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.146 -1.476 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.343 -2.245 -5.433 1.00 0.00 H new ATOM 406 N THR A 30 1.376 -0.516 -6.495 1.00 0.00 N ATOM 407 CA THR A 30 0.921 0.653 -7.237 1.00 0.00 C ATOM 408 C THR A 30 0.217 1.647 -6.320 1.00 0.00 C ATOM 409 O THR A 30 0.464 2.850 -6.388 1.00 0.00 O ATOM 410 CB THR A 30 -0.036 0.258 -8.378 1.00 0.00 C ATOM 411 OG1 THR A 30 0.650 -0.562 -9.331 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.591 1.493 -9.070 1.00 0.00 C ATOM 0 H THR A 30 0.976 -1.399 -6.813 1.00 0.00 H new ATOM 0 HA THR A 30 1.808 1.121 -7.663 1.00 0.00 H new ATOM 0 HB THR A 30 -0.867 -0.302 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.035 -0.810 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.264 1.189 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.137 2.100 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.230 2.076 -9.487 1.00 0.00 H new ATOM 420 N MET A 31 -0.660 1.135 -5.462 1.00 0.00 N ATOM 421 CA MET A 31 -1.398 1.978 -4.530 1.00 0.00 C ATOM 422 C MET A 31 -0.446 2.720 -3.597 1.00 0.00 C ATOM 423 O MET A 31 -0.453 3.949 -3.533 1.00 0.00 O ATOM 424 CB MET A 31 -2.378 1.135 -3.712 1.00 0.00 C ATOM 425 CG MET A 31 -3.375 1.963 -2.918 1.00 0.00 C ATOM 426 SD MET A 31 -4.284 0.982 -1.708 1.00 0.00 S ATOM 427 CE MET A 31 -2.936 0.180 -0.842 1.00 0.00 C ATOM 0 H MET A 31 -0.876 0.141 -5.393 1.00 0.00 H new ATOM 0 HA MET A 31 -1.958 2.713 -5.109 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.922 0.471 -4.384 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.815 0.502 -3.026 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.847 2.767 -2.405 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.081 2.432 -3.604 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.264 -0.104 0.158 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.630 -0.711 -1.390 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.093 0.866 -0.766 1.00 0.00 H new ATOM 437 N LYS A 32 0.374 1.964 -2.873 1.00 0.00 N ATOM 438 CA LYS A 32 1.333 2.549 -1.943 1.00 0.00 C ATOM 439 C LYS A 32 2.161 3.632 -2.626 1.00 0.00 C ATOM 440 O LYS A 32 2.364 4.713 -2.072 1.00 0.00 O ATOM 441 CB LYS A 32 2.256 1.465 -1.382 1.00 0.00 C ATOM 442 CG LYS A 32 1.518 0.357 -0.650 1.00 0.00 C ATOM 443 CD LYS A 32 2.462 -0.753 -0.220 1.00 0.00 C ATOM 444 CE LYS A 32 1.717 -1.880 0.478 1.00 0.00 C ATOM 445 NZ LYS A 32 2.649 -2.888 1.054 1.00 0.00 N ATOM 0 H LYS A 32 0.393 0.945 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 32 0.776 3.004 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.830 1.029 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.971 1.926 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.017 0.769 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.743 -0.054 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.984 -1.146 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.221 -0.348 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.094 -1.467 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.048 -2.367 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.102 -3.639 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.226 -3.301 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.270 -2.429 1.750 1.00 0.00 H new ATOM 459 N MET A 33 2.636 3.337 -3.831 1.00 0.00 N ATOM 460 CA MET A 33 3.440 4.288 -4.590 1.00 0.00 C ATOM 461 C MET A 33 2.626 5.528 -4.943 1.00 0.00 C ATOM 462 O MET A 33 3.181 6.604 -5.169 1.00 0.00 O ATOM 463 CB MET A 33 3.974 3.633 -5.866 1.00 0.00 C ATOM 464 CG MET A 33 5.050 2.591 -5.610 1.00 0.00 C ATOM 465 SD MET A 33 6.713 3.288 -5.637 1.00 0.00 S ATOM 466 CE MET A 33 7.109 3.150 -7.379 1.00 0.00 C ATOM 0 H MET A 33 2.478 2.447 -4.303 1.00 0.00 H new ATOM 0 HA MET A 33 4.281 4.593 -3.968 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.146 3.165 -6.398 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.377 4.406 -6.520 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.873 2.122 -4.642 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.977 1.806 -6.363 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.111 3.542 -7.557 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.070 2.103 -7.679 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.387 3.722 -7.963 1.00 0.00 H new ATOM 476 N HIS A 34 1.306 5.371 -4.990 1.00 0.00 N ATOM 477 CA HIS A 34 0.415 6.479 -5.315 1.00 0.00 C ATOM 478 C HIS A 34 0.188 7.369 -4.097 1.00 0.00 C ATOM 479 O HIS A 34 0.152 8.595 -4.210 1.00 0.00 O ATOM 480 CB HIS A 34 -0.923 5.950 -5.832 1.00 0.00 C ATOM 481 CG HIS A 34 -2.012 6.978 -5.834 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.253 7.817 -6.901 1.00 0.00 N ATOM 483 CD2 HIS A 34 -2.930 7.298 -4.892 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.270 8.610 -6.614 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.699 8.315 -5.401 1.00 0.00 N ATOM 0 H HIS A 34 0.831 4.487 -4.807 1.00 0.00 H new ATOM 0 HA HIS A 34 0.887 7.076 -6.096 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.788 5.573 -6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.233 5.105 -5.217 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.728 7.824 -7.776 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.037 6.839 -3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.681 9.370 -7.262 1.00 0.00 H new ATOM 493 N ILE A 35 0.034 6.744 -2.934 1.00 0.00 N ATOM 494 CA ILE A 35 -0.190 7.480 -1.696 1.00 0.00 C ATOM 495 C ILE A 35 1.069 8.224 -1.263 1.00 0.00 C ATOM 496 O ILE A 35 