USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 563 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 150:sc= 0.324 USER MOD Set 1.2: A 72 GLN :FLIP amide:sc= 0.3 F(o=0.099,f=0.62) USER MOD Set 2.1: A 16 SER OG : rot 33:sc= 0.0357 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.756 K(o=-0.72,f=-2.6!) 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.0388 (180deg=-0.582) USER MOD Single : A 17 HIS : no HE2:sc= -2.77! X(o=-2.8!,f=-2.9) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0439 K(o=-0.044,f=-1.3) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 0.718 (180deg=0.289) USER MOD Single : A 46 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.066) USER MOD Single : A 49 SER OG : rot -66:sc= 0.535 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0.0741 (180deg=0.0671) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.816 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0383 F(o=-0.7,f=-0.038) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.564 -8.274 -50.376 1.00 0.00 N ATOM 2 CA GLY A 1 -7.086 -7.441 -49.309 1.00 0.00 C ATOM 3 C GLY A 1 -7.948 -8.219 -48.335 1.00 0.00 C ATOM 4 O GLY A 1 -9.159 -8.008 -48.262 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.982 -7.696 -51.015 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.982 -9.034 -49.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.354 -8.690 -50.909 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.256 -6.984 -48.770 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.672 -6.629 -49.740 1.00 0.00 H new ATOM 8 N SER A 2 -7.324 -9.123 -47.586 1.00 0.00 N ATOM 9 CA SER A 2 -8.044 -9.940 -46.616 1.00 0.00 C ATOM 10 C SER A 2 -7.713 -9.508 -45.191 1.00 0.00 C ATOM 11 O SER A 2 -6.587 -9.106 -44.898 1.00 0.00 O ATOM 12 CB SER A 2 -7.698 -11.418 -46.806 1.00 0.00 C ATOM 13 OG SER A 2 -8.573 -12.031 -47.738 1.00 0.00 O ATOM 0 H SER A 2 -6.322 -9.308 -47.632 1.00 0.00 H new ATOM 0 HA SER A 2 -9.112 -9.800 -46.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.669 -11.512 -47.152 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.761 -11.935 -45.849 1.00 0.00 H new ATOM 0 HG SER A 2 -8.330 -12.975 -47.843 1.00 0.00 H new ATOM 19 N SER A 3 -8.703 -9.594 -44.308 1.00 0.00 N ATOM 20 CA SER A 3 -8.520 -9.208 -42.914 1.00 0.00 C ATOM 21 C SER A 3 -9.699 -9.670 -42.063 1.00 0.00 C ATOM 22 O SER A 3 -10.829 -9.754 -42.542 1.00 0.00 O ATOM 23 CB SER A 3 -8.356 -7.692 -42.799 1.00 0.00 C ATOM 24 OG SER A 3 -7.940 -7.321 -41.496 1.00 0.00 O ATOM 0 H SER A 3 -9.640 -9.928 -44.534 1.00 0.00 H new ATOM 0 HA SER A 3 -7.616 -9.692 -42.545 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.625 -7.346 -43.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.300 -7.202 -43.036 1.00 0.00 H new ATOM 0 HG SER A 3 -7.841 -6.347 -41.449 1.00 0.00 H new ATOM 30 N GLY A 4 -9.426 -9.969 -40.796 1.00 0.00 N ATOM 31 CA GLY A 4 -10.473 -10.419 -39.898 1.00 0.00 C ATOM 32 C GLY A 4 -9.924 -10.958 -38.592 1.00 0.00 C ATOM 33 O GLY A 4 -9.289 -12.012 -38.566 1.00 0.00 O ATOM 0 H GLY A 4 -8.498 -9.907 -40.376 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.150 -9.590 -39.690 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.060 -11.195 -40.389 1.00 0.00 H new ATOM 37 N SER A 5 -10.168 -10.233 -37.505 1.00 0.00 N ATOM 38 CA SER A 5 -9.689 -10.641 -36.190 1.00 0.00 C ATOM 39 C SER A 5 -10.598 -10.103 -35.089 1.00 0.00 C ATOM 40 O SER A 5 -10.701 -8.893 -34.890 1.00 0.00 O ATOM 41 CB SER A 5 -8.257 -10.150 -35.970 1.00 0.00 C ATOM 42 OG SER A 5 -7.544 -11.024 -35.112 1.00 0.00 O ATOM 0 H SER A 5 -10.695 -9.360 -37.509 1.00 0.00 H new ATOM 0 HA SER A 5 -9.702 -11.730 -36.148 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.743 -10.077 -36.928 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.275 -9.148 -35.541 1.00 0.00 H new ATOM 0 HG SER A 5 -6.631 -10.689 -34.989 1.00 0.00 H new ATOM 48 N SER A 6 -11.256 -11.012 -34.377 1.00 0.00 N ATOM 49 CA SER A 6 -12.160 -10.630 -33.298 1.00 0.00 C ATOM 50 C SER A 6 -11.795 -11.349 -32.003 1.00 0.00 C ATOM 51 O SER A 6 -10.879 -12.170 -31.972 1.00 0.00 O ATOM 52 CB SER A 6 -13.607 -10.948 -33.680 1.00 0.00 C ATOM 53 OG SER A 6 -13.761 -12.320 -33.997 1.00 0.00 O ATOM 0 H SER A 6 -11.180 -12.018 -34.528 1.00 0.00 H new ATOM 0 HA SER A 6 -12.061 -9.556 -33.138 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.270 -10.685 -32.856 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.903 -10.339 -34.534 1.00 0.00 H new ATOM 0 HG SER A 6 -14.695 -12.498 -34.236 1.00 0.00 H new ATOM 59 N GLY A 7 -12.519 -11.033 -30.933 1.00 0.00 N ATOM 60 CA GLY A 7 -12.257 -11.656 -29.649 1.00 0.00 C ATOM 61 C GLY A 7 -11.528 -10.732 -28.694 1.00 0.00 C ATOM 62 O GLY A 7 -10.338 -10.907 -28.434 1.00 0.00 O ATOM 0 H GLY A 7 -13.282 -10.356 -30.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.201 -11.966 -29.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.664 -12.558 -29.801 1.00 0.00 H new ATOM 66 N LYS A 8 -12.244 -9.743 -28.169 1.00 0.00 N ATOM 67 CA LYS A 8 -11.660 -8.786 -27.237 1.00 0.00 C ATOM 68 C LYS A 8 -11.966 -9.176 -25.794 1.00 0.00 C ATOM 69 O LYS A 8 -12.984 -9.802 -25.497 1.00 0.00 O ATOM 70 CB LYS A 8 -12.190 -7.379 -27.520 1.00 0.00 C ATOM 71 CG LYS A 8 -11.907 -6.894 -28.931 1.00 0.00 C ATOM 72 CD LYS A 8 -10.426 -6.623 -29.141 1.00 0.00 C ATOM 73 CE LYS A 8 -10.075 -6.561 -30.619 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.640 -6.229 -30.835 1.00 0.00 N ATOM 0 H LYS A 8 -13.230 -9.584 -28.374 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.579 -8.795 -27.376 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.266 -7.364 -27.349 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.745 -6.683 -26.809 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.246 -7.641 -29.648 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.475 -5.984 -29.125 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.156 -5.682 -28.662 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.840 -7.406 -28.659 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.300 -7.520 -31.086 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.698 -5.813 -31.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.441 -6.196 -31.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.430 -5.303 -30.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.045 -6.956 -30.389 1.00 0.00 H new ATOM 88 N PRO A 9 -11.066 -8.797 -24.874 1.00 0.00 N ATOM 89 CA PRO A 9 -11.219 -9.094 -23.447 1.00 0.00 C ATOM 90 C PRO A 9 -12.353 -8.300 -22.808 1.00 0.00 C ATOM 91 O PRO A 9 -12.347 -7.068 -22.826 1.00 0.00 O ATOM 92 CB PRO A 9 -9.872 -8.678 -22.851 1.00 0.00 C ATOM 93 CG PRO A 9 -9.344 -7.650 -23.791 1.00 0.00 C ATOM 94 CD PRO A 9 -9.830 -8.048 -25.157 1.00 0.00 C ATOM 0 HA PRO A 9 -11.472 -10.140 -23.273 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.992 -8.272 -21.847 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.194 -9.528 -22.772 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.703 -6.656 -23.524 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.255 -7.615 -23.759 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.022 -7.178 -25.785 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.098 -8.663 -25.681 1.00 0.00 H new ATOM 102 N ILE A 10 -13.323 -9.011 -22.244 1.00 0.00 N ATOM 103 CA ILE A 10 -14.462 -8.371 -21.598 1.00 0.00 C ATOM 104 C ILE A 10 -14.010 -7.462 -20.460 1.00 0.00 C ATOM 105 O ILE A 10 -12.816 -7.339 -20.186 1.00 0.00 O ATOM 106 CB ILE A 10 -15.454 -9.411 -21.045 1.00 0.00 C ATOM 107 CG1 ILE A 10 -14.758 -10.324 -20.033 1.00 0.00 C ATOM 108 CG2 ILE A 10 -16.052 -10.229 -22.181 1.00 0.00 C ATOM 109 CD1 ILE A 10 -15.703 -10.937 -19.023 1.00 0.00 C ATOM 0 H ILE A 10 -13.343 -10.031 -22.221 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.962 -7.774 -22.361 1.00 0.00 H new ATOM 0 HB ILE A 10 -16.263 -8.886 -20.536 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.244 -11.122 -20.569 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.995 -9.752 -19.505 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -16.751 -10.960 -21.774 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.578 -9.567 -22.868 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.255 -10.747 -22.715 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.141 -11.572 -18.338 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.198 -10.145 -18.461 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.451 -11.536 -19.542 1.00 0.00 H new ATOM 121 N LYS A 11 -14.972 -6.828 -19.798 1.00 0.00 N ATOM 122 CA LYS A 11 -14.674 -5.933 -18.687 1.00 0.00 C ATOM 123 C LYS A 11 -14.437 -6.720 -17.402 1.00 0.00 C ATOM 124 O LYS A 11 -15.357 -6.921 -16.608 1.00 0.00 O ATOM 125 CB LYS A 11 -15.821 -4.939 -18.484 1.00 0.00 C ATOM 126 CG LYS A 11 -15.724 -3.710 -19.372 1.00 0.00 C ATOM 127 CD LYS A 11 -16.470 -3.908 -20.681 1.00 0.00 C ATOM 128 CE LYS A 11 -17.918 -3.454 -20.572 1.00 0.00 C ATOM 129 NZ LYS A 11 -18.812 -4.554 -20.115 1.00 0.00 N ATOM 0 H LYS A 11 -15.965 -6.918 -20.012 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.764 -5.385 -18.930 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.767 -5.444 -18.679 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.837 -4.623 -17.441 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.132 -2.847 -18.846 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.676 -3.491 -19.579 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.971 -3.350 -21.473 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.438 -4.960 -20.