0.996 9.243 -0.575 1.00 0.00 O ATOM 497 CB ILE A 35 -0.637 6.544 -0.558 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.851 5.721 -0.992 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.955 7.347 0.694 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.231 4.638 -0.007 1.00 0.00 C ATOM 0 H ILE A 35 0.060 5.730 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.984 8.200 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 35 0.179 5.859 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.701 6.389 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.643 5.264 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.270 6.671 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.067 7.893 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.757 8.053 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.100 4.095 -0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.396 3.948 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.471 5.090 0.955 1.00 0.00 H new ATOM 512 N LEU A 36 2.223 7.709 -1.672 1.00 0.00 N ATOM 513 CA LEU A 36 3.500 8.325 -1.328 1.00 0.00 C ATOM 514 C LEU A 36 3.978 9.248 -2.445 1.00 0.00 C ATOM 515 O LEU A 36 4.954 9.979 -2.283 1.00 0.00 O ATOM 516 CB LEU A 36 4.552 7.247 -1.057 1.00 0.00 C ATOM 517 CG LEU A 36 5.382 6.802 -2.261 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.570 7.730 -2.464 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.850 5.364 -2.084 1.00 0.00 C ATOM 0 H LEU A 36 2.301 6.867 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 36 3.357 8.920 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.232 7.616 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.049 6.372 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 36 4.753 6.852 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.149 7.397 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.213 8.745 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.201 7.714 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.439 5.064 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.462 5.289 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.984 4.709 -1.990 1.00 0.00 H new ATOM 531 N GLN A 37 3.282 9.209 -3.576 1.00 0.00 N ATOM 532 CA GLN A 37 3.634 10.043 -4.719 1.00 0.00 C ATOM 533 C GLN A 37 2.705 11.248 -4.820 1.00 0.00 C ATOM 534 O GLN A 37 3.143 12.361 -5.113 1.00 0.00 O ATOM 535 CB GLN A 37 3.573 9.227 -6.011 1.00 0.00 C ATOM 536 CG GLN A 37 4.795 8.350 -6.235 1.00 0.00 C ATOM 537 CD GLN A 37 5.931 9.094 -6.910 1.00 0.00 C ATOM 538 OE1 GLN A 37 5.933 10.324 -6.971 1.00 0.00 O ATOM 539 NE2 GLN A 37 6.905 8.350 -7.420 1.00 0.00 N ATOM 0 H GLN A 37 2.471 8.609 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 37 4.652 10.404 -4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.683 8.598 -5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.464 9.907 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.139 7.961 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.515 7.491 -6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.862 7.334 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.696 8.795 -7.885 1.00 0.00 H new ATOM 548 N LYS A 38 1.419 11.019 -4.577 1.00 0.00 N ATOM 549 CA LYS A 38 0.426 12.086 -4.639 1.00 0.00 C ATOM 550 C LYS A 38 0.115 12.622 -3.246 1.00 0.00 C ATOM 551 O LYS A 38 -0.153 13.811 -3.073 1.00 0.00 O ATOM 552 CB LYS A 38 -0.857 11.578 -5.300 1.00 0.00 C ATOM 553 CG LYS A 38 -0.642 11.017 -6.696 1.00 0.00 C ATOM 554 CD LYS A 38 -0.296 12.113 -7.690 1.00 0.00 C ATOM 555 CE LYS A 38 0.587 11.590 -8.812 1.00 0.00 C ATOM 556 NZ LYS A 38 0.435 12.392 -10.057 1.00 0.00 N ATOM 0 H LYS A 38 1.039 10.104 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 38 0.839 12.898 -5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.298 10.805 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.577 12.395 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.160 10.279 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.543 10.499 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.213 12.527 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.214 12.926 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.629 11.609 -8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.335 10.550 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.053 12.004 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.554 12.354 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.700 13.380 -9.868 1.00 0.00 H new ATOM 570 N HIS A 39 0.154 11.737 -2.254 1.00 0.00 N ATOM 571 CA HIS A 39 -0.123 12.123 -0.875 1.00 0.00 C ATOM 572 C HIS A 39 1.113 11.932 0.000 1.00 0.00 C ATOM 573 O HIS A 39 1.026 11.404 1.109 1.00 0.00 O ATOM 574 CB HIS A 39 -1.288 11.305 -0.318 1.00 0.00 C ATOM 575 CG HIS A 39 -2.473 11.251 -1.232 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.201 12.367 -1.586 1.00 0.00 N ATOM 577 CD2 HIS A 39 -3.055 10.206 -1.866 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.181 12.011 -2.397 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.114 10.705 -2.584 1.00 0.00 N ATOM 0 H HIS A 39 0.374 10.749 -2.380 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.394 13.179 -0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.946 10.289 -0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.596 11.730 0.637 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -3.012 13.319 -1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.744 9.173 -1.816 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.913 12.675 -2.833 1.00 0.00 H new ATOM 587 N THR A 40 2.263 12.366 -0.506 1.00 0.00 N ATOM 588 CA THR A 40 3.516 12.241 0.228 1.00 0.00 C ATOM 589 C THR A 40 3.481 13.052 1.518 1.00 0.00 C ATOM 590 O THR A 40 4.112 12.687 2.509 1.00 0.00 O ATOM 591 CB THR A 40 4.714 12.704 -0.623 1.00 0.00 C ATOM 592 OG1 THR A 40 5.893 12.772 0.187 1.00 0.00 O ATOM 593 CG2 THR A 40 4.442 14.065 -1.246 1.00 0.00 C ATOM 0 H THR A 40 2.353 12.807 -1.421 1.00 0.00 H new ATOM 0 HA THR A 40 3.637 11.185 0.469 1.00 0.00 H new ATOM 0 HB THR A 40 4.864 11.979 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.650 13.066 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.302 14.371 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.561 14.003 -1.885 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.268 14.798 -0.458 1.00 0.00 H new ATOM 601 N GLU A 41 2.737 14.154 1.499 1.00 0.00 N ATOM 602 CA GLU A 41 2.620 15.016 2.669 1.00 0.00 C ATOM 603 C GLU A 41 1.433 14.602 3.534 1.00 0.00 C ATOM 604 O GLU A 41 1.561 14.443 4.747 1.00 0.00 O ATOM 605 CB GLU A 41 2.467 16.477 2.241 1.00 0.00 C ATOM 606 CG GLU A 41 1.288 16.719 1.313 1.00 0.00 C ATOM 607 CD GLU A 41 1.208 18.156 0.835 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.077 18.564 0.036 1.00 0.00 O ATOM 609 OE2 GLU A 41 0.276 18.871 1.258 1.00 0.00 O ATOM 0 H GLU A 41 2.207 14.470 0.687 1.00 0.00 H new ATOM 0 HA GLU A 41 3.531 14.911 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.352 17.097 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.382 16.799 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.367 16.057 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.364 16.460 1.830 1.00 0.00 H new ATOM 616 N ASN A 42 0.278 14.428 2.900 1.00 0.00 N ATOM 617 CA ASN A 42 -0.933 14.033 3.611 1.00 0.00 C ATOM 618 C ASN A 42 -0.650 12.879 4.567 1.00 0.00 C ATOM 619 O ASN A 42 -1.091 12.889 5.717 1.00 0.00 O ATOM 620 CB ASN A 42 -2.024 13.631 2.617 1.00 0.00 C ATOM 621 CG ASN A 42 -3.418 13.903 3.148 1.00 0.00 C ATOM 622 OD1 ASN A 42 -3.736 13.571 4.290 1.00 0.00 O ATOM 623 ND2 ASN A 42 -4.259 14.510 2.318 1.00 0.00 N ATOM 0 H ASN A 42 0.155 14.554 1.895 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.278 14.887 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.881 14.176 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.927 12.570 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.211 14.719 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.953 14.767 1.380 1.00 0.00 H new ATOM 630 N VAL A 43 0.090 11.885 4.085 1.00 0.00 N ATOM 631 CA VAL A 43 0.433 10.724 4.897 1.00 0.00 C ATOM 632 C VAL A 43 1.426 11.095 5.993 1.00 0.00 C ATOM 633 O VAL A 43 2.272 11.969 5.809 1.00 0.00 O ATOM 634 CB VAL A 43 1.033 9.596 4.037 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.175 10.124 3.183 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.502 8.447 4.918 1.00 0.00 C ATOM 0 H VAL A 43 0.463 11.861 3.136 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.492 10.371 5.353 1.00 0.00 H new ATOM 0 HB VAL A 43 0.257 9.220 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.586 9.312 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.804 10.910 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.955 10.529 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.923 7.659 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.263 8.807 5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.656 8.052 5.481 1.00 0.00 H new ATOM 646 N ALA A 44 1.316 10.424 7.135 1.00 0.00 N ATOM 647 CA ALA A 44 2.205 10.681 8.261 1.00 0.00 C ATOM 648 C ALA A 44 3.398 9.731 8.246 1.00 0.00 C ATOM 649 O ALA A 44 4.550 10.164 8.292 1.00 0.00 O ATOM 650 CB ALA A 44 1.445 10.555 9.573 1.00 0.00 C ATOM 0 H ALA A 44 0.620 9.698 7.305 1.00 0.00 H new ATOM 0 HA ALA A 44 2.583 11.699 8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.121 10.749 10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.629 11.278 9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.039 9.547 9.663 1.00 0.00 H new ATOM 656 N LYS A 45 3.116 8.435 8.181 1.00 0.00 N ATOM 657 CA LYS A 45 4.166 7.423 8.159 1.00 0.00 C ATOM 658 C LYS A 45 4.418 6.932 6.737 1.00 0.00 C ATOM 659 O LYS A 45 3.480 6.707 5.972 1.00 0.00 O ATOM 660 CB LYS A 45 3.785 6.244 9.057 1.00 0.00 C ATOM 661 CG LYS A 45 4.018 6.505 10.535 1.00 0.00 C ATOM 662 CD LYS A 45 5.392 6.030 10.976 1.00 0.00 C ATOM 663 CE LYS A 45 5.345 4.605 11.506 1.00 0.00 C ATOM 664 NZ LYS A 45 4.667 4.528 12.830 1.00 0.00 N ATOM 0 H LYS A 45 2.168 8.060 8.143 1.00 0.00 H new ATOM 0 HA LYS A 45 5.082 7.877 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.733 6.004 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.360 5.368 8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.919 7.572 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.251 5.997 11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.084 6.084 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.777 6.695 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.821 3.969 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.360 4.217 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.928 3.639 13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.963 5.332 13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.636 4.559 12.695 1.00 0.00 H new ATOM 678 N PHE A 46 5.690 6.765 6.391 1.00 0.00 N ATOM 679 CA PHE A 46 6.065 6.299 5.061 1.00 0.00 C ATOM 680 C PHE A 46 6.391 4.809 5.078 1.00 0.00 C ATOM 681 O PHE A 46 7.106 4.328 5.958 1.00 0.00 O ATOM 682 CB PHE A 46 7.268 7.090 4.541 1.00 0.00 