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.985 -2.619 -19.875 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.258 -3.089 -21.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.795 -4.331 -20.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.529 -5.444 -20.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.737 -4.656 -19.083 1.00 0.00 H new ATOM 143 N ILE A 12 -13.200 -7.161 -17.203 1.00 0.00 N ATOM 144 CA ILE A 12 -12.843 -7.923 -16.013 1.00 0.00 C ATOM 145 C ILE A 12 -12.452 -6.999 -14.865 1.00 0.00 C ATOM 146 O ILE A 12 -11.289 -6.619 -14.729 1.00 0.00 O ATOM 147 CB ILE A 12 -11.680 -8.894 -16.294 1.00 0.00 C ATOM 148 CG1 ILE A 12 -12.020 -9.801 -17.479 1.00 0.00 C ATOM 149 CG2 ILE A 12 -11.372 -9.723 -15.056 1.00 0.00 C ATOM 150 CD1 ILE A 12 -10.811 -10.477 -18.087 1.00 0.00 C ATOM 0 H ILE A 12 -12.428 -7.004 -17.851 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.725 -8.497 -15.730 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.793 -8.313 -16.548 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.727 -10.564 -17.152 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.521 -9.211 -18.246 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.548 -10.404 -15.270 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.092 -9.062 -14.236 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.254 -10.298 -14.774 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.126 -11.104 -18.921 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.113 -9.720 -18.445 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.322 -11.094 -17.333 1.00 0.00 H new ATOM 162 N ARG A 13 -13.432 -6.643 -14.040 1.00 0.00 N ATOM 163 CA ARG A 13 -13.190 -5.763 -12.902 1.00 0.00 C ATOM 164 C ARG A 13 -12.075 -6.313 -12.018 1.00 0.00 C ATOM 165 O ARG A 13 -11.083 -5.633 -11.758 1.00 0.00 O ATOM 166 CB ARG A 13 -14.470 -5.594 -12.082 1.00 0.00 C ATOM 167 CG ARG A 13 -14.433 -4.406 -11.134 1.00 0.00 C ATOM 168 CD ARG A 13 -15.528 -4.497 -10.083 1.00 0.00 C ATOM 169 NE ARG A 13 -16.824 -4.070 -10.605 1.00 0.00 N ATOM 170 CZ ARG A 13 -17.891 -3.861 -9.841 1.00 0.00 C ATOM 171 NH1 ARG A 13 -17.816 -4.037 -8.529 1.00 0.00 N ATOM 172 NH2 ARG A 13 -19.035 -3.474 -10.390 1.00 0.00 N ATOM 0 H ARG A 13 -14.400 -6.950 -14.138 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.880 -4.790 -13.284 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.314 -5.480 -12.762 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.645 -6.503 -11.506 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.460 -4.360 -10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.548 -3.483 -11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.602 -5.524 -9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.261 -3.879 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.915 -3.924 -11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.938 -4.334 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.637 -3.876 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.096 -3.337 -11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.854 -3.314 -9.803 1.00 0.00 H new ATOM 186 N GLY A 14 -12.246 -7.548 -11.557 1.00 0.00 N ATOM 187 CA GLY A 14 -11.247 -8.168 -10.706 1.00 0.00 C ATOM 188 C GLY A 14 -11.710 -8.298 -9.269 1.00 0.00 C ATOM 189 O GLY A 14 -12.090 -7.319 -8.625 1.00 0.00 O ATOM 0 H GLY A 14 -13.059 -8.131 -11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.004 -9.156 -11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.331 -7.578 -10.737 1.00 0.00 H new ATOM 193 N PRO A 15 -11.683 -9.531 -8.743 1.00 0.00 N ATOM 194 CA PRO A 15 -12.101 -9.815 -7.367 1.00 0.00 C ATOM 195 C PRO A 15 -11.128 -9.250 -6.338 1.00 0.00 C ATOM 196 O PRO A 15 -10.251 -8.452 -6.670 1.00 0.00 O ATOM 197 CB PRO A 15 -12.112 -11.345 -7.308 1.00 0.00 C ATOM 198 CG PRO A 15 -11.146 -11.772 -8.358 1.00 0.00 C ATOM 199 CD PRO A 15 -11.242 -10.744 -9.452 1.00 0.00 C ATOM 0 HA PRO A 15 -13.062 -9.359 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.812 -11.705 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.109 -11.741 -7.502 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.133 -11.823 -7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.391 -12.765 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.283 -10.594 -9.947 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.955 -11.041 -10.221 1.00 0.00 H new ATOM 207 N SER A 16 -11.289 -9.668 -5.086 1.00 0.00 N ATOM 208 CA SER A 16 -10.427 -9.200 -4.007 1.00 0.00 C ATOM 209 C SER A 16 -9.084 -9.923 -4.033 1.00 0.00 C ATOM 210 O SER A 16 -9.027 -11.153 -4.054 1.00 0.00 O ATOM 211 CB SER A 16 -11.107 -9.413 -2.654 1.00 0.00 C ATOM 212 OG SER A 16 -11.661 -10.714 -2.560 1.00 0.00 O ATOM 0 H SER A 16 -12.008 -10.330 -4.794 1.00 0.00 H new ATOM 0 HA SER A 16 -10.250 -8.134 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.383 -9.264 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.892 -8.669 -2.517 1.00 0.00 H new ATOM 0 HG SER A 16 -11.100 -11.345 -3.057 1.00 0.00 H new ATOM 218 N HIS A 17 -8.003 -9.149 -4.032 1.00 0.00 N ATOM 219 CA HIS A 17 -6.658 -9.714 -4.055 1.00 0.00 C ATOM 220 C HIS A 17 -5.823 -9.176 -2.898 1.00 0.00 C ATOM 221 O HIS A 17 -5.910 -7.997 -2.551 1.00 0.00 O ATOM 222 CB HIS A 17 -5.972 -9.399 -5.385 1.00 0.00 C ATOM 223 CG HIS A 17 -6.884 -9.504 -6.569 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.434 -8.405 -7.194 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.339 -10.586 -7.242 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.190 -8.807 -8.200 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.149 -10.126 -8.251 1.00 0.00 N ATOM 0 H HIS A 17 -8.032 -8.130 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.743 -10.795 -3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.560 -8.391 -5.342 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.132 -10.081 -5.522 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.281 -7.434 -6.922 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.108 -11.619 -7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.747 -8.166 -8.867 1.00 0.00 H new ATOM 236 N CYS A 18 -5.013 -10.046 -2.303 1.00 0.00 N ATOM 237 CA CYS A 18 -4.163 -9.659 -1.185 1.00 0.00 C ATOM 238 C CYS A 18 -3.315 -8.441 -1.541 1.00 0.00 C ATOM 239 O CYS A 18 -2.707 -8.386 -2.609 1.00 0.00 O ATOM 240 CB CYS A 18 -3.257 -10.823 -0.779 1.00 0.00 C ATOM 241 SG CYS A 18 -2.194 -10.473 0.658 1.00 0.00 S ATOM 0 H CYS A 18 -4.928 -11.025 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.807 -9.398 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.877 -11.691 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.627 -11.091 -1.627 1.00 0.00 H new ATOM 246 N ALA A 19 -3.281 -7.466 -0.638 1.00 0.00 N ATOM 247 CA ALA A 19 -2.507 -6.250 -0.856 1.00 0.00 C ATOM 248 C ALA A 19 -1.039 -6.463 -0.502 1.00 0.00 C ATOM 249 O ALA A 19 -0.296 -5.506 -0.293 1.00 0.00 O ATOM 250 CB ALA A 19 -3.087 -5.103 -0.043 1.00 0.00 C ATOM 0 H ALA A 19 -3.780 -7.495 0.251 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.565 -5.996 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.499 -4.201 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.119 -4.927 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.059 -5.357 1.017 1.00 0.00 H new ATOM 256 N GLY A 20 -0.628 -7.726 -0.434 1.00 0.00 N ATOM 257 CA GLY A 20 0.749 -8.041 -0.104 1.00 0.00 C ATOM 258 C GLY A 20 1.406 -8.929 -1.142 1.00 0.00 C ATOM 259 O GLY A 20 2.567 -8.726 -1.500 1.00 0.00 O ATOM 0 H GLY A 20 -1.225 -8.536 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.317 -7.116 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.783 -8.536 0.867 1.00 0.00 H new ATOM 263 N CYS A 21 0.663 -9.919 -1.627 1.00 0.00 N ATOM 264 CA CYS A 21 1.180 -10.843 -2.629 1.00 0.00 C ATOM 265 C CYS A 21 0.307 -10.833 -3.880 1.00 0.00 C ATOM 266 O CYS A 21 0.559 -11.570 -4.833 1.00 0.00 O ATOM 267 CB CYS A 21 1.252 -12.260 -2.056 1.00 0.00 C ATOM 268 SG CYS A 21 -0.341 -12.896 -1.443 1.00 0.00 S ATOM 0 H CYS A 21 -0.299 -10.101 -1.342 1.00 0.00 H new ATOM 0 HA CYS A 21 2.183 -10.517 -2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.628 -12.933 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.975 -12.274 -1.240 1.00 0.00 H new ATOM 273 N LYS A 22 -0.721 -9.990 -3.871 1.00 0.00 N ATOM 274 CA LYS A 22 -1.631 -9.881 -5.005 1.00 0.00 C ATOM 275 C LYS A 22 -2.231 -11.239 -5.354 1.00 0.00 C ATOM 276 O LYS A 22 -2.228 -11.648 -6.515 1.00 0.00 O ATOM 277 CB LYS A 22 -0.898 -9.307 -6.220 1.00 0.00 C ATOM 278 CG LYS A 22 -0.598 -7.822 -6.104 1.00 0.00 C ATOM 279 CD LYS A 22 -1.831 -6.980 -6.386 1.00 0.00 C ATOM 280 CE LYS A 22 -1.561 -5.501 -6.155 1.00 0.00 C ATOM 281 NZ LYS A 22 -0.912 -4.865 -7.335 1.00 0.00 N ATOM 0 H LYS A 22 -0.944 -9.372 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.441 -9.207 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.038 -9.848 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.501 -9.479 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.227 -7.602 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.194 -7.554 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.151 -7.136 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.650 -7.306 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.499 -4.990 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.922 -5.381 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.745 -3.858 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.005 -5.336 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.533 -4.957 -8.164 1.00 0.00 H new ATOM 295 N GLU A 23 -2.745 -11.932 -4.343 1.00 0.00 N ATOM 296 CA GLU A 23 -3.349 -13.243 -4.546 1.00 0.00 C ATOM 297 C GLU A 23 -4.808 -13.246 -4.098 1.00 0.00 C ATOM 298 O GLU A 23 -5.144 -12.713 -3.041 1.00 0.00 O ATOM 299 CB GLU A 23 -2.567 -14.313 -3.780 1.00 0.00 C ATOM 300 CG GLU A 23 -1.282 -14.739 -4.470 1.00 0.00 C ATOM 301 CD GLU A 23 -0.407 -15.609 -3.589 1.00 0.00 C ATOM 302 OE1 GLU A 23 -0.951 -16.270 -2.680 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.822 -15.629 -3.809 1.00 0.00 O ATOM 0 H GLU A 23 -2.755 -11.608 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.314 -13.470 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.328 -13.934 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.203 -15.188 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.527 -15.283 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.723 -13.852 -4.768 1.00 0.00 H new ATOM 310 N GLU A 24 -5.669 -13.850 -4.911 1.00 0.00 N ATOM 311 CA GLU A 24 -7.092 -13.920 -4.599 1.00 0.00 C ATOM 312 C GLU A 24 -7.314 -14.465 -3.191 1.00 0.00 C ATOM 313 O GLU A 24 -6.858 -15.559 -2.858 1.00 0.00 O ATOM 314 CB GLU A 24 -7.817 -14.801 -5.619 1.00 0.00 C ATOM 315 CG GLU A 24 -9.305 -14.946 -5.349 1.00 0.00 C ATOM 316 CD GLU A 24 -9.999 -15.831 -6.366 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.481 -16.933 -6.643 1.00 0.00 O ATOM 318 OE2 GLU A 24 -11.059 -15.423 -6.884 1.00 0.00 O ATOM 0 H GLU A 24 -5.407 -14.297 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.499 -12.910 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.676 -14.381 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.359 -15.790 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.451 -15.362 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.769 -13.960 -5.354 1.00 0.00 H new ATOM 325 N ILE A 25 -8.017 -13.693 -2.369 1.00 0.00 N ATOM 326 CA ILE A 25 -8.300 -14.097 -0.998 1.00 0.00 C ATOM 327 C ILE A 25 -9.635 -14.828 -0.904 1.00 0.00 C ATOM 328 O ILE A 25 -10.611 -14.446 -1.551 1.00 0.00 O ATOM 329 CB ILE A 25 -8.323 -12.886 -0.047 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.959 -12.192 -0.037 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.711 -13.323 1.358 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.962 -10.865 0.689 1.00 0.00 C ATOM 0 H ILE A 25 -8.401 -12.784 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.498 -14.770 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.069 -12.176 -0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.228 -12.851 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.633 -12.034 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.723 -12.456 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.702 -13.777 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.987 -14.050 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.963 -10.430 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.668 -10.189 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.257 -11.019 1.727 1.00 0.00 H new ATOM 344 N LYS A 26 -9.672 -15.880 -0.094 1.00 0.00 N ATOM 345 CA LYS A 26 -10.888 -16.663 0.088 1.00 0.00 C ATOM 346 C LYS A 26 -11.798 -16.022 1.131 1.00 0.00 C ATOM 347 O LYS A 26 -11.395 -15.096 1.836 1.00 0.00 O ATOM 348 CB LYS A 26 -10.540 -18.093 0.509 1.00 0.00 C ATOM 349 CG LYS A 26 -9.959 -18.934 -0.614 1.00 0.00 C ATOM 350 CD LYS A 26 -9.541 -20.309 -0.122 1.00 0.00 C ATOM 351 CE LYS A 26 -8.476 -20.922 -1.019 1.00 0.00 C ATOM 352 NZ LYS A 26 -9.031 -21.336 -2.337 1.00 0.00 N ATOM 0 H LYS A 26 -8.873 -16.210 0.447 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.419 -16.689 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.825 -18.057 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.438 -18.580 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.697 -19.040 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.098 -18.423 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.160 -20.232 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.411 -20.965 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.673 -20.201 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.037 -21.787 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.274 -21.749 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.780 -22.043 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.427 -20.506 -2.823 1.00 0.00 H new ATOM 366 N HIS A 27 -13.026 -16.521 1.226 1.00 0.00 N ATOM 367 CA HIS A 27 -13.993 -15.998 2.185 1.00 0.00 C ATOM 368 C HIS A 27 -13.905 -16.750 3.510 1.00 0.00 C ATOM 369 O HIS A 27 -14.381 -17.878 3.627 1.00 0.00 O ATOM 370 CB HIS A 27 -15.410 -16.099 1.621 1.00 0.00 C ATOM 371 CG HIS A 27 -15.600 -15.345 0.340 1.00 0.00 C ATOM 372 ND1 HIS A 27 -15.478 -13.975 0.249 1.00 0.00 N ATOM 373 CD2 HIS A 27 -15.904 -15.779 -0.905 1.00 0.00 C ATOM 374 CE1 HIS A 27 -15.700 -13.598 -0.998 1.00 0.00 C ATOM 375 NE2 HIS A 27 -15.960 -14.674 -1.719 1.00 0.00 N ATOM 0 H HIS A 27 -13.375 -17.287 0.650 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.757 -14.949 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.652 -17.149 1.455 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.115 -15.723 2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.071 -16.803 -1.203 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.673 -12.583 -1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -16.168 -14.683 -2.717 1.00 0.00 H new ATOM 384 N GLY A 28 -13.292 -16.116 4.505 1.00 0.00 N ATOM 385 CA GLY A 28 -13.152 -16.741 5.808 1.00 0.00 C ATOM 386 C GLY A 28 -11.794 -16.486 6.430 1.00 0.00 C ATOM 387 O GLY A 28 -11.700 -16.126 7.603 1.00 0.00 O ATOM 0 H GLY A 28 -12.890 -15.181 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.929 -16.365 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.308 -17.815 5.711 1.00 0.00 H new ATOM 391 N GLN A 29 -10.739 -16.675 5.644 1.00 0.00 N ATOM 392 CA GLN A 29 -9.380 -16.465 6.127 1.00 0.00 C ATOM 393 C GLN A 29 -8.773 -15.207 5.515 1.00 0.00 C ATOM 394 O GLN A 29 -8.051 -15.274 4.520 1.00 0.00 O ATOM 395 CB GLN A 29 -8.506 -17.678 5.799 1.00 0.00 C ATOM 396 CG GLN A 29 -8.982 -18.964 6.455 1.00 0.00 C ATOM 397 CD GLN A 29 -8.646 -20.195 5.635 1.00 0.00 C ATOM 398 OE1 GLN A 29 -7.887 -20.123 4.669 1.00 0.00 O ATOM 399 NE2 GLN A 29 -9.212 -21.334 6.018 1.00 0.00 N ATOM 0 H GLN A 29 -10.800 -16.973 4.670 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.422 -16.337 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.483 -17.818 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.483 -17.475 6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.528 -19.054 7.442 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.061 -18.914 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.835 -21.348 6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.023 -22.195 5.505 1.00 0.00 H new ATOM 408 N SER A 30 -9.071 -14.059 6.117 1.00 0.00 N ATOM 409 CA SER A 30 -8.558 -12.785 5.628 1.00 0.00 C ATOM 410 C SER A 30 -8.298 -11.825 6.785 1.00 0.00 C ATOM 411 O SER A 30 -8.771 -12.038 7.903 1.00 0.00 O ATOM 412 CB SER A 30 -9.545 -12.157 4.642 1.00 0.00 C ATOM 413 OG SER A 30 -10.819 -11.982 5.238 1.00 0.00 O ATOM 0 H SER A 30 -9.665 -13.986 6.943 1.00 0.00 H new ATOM 0 HA SER A 30 -7.615 -12.974 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.163 -11.194 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.636 -12.791 3.760 1.00 0.00 H new ATOM 0 HG SER A 30 -11.431 -11.578 4.588 1.00 0.00 H new ATOM 419 N LEU A 31 -7.543 -10.767 6.510 1.00 0.00 N ATOM 420 CA LEU A 31 -7.219 -9.772 7.526 1.00 0.00 C ATOM 421 C LEU A 31 -7.560 -8.367 7.042 1.00 0.00 C ATOM 422 O LEU A 31 -6.936 -7.850 6.114 1.00 0.00 O ATOM 423 CB LEU A 31 -5.736 -9.852 7.892 1.00 0.00 C ATOM 424 CG LEU A 31 -5.365 -9.382 9.299 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.007 -9.935 9.705 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.367 -7.862 9.371 1.00 0.00 C ATOM 0 H LEU A 31 -7.144 -10.576 5.591 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.818 -9.986 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.410 -10.886 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.172 -9.259 7.172 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.112 -9.760 9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.759 -9.590 10.709 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.039 -11.024 9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.248 -9.587 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.101 -7.545 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.642 -7.463 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.360 -7.487 9.123 1.00 0.00 H new ATOM 438 N LEU A 32 -8.553 -7.752 7.676 1.00 0.00 N ATOM 439 CA LEU A 32 -8.976 -6.405 7.311 1.00 0.00 C ATOM 440 C LEU A 32 -8.002 -5.363 7.853 1.00 0.00 C ATOM 441 O LEU A 32 -7.715 -5.330 9.049 1.00 0.00 O ATOM 442 CB LEU A 32 -10.383 -6.129 7.843 1.00 0.00 C ATOM 443 CG LEU A 32 -11.539 -6.571 6.945 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.637 -5.674 5.721 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.366 -8.025 6.530 1.00 0.00 C ATOM 0 H LEU A 32 -9.080 -8.165 8.445 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.986 -6.336 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.489 -6.625 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.478 -5.058 8.023 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.467 -6.483 7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.465 -6.004 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.808 -4.645 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.708 -5.730 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.198 -8.323 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.430 -8.138 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.346 -8.657 7.418 1.00 0.00 H new ATOM 457 N ALA A 33 -7.499 -4.512 6.964 1.00 0.00 N ATOM 458 CA ALA A 33 -6.561 -3.467 7.353 1.00 0.00 C ATOM 459 C ALA A 33 -6.448 -2.400 6.270 1.00 0.00 C ATOM 460 O ALA A 33 -6.334 -2.714 5.084 1.00 0.00 O ATOM 461 CB ALA A 33 -5.195 -4.067 7.651 1.00 0.00 C ATOM 0 H ALA A 33 -7.726 -4.526 5.970 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.941 -2.991 8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.505 -3.275 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.283 -4.786 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.817 -4.571 6.761 1.00 0.00 H new ATOM 467 N LEU A 34 -6.480 -1.138 6.683 1.00 0.00 N ATOM 468 CA LEU A 34 -6.382 -0.023 5.748 1.00 0.00 C ATOM 469 C LEU A 34 -7.391 -0.173 4.614 1.00 0.00 C ATOM 470 O LEU A 34 -7.067 0.048 3.447 1.00 0.00 O ATOM 471 CB LEU A 34 -4.966 0.065 5.176 1.00 0.00 C ATOM 472 CG LEU A 34 -3.880 0.541 6.142 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.586 -0.529 7.182 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.615 0.911 5.383 1.00 0.00 C ATOM 0 H LEU A 34 -6.573 -0.861 7.660 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.607 0.895 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.685 -0.919 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.983 0.739 4.319 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.243 1.430 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.811 -0.173 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.492 -0.746 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.244 -1.436 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.854 1.247 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.248 0.040 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.835 1.712 4.677 1.00 0.00 H new ATOM 486 N ASP A 35 -8.616 -0.548 4.966 1.00 0.00 N ATOM 487 CA ASP A 35 -9.675 -0.724 3.978 1.00 0.00 C ATOM 488 C ASP A 35 -9.236 -1.683 2.876 1.00 0.00 C ATOM 489 O ASP A 35 -9.723 -1.614 1.747 1.00 0.00 O ATOM 490 CB ASP A 35 -10.066 0.625 3.372 1.00 0.00 C ATOM 491 CG ASP A 35 -10.888 1.471 4.324 1.00 0.00 C ATOM 492 OD1 ASP A 35 -10.777 1.263 5.550 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.641 2.343 3.842 1.00 0.00 O ATOM 0 H ASP A 35 -8.900 -0.736 5.927 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.542 -1.151 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.164 1.170 3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.634 0.458 2.457 1.00 0.00 H new ATOM 498 N LYS A 36 -8.313 -2.578 3.211 1.00 0.00 N ATOM 499 CA LYS A 36 -7.807 -3.552 2.251 1.00 0.00 C ATOM 500 C LYS A 36 -7.902 -4.968 2.811 1.00 0.00 C ATOM 501 O LYS A 36 -8.370 -5.171 3.931 1.00 0.00 O ATOM 502 CB LYS A 36 -6.355 -3.233 1.886 1.00 0.00 C ATOM 503 CG LYS A 36 -6.218 -2.322 0.678 1.00 0.00 C ATOM 504 CD LYS A 36 -4.861 -1.639 0.646 1.00 0.00 C ATOM 505 CE LYS A 36 -4.515 -1.152 -0.752 1.00 0.00 C ATOM 506 NZ LYS A 36 -3.314 -0.271 -0.751 1.00 0.00 N ATOM 0 H LYS A 36 -7.900 -2.649 4.141 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.422 -3.493 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.869 -2.764 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.825 -4.165 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.356 -2.903 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.005 -1.568 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.861 -0.796 1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.095 -2.333 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.336 -2.009 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.364 -0.609 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.111 0.040 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.493 0.560 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.498 -0.797 -0.378 1.00 0.00 H new ATOM 520 N GLN A 37 -7.454 -5.941 2.025 1.00 0.00 N ATOM 521 CA GLN A 37 -7.489 -7.338 2.444 1.00 0.00 C ATOM 522 C GLN A 37 -6.106 -7.972 2.339 1.00 0.00 C ATOM 523 O GLN A 37 -5.550 -8.095 1.248 1.00 0.00 O ATOM 524 CB GLN A 37 -8.489 -8.123 1.594 1.00 0.00 C ATOM 525 CG GLN A 37 -9.933 -7.695 1.803 1.00 0.00 C ATOM 526 CD GLN A 37 -10.884 -8.353 0.823 1.00 0.00 C ATOM 527 OE1 GLN A 37 -10.667 -9.488 0.396 1.00 0.00 O ATOM 528 NE2 GLN A 37 -11.946 -7.643 0.461 1.00 0.00 N ATOM 0 H GLN A 37 -7.063 -5.789 1.095 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.806 -7.371 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.232 -8.003 0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.396 -9.184 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.237 -7.942 2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.005 -6.612 1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.086 -6.706 0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.621 -8.034 -0.196 1.00 0.00 H new ATOM 537 N TRP A 38 -5.556 -8.372 3.480 1.00 0.00 N ATOM 538 CA TRP A 38 -4.237 -8.994 3.516 1.00 0.00 C ATOM 539 C TRP A 38 -4.300 -10.366 4.177 1.00 0.00 C ATOM 540 O TRP A 38 -5.138 -10.609 5.046 1.00 0.00 O ATOM 541 CB TRP A 38 -3.249 -8.098 4.264 1.00 0.00 C ATOM 542 CG TRP A 38 -3.462 -6.636 4.010 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.568 -5.902 4.329 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.545 -5.733 3.382 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.395 -4.596 3.937 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.162 -4.467 3.355 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.263 -5.870 2.843 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.539 -3.348 2.808 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.647 -4.759 2.301 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.284 -3.511 2.287 1.00 0.00 C ATOM 0 H TRP A 38 -6.003 -8.277 4.392 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.895 -9.122 2.489 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.334 -8.290 5.334 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.234 -8.366 3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.449 -6.290 4.818 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.074 -3.845 4.060 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.763 -6.827 2.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.029 -2.386 2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.343 -4.854 1.880 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.775 -2.661 1.857 1.00 0.00 H new ATOM 561 N HIS A 39 -3.409 -11.260 3.761 1.00 0.00 N ATOM 562 CA HIS A 39 -3.363 -12.609 4.314 1.00 0.00 C ATOM 563 C HIS A 39 -2.900 -12.584 5.768 1.00 0.00 C ATOM 564 O HIS A 39 -2.473 -11.548 6.277 1.00 0.00 O ATOM 565 CB HIS A 39 -2.431 -13.493 3.485 1.00 0.00 C ATOM 566 CG HIS A 39 -3.020 -13.921 2.176 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.281 -14.026 1.017 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.285 -14.275 1.848 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.066 -14.423 0.031 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.287 -14.582 0.509 1.00 0.00 N ATOM 0 H HIS A 39 -2.709 -11.075 3.043 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.370 -13.024 4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.503 -12.953 3.297 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.173 -14.379 4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.134 -14.310 2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.761 -14.589 -0.992 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.099 -14.884 -0.029 1.00 0.00 H new ATOM 578 N VAL A 40 -2.987 -13.733 6.432 1.00 0.00 N ATOM 579 CA VAL A 40 -2.577 -13.843 7.826 1.00 0.00 C ATOM 580 C VAL A 40 -1.057 -13.868 7.952 1.00 0.00 C ATOM 581 O VAL A 40 -0.511 -13.686 9.039 1.00 0.00 O ATOM 582 CB VAL A 40 -3.156 -15.109 8.484 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.756 -15.181 9.949 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.670 -15.141 8.334 1.00 0.00 C ATOM 0 H VAL A 40 -3.338 -14.600 6.026 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.967 -12.965 8.340 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.744 -15.982 7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.175 -16.082 10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.669 -15.207 10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.137 -14.305 10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.063 -16.042 8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.102 -14.263 8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.931 -15.141 7.276 1.00 0.00 H new ATOM 594 N SER A 41 -0.380 -14.095 6.830 1.00 0.00 N ATOM 595 CA SER A 41 1.077 -14.148 6.815 1.00 0.00 C ATOM 596 C SER A 41 1.649 -13.088 5.878 1.00 0.00 C ATOM 597 O SER A 41 2.811 -13.160 5.476 1.00 0.00 O ATOM 598 CB SER A 41 1.553 -15.537 6.383 1.00 0.00 C ATOM 599 OG SER A 41 0.971 -15.914 5.148 1.00 0.00 O ATOM 0 H SER A 41 -0.817 -14.245 5.921 1.00 0.00 H new ATOM 0 HA SER A 41 1.434 -13.947 7.825 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.639 -15.541 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.294 -16.268 7.149 1.00 0.00 H new ATOM 0 HG SER A 41 1.292 -16.804 4.893 1.00 0.00 H new ATOM 605 N CYS A 42 0.824 -12.104 5.535 1.00 0.00 N ATOM 606 CA CYS A 42 1.245 -11.028 4.646 1.00 0.00 C ATOM 607 C CYS A 42 1.172 -9.678 5.353 1.00 0.00 C ATOM 608 O CYS A 42 2.038 -8.822 5.172 1.00 0.00 O ATOM 609 CB CYS A 42 0.373 -11.006 3.389 1.00 0.00 C ATOM 610 SG CYS A 42 0.758 -12.326 2.194 1.00 0.00 S ATOM 0 H CYS A 42 -0.140 -12.030 5.859 1.00 0.00 H new ATOM 0 HA CYS A 42 2.280 -11.212 4.359 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.673 -11.091 3.684 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.488 -10.040 2.897 1.00 0.00 H new ATOM 615 N PHE A 43 0.131 -9.495 6.159 1.00 0.00 N ATOM 616 CA PHE A 43 -0.057 -8.249 6.893 1.00 0.00 C ATOM 617 C PHE A 43 1.060 -8.045 7.913 1.00 0.00 C ATOM 618 O PHE A 43 0.929 -8.421 9.079 1.00 0.00 O ATOM 619 CB PHE A 43 -1.414 -8.248 7.600 1.00 0.00 C ATOM 620 CG PHE A 43 -1.823 -6.897 8.111 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.704 -5.773 7.310 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.326 -6.750 9.394 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.079 -4.528 7.778 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.703 -5.508 9.867 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.579 -4.395 9.059 1.00 0.00 C ATOM 0 H PHE A 43 -0.595 -10.193 6.320 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.027 -7.427 6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.175 -8.612 6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.380 -8.948 8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.313 -5.871 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.424 -7.616 10.031 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.981 -3.660 7.143 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.095 -5.407 10.868 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.872 -3.423 9.428 1.00 0.00 H new ATOM 635 N LYS A 44 2.159 -7.448 7.466 1.00 0.00 N ATOM 636 CA LYS A 44 3.300 -7.192 8.338 1.00 0.00 C ATOM 637 C LYS A 44 3.817 -5.769 8.154 1.00 0.00 C ATOM 638 O LYS A 44 3.490 -5.101 7.173 1.00 0.00 O ATOM 639 CB LYS A 44 4.421 -8.194 8.052 1.00 0.00 C ATOM 640 CG LYS A 44 4.620 -8.478 6.574 1.00 0.00 C ATOM 641 CD LYS A 44 6.025 -8.980 6.287 1.00 0.00 C ATOM 642 CE LYS A 44 6.097 -10.499 6.341 1.00 0.00 C ATOM 643 NZ LYS A 44 6.422 -10.990 7.708 1.00 0.00 N ATOM 0 H LYS A 44 2.284 -7.132 6.504 1.00 0.00 H new ATOM 0 HA LYS A 44 2.970 -7.309 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.353 -7.812 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.201 -9.129 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.893 -9.220 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.432 -7.571 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.342 -8.635 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.719 -8.556 7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.144 -10.919 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.853 -10.852 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.915 -11.903 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.035 -10.300 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.544 -11.110 8.252 1.00 0.00 H new ATOM 657 N CYS A 45 4.626 -5.311 9.104 1.00 0.00 N ATOM 658 CA CYS A 45 5.189 -3.967 9.047 1.00 0.00 C ATOM 659 C CYS A 45 5.814 -3.697 7.681 1.00 0.00 C ATOM 660 O CYS A 45 6.008 -4.615 6.884 1.00 0.00 O ATOM 661 CB CYS A 45 6.239 -3.785 10.145 1.00 0.00 C ATOM 662 SG CYS A 45 6.734 -2.053 10.419 1.00 0.00 S ATOM 0 H CYS A 45 4.906 -5.851 9.923 1.00 0.00 H new ATOM 0 HA CYS A 45 4.380 -3.254 9.205 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.849 -4.192 11.078 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.123 -4.368 9.888 1.00 0.00 H new ATOM 667 N GLN A 46 6.126 -2.432 7.419 1.00 0.00 N ATOM 668 CA GLN A 46 6.728 -2.041 6.150 1.00 0.00 C ATOM 669 C GLN A 46 8.196 -1.669 6.335 1.00 0.00 C ATOM 670 O GLN A 46 8.951 -1.576 5.368 1.00 0.00 O ATOM 671 CB GLN A 46 5.965 -0.864 5.540 1.00 0.00 C ATOM 672 CG GLN A 46 6.650 -0.258 4.326 1.00 0.00 C ATOM 673 CD GLN A 46 6.789 -1.242 3.181 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.892 -1.502 2.701 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.666 -1.796 2.738 1.00 0.00 N ATOM 0 H GLN A 46 5.972 -1.661 8.068 1.00 0.00 H new ATOM 0 HA GLN A 46 6.670 -2.893 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.967 -1.197 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.838 -0.092 6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.082 0.609 3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.638 0.101 4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.773 -1.551 3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.697 -2.466 1.970 1.00 0.00 H new ATOM 684 N THR A 47 8.594 -1.456 7.586 1.00 0.00 N ATOM 685 CA THR A 47 9.970 -1.093 7.899 1.00 0.00 C ATOM 686 C THR A 47 10.767 -2.306 8.365 1.00 0.00 C ATOM 687 O THR A 47 11.922 -2.488 7.981 1.00 0.00 O ATOM 688 CB THR A 47 10.030 -0.004 8.986 1.00 0.00 C ATOM 689 OG1 THR A 47 9.708 1.272 8.421 1.00 0.00 O ATOM 690 CG2 THR A 47 11.412 0.051 9.621 1.00 0.00 C ATOM 0 H THR A 47 7.982 -1.529 8.399 1.00 0.00 H new ATOM 0 HA THR A 47 10.411 -0.704 6.981 1.00 0.00 H new ATOM 0 HB THR A 47 9.302 -0.253 9.758 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.284 1.834 9.103 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.430 0.827 10.386 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.642 -0.912 10.076 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.155 0.277 8.856 1.00 0.00 H new ATOM 698 N CYS A 48 10.142 -3.134 9.196 1.00 0.00 N ATOM 699 CA CYS A 48 10.793 -4.331 9.715 1.00 0.00 C ATOM 700 C CYS A 48 10.186 -5.589 9.102 1.00 0.00 C ATOM 701 O CYS A 48 10.805 -6.653 9.103 1.00 0.00 O ATOM 702 CB CYS A 48 10.669 -4.383 11.239 1.00 0.00 C ATOM 703 SG CYS A 48 8.965 -4.612 11.840 1.00 0.00 S ATOM 0 H CYS A 48 9.186 -2.998 9.524 1.00 0.00 H new ATOM 0 HA CYS A 48 11.848 -4.288 9.443 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.288 -5.197 11.615 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.069 -3.459 11.657 1.00 0.00 H new ATOM 708 N SER A 49 8.972 -5.459 8.577 1.00 0.00 N ATOM 709 CA SER A 49 8.279 -6.586 7.963 1.00 0.00 C ATOM 710 C SER A 49 7.911 -7.633 9.010 1.00 0.00 C ATOM 711 O SER A 49 8.124 -8.829 8.810 1.00 0.00 O ATOM 712 CB SER A 49 9.153 -7.219 6.878 1.00 0.00 C ATOM 713 OG SER A 49 10.008 -8.208 7.425 1.00 0.00 O ATOM 0 H SER A 49 8.448 -4.584 8.564 1.00 0.00 H new ATOM 0 HA SER A 49 7.361 -6.213 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.520 -7.665 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.749 -6.447 6.391 1.00 0.00 H new ATOM 0 HG SER A 49 10.655 -7.785 8.028 1.00 0.00 H new ATOM 719 N VAL A 50 7.356 -7.174 10.127 1.00 0.00 N ATOM 720 CA VAL A 50 6.956 -8.069 11.206 1.00 0.00 C ATOM 721 C VAL A 50 5.442 -8.241 11.245 1.00 0.00 C ATOM 722 O VAL A 50 4.696 -7.261 11.251 1.00 0.00 O ATOM 723 CB VAL A 50 7.439 -7.551 12.574 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.610 -6.353 13.014 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.382 -8.659 13.614 1.00 0.00 C ATOM 0 H VAL A 50 7.173 -6.187 10.308 1.00 0.00 H new ATOM 0 HA VAL A 50 7.423 -9.033 11.006 1.00 0.00 H new ATOM 0 HB VAL A 50 8.476 -7.230 12.476 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.965 -6.001 13.982 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.707 -5.554 12.