C ATOM 683 CG PHE A 46 7.006 8.563 4.409 1.00 0.00 C ATOM 684 CD1 PHE A 46 6.662 9.320 5.517 1.00 0.00 C ATOM 685 CD2 PHE A 46 7.103 9.190 3.178 1.00 0.00 C ATOM 686 CE1 PHE A 46 6.420 10.676 5.399 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.862 10.545 3.053 1.00 0.00 C ATOM 688 CZ PHE A 46 6.521 11.289 4.165 1.00 0.00 C ATOM 0 H PHE A 46 6.478 6.945 7.013 1.00 0.00 H new ATOM 0 HA PHE A 46 5.217 6.459 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.111 6.938 5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.561 6.693 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.582 8.846 6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.370 8.613 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.152 11.255 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.940 11.021 2.087 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.334 12.348 4.070 1.00 0.00 H new ATOM 698 N HIS A 47 5.861 4.082 4.100 1.00 0.00 N ATOM 699 CA HIS A 47 6.095 2.645 4.002 1.00 0.00 C ATOM 700 C HIS A 47 6.671 2.280 2.637 1.00 0.00 C ATOM 701 O HIS A 47 6.093 2.609 1.600 1.00 0.00 O ATOM 702 CB HIS A 47 4.794 1.878 4.241 1.00 0.00 C ATOM 703 CG HIS A 47 4.562 1.526 5.678 1.00 0.00 C ATOM 704 ND1 HIS A 47 4.411 0.229 6.121 1.00 0.00 N ATOM 705 CD2 HIS A 47 4.458 2.311 6.776 1.00 0.00 C ATOM 706 CE1 HIS A 47 4.222 0.232 7.428 1.00 0.00 C ATOM 707 NE2 HIS A 47 4.246 1.483 7.851 1.00 0.00 N ATOM 0 H HIS A 47 5.267 4.464 3.364 1.00 0.00 H new ATOM 0 HA HIS A 47 6.819 2.366 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.957 2.478 3.883 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.807 0.963 3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.529 3.388 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.073 -0.641 8.046 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.127 1.785 8.818 1.00 0.00 H new ATOM 715 N CYS A 48 7.812 1.600 2.644 1.00 0.00 N ATOM 716 CA CYS A 48 8.467 1.192 1.407 1.00 0.00 C ATOM 717 C CYS A 48 7.484 0.483 0.479 1.00 0.00 C ATOM 718 O CYS A 48 6.803 -0.467 0.865 1.00 0.00 O ATOM 719 CB CYS A 48 9.651 0.272 1.712 1.00 0.00 C ATOM 720 SG CYS A 48 10.453 -0.424 0.232 1.00 0.00 S ATOM 0 H CYS A 48 8.303 1.320 3.493 1.00 0.00 H new ATOM 0 HA CYS A 48 8.831 2.088 0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.392 0.829 2.285 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.308 -0.546 2.345 1.00 0.00 H new ATOM 725 N PRO A 49 7.408 0.956 -0.774 1.00 0.00 N ATOM 726 CA PRO A 49 6.513 0.382 -1.783 1.00 0.00 C ATOM 727 C PRO A 49 6.957 -1.007 -2.229 1.00 0.00 C ATOM 728 O PRO A 49 6.448 -1.545 -3.213 1.00 0.00 O ATOM 729 CB PRO A 49 6.608 1.373 -2.946 1.00 0.00 C ATOM 730 CG PRO A 49 7.940 2.022 -2.783 1.00 0.00 C ATOM 731 CD PRO A 49 8.191 2.086 -1.302 1.00 0.00 C ATOM 0 HA PRO A 49 5.501 0.248 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.530 0.864 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.803 2.107 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.718 1.448 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.945 3.019 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.251 1.984 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.862 3.035 -0.879 1.00 0.00 H new ATOM 739 N HIS A 50 7.907 -1.582 -1.500 1.00 0.00 N ATOM 740 CA HIS A 50 8.419 -2.910 -1.821 1.00 0.00 C ATOM 741 C HIS A 50 8.302 -3.842 -0.619 1.00 0.00 C ATOM 742 O HIS A 50 7.473 -4.753 -0.604 1.00 0.00 O ATOM 743 CB HIS A 50 9.876 -2.823 -2.273 1.00 0.00 C ATOM 744 CG HIS A 50 10.120 -1.767 -3.307 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.410 -1.691 -4.487 1.00 0.00 N ATOM 746 CD2 HIS A 50 11.001 -0.740 -3.333 1.00 0.00 C ATOM 747 CE1 HIS A 50 9.845 -0.663 -5.194 1.00 0.00 C ATOM 748 NE2 HIS A 50 10.810 -0.069 -4.516 1.00 0.00 N ATOM 0 H HIS A 50 8.338 -1.150 -0.683 1.00 0.00 H new ATOM 0 HA HIS A 50 7.818 -3.317 -2.634 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.506 -2.623 -1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.182 -3.790 -2.673 1.00 0.00 H new ATOM 0 HD1 HIS A 50 8.666 -2.329 -4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.720 -0.494 -2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.474 -0.360 -6.162 1.00 0.00 H new ATOM 756 N CYS A 51 9.137 -3.610 0.388 1.00 0.00 N ATOM 757 CA CYS A 51 9.129 -4.428 1.594 1.00 0.00 C ATOM 758 C CYS A 51 8.512 -3.668 2.764 1.00 0.00 C ATOM 759 O CYS A 51 8.161 -2.494 2.639 1.00 0.00 O ATOM 760 CB CYS A 51 10.552 -4.864 1.949 1.00 0.00 C ATOM 761 SG CYS A 51 11.631 -3.504 2.499 1.00 0.00 S ATOM 0 H CYS A 51 9.829 -2.861 0.392 1.00 0.00 H new ATOM 0 HA CYS A 51 8.523 -5.312 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.504 -5.617 2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.002 -5.341 1.079 1.00 0.00 H new ATOM 766 N ASP A 52 8.382 -4.344 3.900 1.00 0.00 N ATOM 767 CA ASP A 52 7.808 -3.733 5.093 1.00 0.00 C ATOM 768 C ASP A 52 8.854 -2.908 5.837 1.00 0.00 C ATOM 769 O ASP A 52 9.453 -3.374 6.807 1.00 0.00 O ATOM 770 CB ASP A 52 7.235 -4.808 6.018 1.00 0.00 C ATOM 771 CG ASP A 52 6.282 -5.742 5.299 1.00 0.00 C ATOM 772 OD1 ASP A 52 5.145 -5.318 5.006 1.00 0.00 O ATOM 773 OD2 ASP A 52 6.673 -6.897 5.031 1.00 0.00 O ATOM 0 H ASP A 52 8.667 -5.316 4.020 1.00 0.00 H new ATOM 0 HA ASP A 52 7.003 -3.069 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.052 -5.387 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.714 -4.330 6.847 1.00 0.00 H new ATOM 778 N THR A 53 9.069 -1.679 5.376 1.00 0.00 N ATOM 779 CA THR A 53 10.043 -0.791 5.996 1.00 0.00 C ATOM 780 C THR A 