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.563 -6.645 13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.727 -8.275 14.574 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.356 -9.013 13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.022 -9.484 13.302 1.00 0.00 H new ATOM 735 N ILE A 51 4.994 -9.491 11.272 1.00 0.00 N ATOM 736 CA ILE A 51 3.568 -9.791 11.312 1.00 0.00 C ATOM 737 C ILE A 51 2.844 -8.887 12.305 1.00 0.00 C ATOM 738 O ILE A 51 3.332 -8.643 13.409 1.00 0.00 O ATOM 739 CB ILE A 51 3.312 -11.261 11.693 1.00 0.00 C ATOM 740 CG1 ILE A 51 3.939 -12.196 10.656 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.819 -11.524 11.817 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.232 -12.174 9.318 1.00 0.00 C ATOM 0 H ILE A 51 5.598 -10.313 11.267 1.00 0.00 H new ATOM 0 HA ILE A 51 3.180 -9.611 10.310 1.00 0.00 H new ATOM 0 HB ILE A 51 3.777 -11.457 12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.983 -11.917 10.511 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.932 -13.214 11.045 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.654 -12.567 12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.399 -10.879 12.589 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.332 -11.314 10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.730 -12.860 8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.195 -12.482 9.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.262 -11.165 8.907 1.00 0.00 H new ATOM 754 N LEU A 52 1.678 -8.394 11.905 1.00 0.00 N ATOM 755 CA LEU A 52 0.884 -7.518 12.759 1.00 0.00 C ATOM 756 C LEU A 52 -0.518 -8.083 12.967 1.00 0.00 C ATOM 757 O LEU A 52 -1.349 -8.060 12.059 1.00 0.00 O ATOM 758 CB LEU A 52 0.796 -6.119 12.148 1.00 0.00 C ATOM 759 CG LEU A 52 2.129 -5.444 11.821 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.921 -4.292 10.851 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.807 -4.957 13.093 1.00 0.00 C ATOM 0 H LEU A 52 1.261 -8.586 10.994 1.00 0.00 H new ATOM 0 HA LEU A 52 1.378 -7.454 13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.209 -6.181 11.232 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.246 -5.478 12.837 1.00 0.00 H new ATOM 0 HG LEU A 52 2.779 -6.179 11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.881 -3.824 10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.480 -4.669 9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.253 -3.556 11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.754 -4.480 12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.161 -4.238 13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.992 -5.804 13.754 1.00 0.00 H new ATOM 773 N THR A 53 -0.774 -8.589 14.169 1.00 0.00 N ATOM 774 CA THR A 53 -2.075 -9.159 14.497 1.00 0.00 C ATOM 775 C THR A 53 -2.583 -8.637 15.836 1.00 0.00 C ATOM 776 O THR A 53 -3.772 -8.366 15.997 1.00 0.00 O ATOM 777 CB THR A 53 -2.017 -10.698 14.547 1.00 0.00 C ATOM 778 OG1 THR A 53 -3.190 -11.211 15.190 1.00 0.00 O ATOM 779 CG2 THR A 53 -0.777 -11.169 15.292 1.00 0.00 C ATOM 0 H THR A 53 -0.097 -8.616 14.932 1.00 0.00 H new ATOM 0 HA THR A 53 -2.762 -8.854 13.708 1.00 0.00 H new ATOM 0 HB THR A 53 -1.970 -11.072 13.524 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.147 -12.190 15.217 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.758 -12.259 15.314 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.114 -10.801 14.784 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.798 -10.786 16.312 1.00 0.00 H new ATOM 787 N GLY A 54 -1.673 -8.496 16.795 1.00 0.00 N ATOM 788 CA GLY A 54 -2.049 -8.006 18.108 1.00 0.00 C ATOM 789 C GLY A 54 -2.216 -6.500 18.138 1.00 0.00 C ATOM 790 O GLY A 54 -3.308 -5.996 18.399 1.00 0.00 O ATOM 0 H GLY A 54 -0.682 -8.712 16.686 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.982 -8.478 18.415 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.290 -8.299 18.833 1.00 0.00 H new ATOM 794 N GLU A 55 -1.131 -5.779 17.872 1.00 0.00 N ATOM 795 CA GLU A 55 -1.164 -4.322 17.873 1.00 0.00 C ATOM 796 C GLU A 55 -0.326 -3.758 16.728 1.00 0.00 C ATOM 797 O GLU A 55 0.720 -4.307 16.382 1.00 0.00 O ATOM 798 CB GLU A 55 -0.653 -3.778 19.209 1.00 0.00 C ATOM 799 CG GLU A 55 -1.589 -4.050 20.374 1.00 0.00 C ATOM 800 CD GLU A 55 -1.003 -3.622 21.706 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.637 -2.436 21.840 1.00 0.00 O ATOM 802 OE2 GLU A 55 -0.910 -4.475 22.613 1.00 0.00 O ATOM 0 H GLU A 55 -0.219 -6.180 17.653 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.198 -4.008 17.733 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.320 -4.221 19.424 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.501 -2.702 19.120 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.530 -3.525 20.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.820 -5.115 20.408 1.00 0.00 H new ATOM 809 N TYR A 56 -0.794 -2.660 16.145 1.00 0.00 N ATOM 810 CA TYR A 56 -0.091 -2.024 15.038 1.00 0.00 C ATOM 811 C TYR A 56 -0.675 -0.645 14.743 1.00 0.00 C ATOM 812 O TYR A 56 -1.811 -0.348 15.113 1.00 0.00 O ATOM 813 CB TYR A 56 -0.167 -2.900 13.787 1.00 0.00 C ATOM 814 CG TYR A 56 -1.440 -2.715 12.993 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.587 -3.435 13.304 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.496 -1.820 11.931 1.00 0.00 C ATOM 817 CE1 TYR A 56 -3.752 -3.269 12.581 1.00 0.00 C ATOM 818 CE2 TYR A 56 -2.658 -1.647 11.204 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.783 -2.374 11.533 1.00 0.00 C ATOM 820 OH TYR A 56 -4.942 -2.205 10.810 1.00 0.00 O ATOM 0 H TYR A 56 -1.657 -2.192 16.421 1.00 0.00 H new ATOM 0 HA TYR A 56 0.953 -1.903 15.326 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.686 -2.678 13.146 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.081 -3.946 14.081 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.567 -4.136 14.125 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.616 -1.250 11.670 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.634 -3.838 12.835 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.685 -0.946 10.383 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.795 -1.538 10.108 1.00 0.00 H new ATOM 830 N ILE A 57 0.111 0.191 14.072 1.00 0.00 N ATOM 831 CA ILE A 57 -0.327 1.537 13.725 1.00 0.00 C ATOM 832 C ILE A 57 -0.183 1.793 12.229 1.00 0.00 C ATOM 833 O ILE A 57 0.832 1.448 11.624 1.00 0.00 O ATOM 834 CB ILE A 57 0.470 2.605 14.497 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.747 2.133 15.925 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.286 3.926 14.507 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.029 2.687 16.507 1.00 0.00 C ATOM 0 H ILE A 57 1.054 -0.040 13.758 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.378 1.609 14.004 1.00 0.00 H new ATOM 0 HB ILE A 57 1.425 2.759 13.994 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.087 2.423 16.563 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.793 1.044 15.937 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.290 4.671 15.056 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.436 4.267 13.483 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.254 3.788 14.989 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.161 2.310 17.521 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.873 2.375 15.892 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.978 3.776 16.528 1.00 0.00 H new ATOM 849 N SER A 58 -1.206 2.403 11.637 1.00 0.00 N ATOM 850 CA SER A 58 -1.194 2.704 10.211 1.00 0.00 C ATOM 851 C SER A 58 -0.779 4.152 9.964 1.00 0.00 C ATOM 852 O SER A 58 -1.263 5.070 10.626 1.00 0.00 O ATOM 853 CB SER A 58 -2.574 2.447 9.602 1.00 0.00 C ATOM 854 OG SER A 58 -2.696 3.068 8.334 1.00 0.00 O ATOM 0 H SER A 58 -2.053 2.698 12.123 1.00 0.00 H new ATOM 0 HA SER A 58 -0.466 2.049 