53 9.475 0.613 6.169 1.00 0.00 C ATOM 781 O THR A 53 9.024 1.234 5.206 1.00 0.00 O ATOM 782 CB THR A 53 11.338 -0.709 5.166 1.00 0.00 C ATOM 783 OG1 THR A 53 11.901 -2.016 5.007 1.00 0.00 O ATOM 784 CG2 THR A 53 12.352 0.207 5.833 1.00 0.00 C ATOM 0 H THR A 53 8.581 -1.277 4.575 1.00 0.00 H new ATOM 0 HA THR A 53 10.274 -1.211 6.975 1.00 0.00 H new ATOM 0 HB THR A 53 11.090 -0.298 4.187 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.905 -2.257 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.258 0.249 5.228 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.932 1.208 5.926 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.594 -0.178 6.823 1.00 0.00 H new ATOM 792 N VAL A 54 9.500 1.110 7.402 1.00 0.00 N ATOM 793 CA VAL A 54 8.989 2.442 7.700 1.00 0.00 C ATOM 794 C VAL A 54 10.054 3.506 7.461 1.00 0.00 C ATOM 795 O VAL A 54 11.228 3.304 7.774 1.00 0.00 O ATOM 796 CB VAL A 54 8.498 2.541 9.157 1.00 0.00 C ATOM 797 CG1 VAL A 54 8.033 3.956 9.468 1.00 0.00 C ATOM 798 CG2 VAL A 54 7.385 1.537 9.413 1.00 0.00 C ATOM 0 H VAL A 54 9.869 0.609 8.211 1.00 0.00 H new ATOM 0 HA VAL A 54 8.149 2.616 7.028 1.00 0.00 H new ATOM 0 HB VAL A 54 9.330 2.303 9.820 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.690 4.007 10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.861 4.651 9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.215 4.225 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.050 1.621 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.550 1.741 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.756 0.528 9.232 1.00 0.00 H new ATOM 808 N ILE A 55 9.637 4.638 6.905 1.00 0.00 N ATOM 809 CA ILE A 55 10.556 5.735 6.625 1.00 0.00 C ATOM 810 C ILE A 55 10.049 7.043 7.223 1.00 0.00 C ATOM 811 O ILE A 55 8.846 7.305 7.239 1.00 0.00 O ATOM 812 CB ILE A 55 10.764 5.922 5.111 1.00 0.00 C ATOM 813 CG1 ILE A 55 11.169 4.597 4.462 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.816 6.990 4.849 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.535 4.108 4.888 1.00 0.00 C ATOM 0 H ILE A 55 8.669 4.820 6.639 1.00 0.00 H new ATOM 0 HA ILE A 55 11.509 5.474 7.085 1.00 0.00 H new ATOM 0 HB ILE A 55 9.824 6.249 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.427 3.838 4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.155 4.713 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.952 7.111 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.490 7.936 5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.760 6.689 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.756 3.164 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.288 4.848 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.548 3.959 5.968 1.00 0.00 H new ATOM 827 N ALA A 56 10.974 7.861 7.712 1.00 0.00 N ATOM 828 CA ALA A 56 10.622 9.144 8.308 1.00 0.00 C ATOM 829 C ALA A 56 10.796 10.281 7.306 1.00 0.00 C ATOM 830 O ALA A 56 9.817 10.827 6.796 1.00 0.00 O ATOM 831 CB ALA A 56 11.463 9.399 9.550 1.00 0.00 C ATOM 0 H ALA A 56 11.974 7.658 7.707 1.00 0.00 H new ATOM 0 HA ALA A 56 9.572 9.106 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.189 10.361 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.285 8.608 10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.519 9.411 9.278 1.00 0.00 H new ATOM 837 N ARG A 57 12.047 10.633 7.029 1.00 0.00 N ATOM 838 CA ARG A 57 12.349 11.706 6.090 1.00 0.00 C ATOM 839 C ARG A 57 12.184 11.230 4.649 1.00 0.00 C ATOM 840 O ARG A 57 12.988 10.443 4.148 1.00 0.00 O ATOM 841 CB ARG A 57 13.773 12.219 6.309 1.00 0.00 C ATOM 842 CG ARG A 57 14.203 13.273 5.302 1.00 0.00 C ATOM 843 CD ARG A 57 13.779 14.667 5.740 1.00 0.00 C ATOM 844 NE ARG A 57 12.463 15.028 5.220 1.00 0.00 N ATOM 845 CZ ARG A 57 11.869 16.190 5.467 1.00 0.00 C ATOM 846 NH1 ARG A 57 12.471 17.099 6.222 1.00 0.00 N ATOM 847 NH2 ARG A 57 10.670 16.445 4.958 1.00 0.00 N ATOM 0 H ARG A 57 12.868 10.190 7.442 1.00 0.00 H new ATOM 0 HA ARG A 57 11.646 12.520 6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.849 12.636 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.465 11.378 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.286 13.242 5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.767 13.048 4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.764 14.716 6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.516 15.394 5.398 1.00 0.00 H new ATOM 0 HE ARG A 57 11.973 14.351 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.393 16.907 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.012 17.991 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.204 15.748 4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.215 17.338 5.148 1.00 0.00 H new ATOM 861 N LYS A 58 11.137 11.711 3.988 1.00 0.00 N ATOM 862 CA LYS A 58 10.866 11.336 2.606 1.00 0.00 C ATOM 863 C LYS A 58 12.165 11.101 1.841 1.00 0.00 C ATOM 864 O LYS A 58 12.292 10.125 1.101 1.00 0.00 O ATOM 865 CB LYS A 58 10.044 12.425 1.912 1.00 0.00 C ATOM 866 CG LYS A 58 9.972 12.265 0.403 1.00 0.00 C ATOM 867 CD LYS A 58 9.115 11.073 0.010 1.00 0.00 C ATOM 868 CE LYS A 58 9.349 10.673 -1.438 1.00 0.00 C ATOM 869 NZ LYS A 58 9.086 11.800 -2.375 1.00 0.00 N ATOM 0 H LYS A 58 10.461 12.362 4.388 1.00 0.00 H new ATOM 0 HA LYS A 58 10.296 10.407 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.032 12.419 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.476 13.398 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.561 13.172 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.977 12.140 