9.733 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.737 1.374 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.347 2.825 10.271 1.00 0.00 H new ATOM 0 HG SER A 58 -3.629 3.025 8.037 1.00 0.00 H new ATOM 860 N LYS A 59 0.122 4.347 9.007 1.00 0.00 N ATOM 861 CA LYS A 59 0.603 5.682 8.671 1.00 0.00 C ATOM 862 C LYS A 59 0.531 5.923 7.166 1.00 0.00 C ATOM 863 O LYS A 59 0.908 5.062 6.371 1.00 0.00 O ATOM 864 CB LYS A 59 2.042 5.865 9.158 1.00 0.00 C ATOM 865 CG LYS A 59 2.358 7.283 9.603 1.00 0.00 C ATOM 866 CD LYS A 59 2.714 8.171 8.422 1.00 0.00 C ATOM 867 CE LYS A 59 2.438 9.636 8.724 1.00 0.00 C ATOM 868 NZ LYS A 59 2.900 10.526 7.622 1.00 0.00 N ATOM 0 H LYS A 59 0.534 3.598 8.451 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.039 6.409 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.225 5.183 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.726 5.583 8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.499 7.701 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.187 7.267 10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.767 8.042 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.139 7.864 7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.369 9.779 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.938 9.916 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.649 11.511 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.932 10.446 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.442 10.243 6.732 1.00 0.00 H new ATOM 882 N ASP A 60 0.045 7.098 6.783 1.00 0.00 N ATOM 883 CA ASP A 60 -0.074 7.453 5.373 1.00 0.00 C ATOM 884 C ASP A 60 -0.513 6.250 4.545 1.00 0.00 C ATOM 885 O ASP A 60 -0.127 6.107 3.386 1.00 0.00 O ATOM 886 CB ASP A 60 1.257 7.992 4.847 1.00 0.00 C ATOM 887 CG ASP A 60 1.103 8.732 3.532 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.507 9.829 3.536 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.577 8.213 2.500 1.00 0.00 O ATOM 0 H ASP A 60 -0.273 7.821 7.428 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.833 8.230 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.693 8.662 5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.954 7.165 4.715 1.00 0.00 H new ATOM 894 N GLY A 61 -1.323 5.385 5.150 1.00 0.00 N ATOM 895 CA GLY A 61 -1.800 4.205 4.453 1.00 0.00 C ATOM 896 C GLY A 61 -0.764 3.099 4.410 1.00 0.00 C ATOM 897 O GLY A 61 -0.636 2.397 3.407 1.00 0.00 O ATOM 0 H GLY A 61 -1.657 5.481 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.701 3.836 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.080 4.476 3.435 1.00 0.00 H new ATOM 901 N VAL A 62 -0.020 2.944 5.501 1.00 0.00 N ATOM 902 CA VAL A 62 1.011 1.916 5.583 1.00 0.00 C ATOM 903 C VAL A 62 1.076 1.314 6.982 1.00 0.00 C ATOM 904 O VAL A 62 1.184 2.021 7.985 1.00 0.00 O ATOM 905 CB VAL A 62 2.396 2.479 5.213 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.431 1.366 5.172 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.334 3.210 3.880 1.00 0.00 C ATOM 0 H VAL A 62 -0.112 3.517 6.340 1.00 0.00 H new ATOM 0 HA VAL A 62 0.741 1.139 4.868 1.00 0.00 H new ATOM 0 HB VAL A 62 2.696 3.193 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.403 1.783 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.493 0.890 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.140 0.626 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.321 3.602 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.013 2.519 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.624 4.034 3.950 1.00 0.00 H new ATOM 917 N PRO A 63 1.011 -0.024 7.055 1.00 0.00 N ATOM 918 CA PRO A 63 1.062 -0.751 8.327 1.00 0.00 C ATOM 919 C PRO A 63 2.440 -0.685 8.977 1.00 0.00 C ATOM 920 O PRO A 63 3.455 -0.948 8.332 1.00 0.00 O ATOM 921 CB PRO A 63 0.728 -2.190 7.926 1.00 0.00 C ATOM 922 CG PRO A 63 1.131 -2.288 6.495 1.00 0.00 C ATOM 923 CD PRO A 63 0.882 -0.929 5.901 1.00 0.00 C ATOM 0 HA PRO A 63 0.379 -0.330 9.065 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.271 -2.908 8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.334 -2.400 8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.181 -2.568 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.551 -3.052 5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.606 -0.692 5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.107 -0.864 5.448 1.00 0.00 H new ATOM 931 N TYR A 64 2.468 -0.333 10.258 1.00 0.00 N ATOM 932 CA TYR A 64 3.722 -0.231 10.995 1.00 0.00 C ATOM 933 C TYR A 64 3.562 -0.758 12.417 1.00 0.00 C ATOM 934 O TYR A 64 2.482 -0.680 13.004 1.00 0.00 O ATOM 935 CB TYR A 64 4.201 1.221 11.028 1.00 0.00 C ATOM 936 CG TYR A 64 4.628 1.749 9.677 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.721 1.208 9.011 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.938 2.788 9.066 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.115 1.687 7.777 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.323 3.273 7.831 1.00 0.00 C ATOM 941 CZ TYR A 64 5.413 2.720 7.191 1.00 0.00 C ATOM 942 OH TYR A 64 5.801 3.200 5.961 1.00 0.00 O ATOM 0 H TYR A 64 1.637 -0.114 10.807 1.00 0.00 H new ATOM 0 HA TYR A 64 4.466 -0.841 10.483 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.401 1.850 11.418 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.038 1.303 11.722 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.272 0.399 9.466 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.085 3.224 9.565 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.968 1.255 7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.774 4.080 7.369 1.00 0.00 H new ATOM 0 HH TYR A 64 5.201 3.926 5.689 1.00 0.00 H new ATOM 952 N CYS A 65 4.645 -1.296 12.967 1.00 0.00 N ATOM 953 CA CYS A 65 4.628 -1.837 14.321 1.00 0.00 C ATOM 954 C CYS A 65 4.866 -0.735 15.350 1.00 0.00 C ATOM 955 O CYS A 65 5.216 0.391 14.998 1.00 0.00 O ATOM 956 CB CYS A 65 5.692 -2.927 14.471 1.00 0.00 C ATOM 957 SG CYS A 65 7.386 -2.368 14.104 1.00 0.00 S ATOM 0 H CYS A 65 5.547 -1.369 12.495 1.00 0.00 H new ATOM 0 HA CYS A 65 3.644 -2.271 14.499 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.661 -3.312 15.490 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.443 -3.756 13.809 1.00 0.00 H new ATOM 962 N GLU A 66 4.672 -1.069 16.622 1.00 0.00 N ATOM 963 CA GLU A 66 4.864 -0.108 17.701 1.00 0.00 C ATOM 964 C GLU A 66 6.339 0.250 17.855 1.00 0.00 C ATOM 965 O GLU A 66 6.697 1.135 18.632 1.00 0.00 O ATOM 966 CB GLU A 66 4.324 -0.671 19.018 1.00 0.00 C ATOM 967 CG GLU A 66 2.861 -1.074 18.953 1.00 0.00 C ATOM 968 CD GLU A 66 2.153 -0.918 20.285 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.466 -1.687 21.217 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.286 -0.025 20.395 1.00 0.00 O ATOM 0 H GLU A 66 4.382 -1.997 16.930 1.00 0.00 H new ATOM 0 HA GLU A 66 4.313 0.798 17.448 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.919 -1.539 19.303 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.452 0.075 19.802 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.354 -0.467 18.203 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.788 -2.111 18.626 1.00 0.00 H new ATOM 977 N SER A 67 7.192 -0.446 17.109 1.00 0.00 N ATOM 978 CA SER A 67 8.629 -0.206 17.165 1.00 0.00 C ATOM 979 C SER A 67 9.045 0.842 16.137 1.00 0.00 C ATOM 980 O SER A 67 9.403 1.966 16.490 1.00 0.00 O ATOM 981 CB SER A 67 9.395 -1.508 16.922 1.00 0.00 C ATOM 982 OG SER A 67 9.284 -2.380 18.034 1.00 0.00 O ATOM 0 H SER A 67 6.912 -1.181 16.459 1.00 0.00 H new ATOM 0 HA SER A 67 8.871 0.169 18.159 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.008 -2.000 16.030 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.445 -1.286 16.733 1.00 0.00 H new ATOM 0 HG SER A 67 9.780 -3.205 17.853 1.00 0.00 H new ATOM 988 N ASP A 68 8.995 0.464 14.864 1.00 0.00 N ATOM 989 CA ASP A 68 9.366 1.370 13.783 1.00 0.00 C ATOM 990 C ASP A 68 8.547 2.656 13.847 1.00 0.00 C ATOM 991 O ASP A 68 9.099 3.750 13.964 1.00 0.00 O ATOM 992 CB ASP A 68 9.166 0.690 12.428 1.00 0.00 C ATOM 993 CG ASP A 68 10.190 -0.397 12.169 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.349 -0.236 12.607 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.834 -1.408 11.528 1.00 0.00 O ATOM 0 H ASP A 68 8.701 -0.463 14.556 1.00 0.00 H new ATOM 0 HA ASP A 68 10.419 1.625 13.901 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.165 0.260 12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.226 1.438 11.637 1.00 0.00 H new ATOM 1000 N TYR A 69 7.228 2.516 13.767 1.00 0.00 N ATOM 1001 CA TYR A 69 6.333 3.666 13.812 1.00 0.00 C ATOM 1002 C TYR A 69 6.758 4.644 14.903 1.00 0.00 C ATOM 1003 O TYR A 69 6.989 5.825 14.639 1.00 0.00 O ATOM 1004 CB TYR A 69 4.894 3.209 14.054 1.00 0.00 C ATOM 1005 CG TYR A 69 3.887 4.337 14.019 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.800 5.250 15.062 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.023 4.489 12.941 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.881 6.281 15.034 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.102 5.518 12.904 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.035 6.411 13.953 1.00 0.00 C ATOM 1011 OH TYR A 69 1.119 7.438 13.921 1.00 0.00 O ATOM 0 H TYR A 69 6.755 1.617 13.671 1.00 0.00 H new ATOM 0 HA TYR A 69 6.388 4.176 12.850 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.625 2.469 13.300 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.837 2.712 15.023 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.462 5.152 15.910 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.072 3.791 12.118 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.825 6.981 15.854 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.438 5.623 12.058 1.00 0.00 H new ATOM 0 HH TYR A 69 0.601 7.389 13.091 1.00 0.00 H new ATOM 1021 N HIS A 70 6.861 4.144 16.130 1.00 0.00 N ATOM 1022 CA HIS A 70 7.259 4.973 17.263 1.00 0.00 C ATOM 1023 C HIS A 70 8.634 5.590 17.027 1.00 0.00 C ATOM 1024 O HIS A 70 8.977 6.612 17.621 1.00 0.00 O ATOM 1025 CB HIS A 70 7.272 4.145 18.548 1.00 0.00 C ATOM 1026 CG HIS A 70 5.951 4.114 19.254 1.00 0.00 C ATOM 1027 ND1 HIS A 70 4.867 3.326 19.068 1.00 0.00 N flip ATOM 1028 CD2 HIS A 70 5.630 4.969 20.287 1.00 0.00 C flip ATOM 1029 CE1 HIS A 70 3.920 3.713 19.984 1.00 0.00 C flip ATOM 1030 NE2 HIS A 70 4.405 4.706 20.708 1.00 0.00 N flip ATOM 0 H HIS A 70 6.675 3.169 16.366 1.00 0.00 H new ATOM 0 HA HIS A 70 6.532 5.778 17.366 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.571 3.124 18.310 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.026 4.549 19.223 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.278 5.734 20.689 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.938 3.277 20.095 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.917 5.188 21.463 1.00 0.00 H new ATOM 1039 N ALA A 71 9.418 4.962 16.157 1.00 0.00 N ATOM 1040 CA ALA A 71 10.755 5.450 15.842 1.00 0.00 C ATOM 1041 C ALA A 71 10.735 6.351 14.612 1.00 0.00 C ATOM 1042 O ALA A 71 11.638 7.163 14.413 1.00 0.00 O ATOM 1043 CB ALA A 71 11.706 4.282 15.628 1.00 0.00 C ATOM 0 H ALA A 71 9.150 4.114 15.658 1.00 0.00 H new ATOM 0 HA ALA A 71 11.108 6.041 16.687 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.701 4.661 15.394 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.752 3.679 16.535 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.348 3.668 14.802 1.00 0.00 H new ATOM 1049 N GLN A 72 9.701 6.201 13.791 1.00 0.00 N ATOM 1050 CA GLN A 72 9.566 7.001 12.580 1.00 0.00 C ATOM 1051 C GLN A 72 8.827 8.304 12.868 1.00 0.00 C ATOM 1052 O GLN A 72 9.363 9.393 12.660 1.00 0.00 O ATOM 1053 CB GLN A 72 8.826 6.210 11.500 1.00 0.00 C ATOM 1054 CG GLN A 72 9.750 5.455 10.558 1.00 0.00 C ATOM 1055 CD GLN A 72 8.999 4.741 9.451 1.00 0.00 C ATOM 1056 OE1 GLN A 72 8.401 3.603 9.781 1.00 0.00 O flip ATOM 1057 NE2 GLN A 72 8.958 5.208 8.313 1.00 0.00 N flip ATOM 0 H GLN A 72 8.945 5.533 13.942 1.00 0.00 H new ATOM 0 HA GLN A 72 10.567 7.243 12.222 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.151 5.501 11.979 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.209 6.895 10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.462 6.153 10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.328 4.727 11.128 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.433 6.086 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.449 4.717 7.578 1.00 0.00 H new ATOM 1066 N PHE A 73 7.593 8.185 13.347 1.00 0.00 N ATOM 1067 CA PHE A 73 6.780 9.354 13.662 1.00 0.00 C ATOM 1068 C PHE A 73 6.470 9.414 15.155 1.00 0.00 C ATOM 1069 O PHE A 73 5.514 10.064 15.576 1.00 0.00 O ATOM 1070 CB PHE A 73 5.477 9.326 12.860 1.00 0.00 C ATOM 1071 CG PHE A 73 5.672 8.974 11.413 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.912 7.664 11.031 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.614 9.953 10.434 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.092 7.337 9.700 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.793 9.632 9.101 1.00 0.00 C ATOM 1076 CZ PHE A 73 6.031 8.322 8.734 1.00 0.00 C ATOM 0 H PHE A 73 7.134 7.292 13.525 1.00 0.00 H new ATOM 0 HA PHE A 73 7.347 10.244 13.390 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.796 8.605 13.313 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.997 10.303 12.927 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.959 6.889 11.782 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.427 10.979 10.715 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.280 6.312 9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.747 10.405 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.169 8.068 7.693 1.00 0.00 H new ATOM 1086 N GLY A 74 7.286 8.730 15.951 1.00 0.00 N ATOM 1087 CA GLY A 74 7.083 8.717 17.388 1.00 0.00 C ATOM 1088 C GLY A 74 8.244 9.331 18.143 1.00 0.00 C ATOM 1089 O GLY A 74 8.047 10.035 19.133 1.00 0.00 O ATOM 0 H GLY A 74 8.084 8.184 15.626 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.169 9.261 17.628 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.939 7.690 17.722 1.00 0.00 H new ATOM 1093 N SER A 75 9.460 9.063 17.676 1.00 0.00 N ATOM 1094 CA SER A 75 10.658 9.591 18.318 1.00 0.00 C ATOM 1095 C SER A 75 11.419 10.515 17.372 1.00 0.00 C ATOM 1096 O SER A 75 11.734 11.653 17.718 1.00 0.00 O ATOM 1097 CB SER A 75 11.567 8.445 18.769 1.00 0.00 C ATOM 1098 OG SER A 75 12.608 8.919 19.605 1.00 0.00 O ATOM 0 H SER A 75 9.641 8.484 16.856 1.00 0.00 H new ATOM 0 HA SER A 75 10.349 10.167 19.191 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.979 7.699 19.303 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.994 7.950 17.897 1.00 0.00 H new ATOM 0 HG SER A 75 13.174 8.168 19.881 1.00 0.00 H new ATOM 1104 N GLY A 76 11.711 10.017 16.174 1.00 0.00 N ATOM 1105 CA GLY A 76 12.432 10.811 15.197 1.00 0.00 C ATOM 1106 C GLY A 76 11.989 12.260 15.186 1.00 0.00 C ATOM 1107 O GLY A 76 10.870 12.592 15.577 1.00 0.00 O ATOM 0 H GLY A 76 11.461 9.078 15.863 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.500 10.762 15.411 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.286 10.382 14.206 1.00 0.00 H new ATOM 1111 N PRO A 77 12.881 13.152 14.730 1.00 0.00 N ATOM 1112 CA PRO A 77 12.598 14.589 14.660 1.00 0.00 C ATOM 1113 C PRO A 77 11.568 14.926 13.588 1.00 0.00 C ATOM 1114 O PRO A 77 11.917 15.180 12.436 1.00 0.00 O ATOM 1115 CB PRO A 77 13.956 15.201 14.307 1.00 0.00 C ATOM 1116 CG PRO A 77 14.694 14.109 13.611 1.00 0.00 C ATOM 1117 CD PRO A 77 14.234 12.827 14.248 1.00 0.00 C ATOM 0 HA PRO A 77 12.173 14.966 15.590 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.842 16.074 13.664 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.486 15.530 15.201 1.00 0.00 H new ATOM 0 HG2 PRO A 77 14.480 14.113 12.542 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.771 14.235 13.720 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.219 12.005 13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.890 12.526 15.065 1.00 0.00 H new ATOM 1125 N SER A 78 10.296 14.925 13.975 1.00 0.00 N ATOM 1126 CA SER A 78 9.214 15.228 13.046 1.00 0.00 C ATOM 1127 C SER A 78 8.496 16.513 13.447 1.00 0.00 C ATOM 1128 O SER A 78 7.514 16.483 14.188 1.00 0.00 O ATOM 1129 CB SER A 78 8.217 14.068 12.996 1.00 0.00 C ATOM 1130 OG SER A 78 8.653 13.060 12.100 1.00 0.00 O ATOM 0 H SER A 78 9.990 14.718 14.926 1.00 0.00 H new ATOM 0 HA SER A 78 9.648 15.369 12.056 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.096 13.645 13.993 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.240 14.437 12.685 1.00 0.00 H new ATOM 0 HG SER A 78 8.000 12.329 12.087 1.00 0.00 H new ATOM 1136 N SER A 79 8.995 17.641 12.952 1.00 0.00 N ATOM 1137 CA SER A 79 8.405 18.938 13.261 1.00 0.00 C ATOM 1138 C SER A 79 7.415 19.357 12.178 1.00 0.00 C ATOM 1139 O SER A 79 7.573 19.009 11.008 1.00 0.00 O ATOM 1140 CB SER A 79 9.498 19.998 13.405 1.00 0.00 C ATOM 1141 OG SER A 79 10.477 19.596 14.348 1.00 0.00 O ATOM 0 H SER A 79 9.806 17.683 12.335 1.00 0.00 H new ATOM 0 HA SER A 79 7.868 18.849 14.205 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.970 20.172 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.054 20.943 13.718 1.00 0.00 H new ATOM 0 HG SER A 79 11.165 20.290 14.421 1.00 0.00 H new ATOM 1147 N GLY A 80 6.392 20.106 12.577 1.00 0.00 N ATOM 1148 CA GLY A 80 5.391 20.560 11.630 1.00 0.00 C ATOM 1149 C GLY A 80 4.642 19.412 10.983 1.00 0.00 C ATOM 1150 O GLY A 80 4.464 18.377 11.623 1.00 0.00 O ATOM 0 H GLY A 80 6.239 20.407 13.540 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.681 21.211 12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.872 21.158 10.856 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.893 -12.477 0.715 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.308 -2.336 12.160 1.00 0.00 ZN