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.341 10.230 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.063 11.316 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.377 10.333 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.703 9.832 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.107 11.450 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.151 12.208 -2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.816 12.531 -2.253 1.00 0.00 H new ATOM 883 N SER A 59 13.127 11.999 2.026 1.00 0.00 N ATOM 884 CA SER A 59 14.415 11.889 1.352 1.00 0.00 C ATOM 885 C SER A 59 15.061 10.536 1.632 1.00 0.00 C ATOM 886 O SER A 59 15.519 9.853 0.716 1.00 0.00 O ATOM 887 CB SER A 59 15.348 13.016 1.803 1.00 0.00 C ATOM 888 OG SER A 59 15.149 14.184 1.025 1.00 0.00 O ATOM 0 H SER A 59 13.039 12.811 2.637 1.00 0.00 H new ATOM 0 HA SER A 59 14.244 11.975 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.170 13.241 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.385 12.690 1.718 1.00 0.00 H new ATOM 0 HG SER A 59 15.755 14.890 1.333 1.00 0.00 H new ATOM 894 N ASP A 60 15.095 10.156 2.904 1.00 0.00 N ATOM 895 CA ASP A 60 15.684 8.884 3.307 1.00 0.00 C ATOM 896 C ASP A 60 15.177 7.747 2.425 1.00 0.00 C ATOM 897 O ASP A 60 15.938 6.859 2.039 1.00 0.00 O ATOM 898 CB ASP A 60 15.363 8.590 4.773 1.00 0.00 C ATOM 899 CG ASP A 60 16.338 9.256 5.724 1.00 0.00 C ATOM 900 OD1 ASP A 60 17.448 9.618 5.279 1.00 0.00 O ATOM 901 OD2 ASP A 60 15.992 9.417 6.912 1.00 0.00 O ATOM 0 H ASP A 60 14.722 10.711 3.674 1.00 0.00 H new ATOM 0 HA ASP A 60 16.765 8.959 3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.352 8.931 4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.379 7.512 4.936 1.00 0.00 H new ATOM 906 N LEU A 61 13.887 7.780 2.110 1.00 0.00 N ATOM 907 CA LEU A 61 13.276 6.751 1.274 1.00 0.00 C ATOM 908 C LEU A 61 14.232 6.309 0.170 1.00 0.00 C ATOM 909 O LEU A 61 14.368 5.118 -0.106 1.00 0.00 O ATOM 910 CB LEU A 61 11.976 7.271 0.660 1.00 0.00 C ATOM 911 CG LEU A 61 11.240 6.306 -0.271 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.802 5.063 0.487 1.00 0.00 C ATOM 913 CD2 LEU A 61 10.043 6.992 -0.913 1.00 0.00 C ATOM 0 H LEU A 61 13.243 8.508 2.421 1.00 0.00 H new ATOM 0 HA LEU A 61 13.054 5.890 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.301 7.549 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.199 8.182 0.104 1.00 0.00 H new ATOM 0 HG LEU A 61 11.925 6.001 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.280 4.388 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.677 4.560 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.134 5.349 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.532 6.290 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.356 7.327 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.383 7.851 -1.492 1.00 0.00 H new ATOM 925 N GLY A 62 14.894 7.278 -0.456 1.00 0.00 N ATOM 926 CA GLY A 62 15.830 6.968 -1.520 1.00 0.00 C ATOM 927 C GLY A 62 16.967 6.080 -1.053 1.00 0.00 C ATOM 928 O GLY A 62 17.266 5.062 -1.676 1.00 0.00 O ATOM 0 H GLY A 62 14.798 8.271 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.299 6.475 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.239 7.895 -1.921 1.00 0.00 H new ATOM 932 N VAL A 63 17.604 6.468 0.048 1.00 0.00 N ATOM 933 CA VAL A 63 18.715 5.701 0.598 1.00 0.00 C ATOM 934 C VAL A 63 18.331 4.238 0.790 1.00 0.00 C ATOM 935 O VAL A 63 19.109 3.335 0.481 1.00 0.00 O ATOM 936 CB VAL A 63 19.182 6.279 1.947 1.00 0.00 C ATOM 937 CG1 VAL A 63 20.370 5.494 2.482 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.528 7.753 1.804 1.00 0.00 C ATOM 0 H VAL A 63 17.369 7.309 0.576 1.00 0.00 H new ATOM 0 HA VAL A 63 19.532 5.768 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 63 18.365 6.189 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 63 20.686 5.917 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 63 20.083 4.452 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 63 21.193 5.550 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.856 8.145 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 63 20.328 7.870 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.648 8.302 1.469 1.00 0.00 H new ATOM 948 N HIS A 64 17.125 4.011 1.302 1.00 0.00 N ATOM 949 CA HIS A 64 16.636 2.656 1.534 1.00 0.00 C ATOM 950 C HIS A 64 16.382 1.936 0.213 1.00 0.00 C ATOM 951 O HIS A 64 16.501 0.713 0.128 1.00 0.00 O ATOM 952 CB HIS A 64 15.353 2.690 2.365 1.00 0.00 C ATOM 953 CG HIS A 64 14.588 1.403 2.338 1.00 0.00 C ATOM 954 ND1 HIS A 64 15.019 0.257 2.973 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.412 1.084 1.749 1.00 0.00 C ATOM 956 CE1 HIS A 64 14.143 -0.711 2.775 1.00 0.00 C ATOM 957 NE2 HIS A 64 13.157 -0.235 2.035 1.00 0.00 N ATOM 0 H HIS A 64 16.469 4.747 1.564 1.00 0.00 H new ATOM 0 HA HIS A 64 17.402 2.109 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.605 2.932 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.713 3.492 1.997 1.00 0.00 H new ATOM 0 HD1 HIS A 64 15.881 0.171 3.512 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.790 1.744 1.163 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.219 -1.720 3.153 1.00 0.00 H new ATOM 965 N LEU A 65 16.032 2.702 -0.814 1.00 0.00 N ATOM 966 CA LEU A 65 15.761 2.137 -2.132 1.00 0.00 C ATOM 967 C LEU A 65 17.059 1.798 -2.857 1.00 0.00 C ATOM 968 O LEU A 65 17.116 0.849 -3.640 1.00 0.00 O ATOM 969 CB LEU A 65 14.936 3.116 -2.968 1.00 0.00 C ATOM 970 CG LEU A 65 13.421 3.054 -2.774 1.00 0.00 C ATOM 971 CD1 LEU A 65 12.741 4.202 -3.505 1.00 0.00 C ATOM 972 CD2 LEU A 65 12.875 1.717 -3.253 1.00 0.00 C ATOM 0 H LEU A 65 15.929 3.715 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 65 15.193 1.217 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.270 4.128 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.155 2.938 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 65 13.207 3.150 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.663 4.141 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.109 5.151 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.964 4.138 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.795 1.692 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.101 1.590 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.337 0.910 -2.684 1.00 0.00 H new ATOM 984 N ARG A 66 18.101 2.580 -2.591 1.00 0.00 N ATOM 985 CA ARG A 66 19.399 2.362 -3.217 1.00 0.00 C ATOM 986 C ARG A 66 20.202 1.313 -2.455 1.00 0.00 C ATOM 987 O ARG A 66 20.965 0.548 -3.045 1.00 0.00 O ATOM 988 CB ARG A 66 20.184 3.674 -3.282 1.00 0.00 C ATOM 989 CG ARG A 66 19.489 4.761 -4.084 1.00 0.00 C ATOM 990 CD ARG A 66 20.274 6.063 -4.055 1.00 0.00 C ATOM 991 NE ARG A 66 19.541 7.158 -4.685 1.00 0.00 N ATOM 992 CZ ARG A 66 20.117 8.272 -5.123 1.00 0.00 C ATOM 993 NH1 ARG A 66 21.427 8.437 -5.000 1.00 0.00 N ATOM 994 NH2 ARG A 66 19.383 9.224 -5.685 1.00 0.00 N ATOM 0 H ARG A 66 18.071 3.370 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 66 19.229 1.997 -4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.355 4.036 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.163 3.480 -3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.367 4.432 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.490 4.928 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.502 6.326 -3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.227 5.923 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 66 18.531 7.062 -4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 66 21.995 7.708 -4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.867 9.293 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.375 9.101 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.827 10.079 -6.021 1.00 0.00 H new ATOM 1008 N LYS A 67 20.026 1.283 -1.138 1.00 0.00 N ATOM 1009 CA LYS A 67 20.733 0.328 -0.293 1.00 0.00 C ATOM 1010 C LYS A 67 20.112 -1.061 -0.403 1.00 0.00 C ATOM 1011 O LYS A 67 20.699 -1.967 -0.993 1.00 0.00 O ATOM 1012 CB LYS A 67 20.712 0.793 1.165 1.00 0.00 C ATOM 1013 CG LYS A 67 21.880 1.692 1.534 1.00 0.00 C ATOM 1014 CD LYS A 67 21.509 2.661 2.644 1.00 0.00 C ATOM 1015 CE LYS A 67 21.792 2.071 4.017 1.00 0.00 C ATOM 1016 NZ LYS A 67 23.249 1.856 4.238 1.00 0.00 N ATOM 0 H LYS A 67 19.399 1.910 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 67 21.766 0.273 -0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.780 1.326 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.717 -0.081 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.725 1.081 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.202 2.250 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 67 22.070 3.587 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.452 2.916 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.402 2.738 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.265 1.123 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.453 1.885 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.525 0.929 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.787 2.604 3.756 1.00 0.00 H new ATOM 1030 N GLN A 68 18.922 -1.219 0.166 1.00 0.00 N ATOM 1031 CA GLN A 68 18.222 -2.497 0.129 1.00 0.00 C ATOM 1032 C GLN A 68 17.917 -2.911 -1.307 1.00 0.00 C ATOM 1033 O GLN A 68 18.175 -4.047 -1.704 1.00 0.00 O ATOM 1034 CB GLN A 68 16.924 -2.415 0.935 1.00 0.00 C ATOM 1035 CG GLN A 68 17.110 -2.692 2.418 1.00 0.00 C ATOM 1036 CD GLN A 68 17.403 -4.151 2.708 1.00 0.00 C ATOM 1037 OE1 GLN A 68 16.538 -5.013 2.550 1.00 0.00 O ATOM 1038 NE2 GLN A 68 18.628 -4.435 3.133 1.00 0.00 N ATOM 0 H GLN A 68 18.422 -0.478 0.658 1.00 0.00 H new ATOM 0 HA GLN A 68 18.872 -3.251 0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.491 -1.422 0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.208 -3.128 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.927 -2.079 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.210 -2.393 2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.313 -3.688 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.884 -5.400 3.343 1.00 0.00 H new ATOM 1047 N HIS A 69 17.368 -1.981 -2.081 1.00 0.00 N ATOM 1048 CA HIS A 69 17.028 -2.248 -3.474 1.00 0.00 C ATOM 1049 C HIS A 69 17.991 -1.531 -4.416 1.00 0.00 C ATOM 1050 O HIS A 69 18.922 -0.858 -3.973 1.00 0.00 O ATOM 1051 CB HIS A 69 15.592 -1.811 -3.765 1.00 0.00 C ATOM 1052 CG HIS A 69 14.598 -2.322 -2.768 1.00 0.00 C ATOM 1053 ND1 HIS A 69 13.870 -3.478 -2.956 1.00 0.00 N ATOM 1054 CD2 HIS A 69 14.213 -1.827 -1.568 1.00 0.00 C ATOM 1055 CE1 HIS A 69 13.079 -3.671 -1.915 1.00 0.00 C ATOM 1056 NE2 HIS A 69 13.269 -2.684 -1.059 1.00 0.00 N ATOM 0 H HIS A 69 17.149 -1.035 -1.767 1.00 0.00 H new ATOM 0 HA HIS A 69 17.114 -3.321 -3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.549 -0.722 -3.784 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.309 -2.158 -4.759 1.00 0.00 H new ATOM 0 HD1 HIS A 69 13.932 -4.088 -3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.580 -0.926 -1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.394 -4.496 -1.786 1.00 0.00 H new ATOM 1064 N SER A 70 17.762 -1.681 -5.716 1.00 0.00 N ATOM 1065 CA SER A 70 18.611 -1.051 -6.720 1.00 0.00 C ATOM 1066 C SER A 70 17.796 -0.127 -7.619 1.00 0.00 C ATOM 1067 O SER A 70 17.099 -0.581 -8.526 1.00 0.00 O ATOM 1068 CB SER A 70 19.312 -2.116 -7.566 1.00 0.00 C ATOM 1069 OG SER A 70 20.454 -2.627 -6.899 1.00 0.00 O ATOM 0 H SER A 70 16.995 -2.234 -6.099 1.00 0.00 H new ATOM 0 HA SER A 70 19.363 -0.455 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.618 -2.929 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.608 -1.688 -8.524 1.00 0.00 H new ATOM 0 HG SER A 70 20.883 -3.307 -7.459 1.00 0.00 H new ATOM 1075 N TYR A 71 17.890 1.173 -7.361 1.00 0.00 N ATOM 1076 CA TYR A 71 17.161 2.163 -8.144 1.00 0.00 C ATOM 1077 C TYR A 71 18.096 3.258 -8.646 1.00 0.00 C ATOM 1078 O TYR A 71 18.429 4.190 -7.913 1.00 0.00 O ATOM 1079 CB TYR A 71 16.038 2.779 -7.308 1.00 0.00 C ATOM 1080 CG TYR A 71 14.720 2.047 -7.430 1.00 0.00 C ATOM 1081 CD1 TYR A 71 13.800 2.394 -8.412 1.00 0.00 C ATOM 1082 CD2 TYR A 71 14.395 1.011 -6.564 1.00 0.00 C ATOM 1083 CE1 TYR A 71 12.594 1.729 -8.528 1.00 0.00 C ATOM 1084 CE2 TYR A 71 13.192 0.340 -6.673 1.00 0.00 C ATOM 1085 CZ TYR A 71 12.296 0.702 -7.656 1.00 0.00 C ATOM 1086 OH TYR A 71 11.096 0.037 -7.767 1.00 0.00 O ATOM 0 H TYR A 71 18.464 1.565 -6.615 1.00 0.00 H new ATOM 0 HA TYR A 71 16.727 1.658 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 71 16.341 2.792 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 71 15.897 3.816 -7.612 1.00 0.00 H new ATOM 0 HD1 TYR A 71 14.031 3.197 -9.096 1.00 0.00 H new ATOM 0 HD2 TYR A 71 15.094 0.725 -5.792 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.889 2.011 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 71 12.955 -0.464 -5.992 1.00 0.00 H new ATOM 0 HH TYR A 71 11.257 -0.930 -7.778 1.00 0.00 H new ATOM 1096 N SER A 72 18.517 3.139 -9.901 1.00 0.00 N ATOM 1097 CA SER A 72 19.417 4.117 -10.501 1.00 0.00 C ATOM 1098 C SER A 72 19.526 3.901 -12.008 1.00 0.00 C ATOM 1099 O SER A 72 19.577 2.767 -12.482 1.00 0.00 O ATOM 1100 CB SER A 72 20.803 4.027 -9.860 1.00 0.00 C ATOM 1101 OG SER A 72 21.409 2.774 -10.128 1.00 0.00 O ATOM 0 H SER A 72 18.249 2.375 -10.522 1.00 0.00 H new ATOM 0 HA SER A 72 19.006 5.111 -10.322 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.436 4.829 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 72 20.719 4.171 -8.783 1.00 0.00 H new ATOM 0 HG SER A 72 22.294 2.742 -9.709 1.00 0.00 H new ATOM 1107 N GLY A 73 19.562 5.000 -12.756 1.00 0.00 N ATOM 1108 CA GLY A 73 19.665 4.911 -14.200 1.00 0.00 C ATOM 1109 C GLY A 73 20.193 6.188 -14.824 1.00 0.00 C ATOM 1110 O GLY A 73 21.327 6.601 -14.579 1.00 0.00 O ATOM 0 H GLY A 73 19.522 5.950 -12.387 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.323 4.083 -14.464 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.684 4.685 -14.618 1.00 0.00 H new ATOM 1114 N PRO A 74 19.360 6.835 -15.652 1.00 0.00 N ATOM 1115 CA PRO A 74 19.728 8.081 -16.331 1.00 0.00 C ATOM 1116 C PRO A 74 19.838 9.256 -15.365 1.00 0.00 C ATOM 1117 O PRO A 74 18.889 10.020 -15.192 1.00 0.00 O ATOM 1118 CB PRO A 74 18.576 8.303 -17.314 1.00 0.00 C ATOM 1119 CG PRO A 74 17.418 7.589 -16.709 1.00 0.00 C ATOM 1120 CD PRO A 74 17.994 6.400 -15.990 1.00 0.00 C ATOM 0 HA PRO A 74 20.706 8.012 -16.808 1.00 0.00 H new ATOM 0 HB2 PRO A 74 18.364 9.364 -17.442 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.815 7.905 -18.300 1.00 0.00 H new ATOM 0 HG2 PRO A 74 16.877 8.237 -16.020 1.00 0.00 H new ATOM 0 HG3 PRO A 74 16.709 7.276 -17.475 1.00 0.00 H new ATOM 0 HD2 PRO A 74 17.419 6.152 -15.098 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.000 5.512 -16.622 1.00 0.00 H new ATOM 1128 N SER A 75 21.002 9.395 -14.739 1.00 0.00 N ATOM 1129 CA SER A 75 21.235 10.476 -13.789 1.00 0.00 C ATOM 1130 C SER A 75 22.699 10.516 -13.359 1.00 0.00 C ATOM 1131 O SER A 75 23.288 9.487 -13.028 1.00 0.00 O ATOM 1132 CB SER A 75 20.337 10.307 -12.562 1.00 0.00 C ATOM 1133 OG SER A 75 20.810 9.267 -11.723 1.00 0.00 O ATOM 0 H SER A 75 21.799 8.772 -14.873 1.00 0.00 H new ATOM 0 HA SER A 75 20.993 11.418 -14.282 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.301 11.242 -12.003 1.00 0.00 H new ATOM 0 HB3 SER A 75 19.318 10.086 -12.881 1.00 0.00 H new ATOM 0 HG SER A 75 20.220 9.180 -10.945 1.00 0.00 H new ATOM 1139 N SER A 76 23.279 11.712 -13.368 1.00 0.00 N ATOM 1140 CA SER A 76 24.675 11.887 -12.984 1.00 0.00 C ATOM 1141 C SER A 76 24.783 12.415 -11.557 1.00 0.00 C ATOM 1142 O SER A 76 24.141 13.402 -11.198 1.00 0.00 O ATOM 1143 CB SER A 76 25.375 12.846 -13.949 1.00 0.00 C ATOM 1144 OG SER A 76 26.777 12.839 -13.747 1.00 0.00 O ATOM 0 H SER A 76 22.804 12.574 -13.637 1.00 0.00 H new ATOM 0 HA SER A 76 25.164 10.914 -13.031 1.00 0.00 H new ATOM 0 HB2 SER A 76 25.151 12.560 -14.977 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.989 13.855 -13.807 1.00 0.00 H new ATOM 0 HG SER A 76 27.201 13.458 -14.377 1.00 0.00 H new ATOM 1150 N GLY A 77 25.600 11.750 -10.746 1.00 0.00 N ATOM 1151 CA GLY A 77 25.778 12.166 -9.367 1.00 0.00 C ATOM 1152 C GLY A 77 27.209 12.007 -8.894 1.00 0.00 C ATOM 1153 O GLY A 77 27.866 11.043 -9.285 1.00 0.00 O ATOM 0 H GLY A 77 26.142 10.930 -11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.478 13.209 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.119 11.580 -8.726 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.996 8.765 -3.520 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 12.113 -1.946 0.833 1.00 0.00 ZN