USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 174:sc= -1.34 (180deg=-1.54) USER MOD Single : A 1 MET N :NH3+ -137:sc= -0.0481 (180deg=-0.915) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 13 THR OG1 : rot 75:sc= 0.828 USER MOD Single : A 16 LYS NZ :NH3+ -97:sc= 2.23 (180deg=-0.621) USER MOD Single : A 18 THR OG1 : rot -93:sc= -0.0171 USER MOD Single : A 22 SER OG : rot -71:sc= 0.52 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.031) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0904 K(o=-0.09,f=-5.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0.845 (180deg=0.845) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.595 K(o=-0.6,f=-1.8!) USER MOD Single : A 67 SER OG : rot -71:sc= 0.274 USER MOD Single : A 69 SER OG : rot 58:sc= 0.432 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.756 -33.266 2.788 1.00 13.89 N ATOM 2 CA MET A 1 23.857 -34.181 2.053 1.00 13.81 C ATOM 3 C MET A 1 23.369 -33.565 0.740 1.00 13.58 C ATOM 4 O MET A 1 23.624 -34.149 -0.304 1.00 14.18 O ATOM 5 CB MET A 1 22.714 -34.712 2.927 1.00 14.02 C ATOM 6 CG MET A 1 23.129 -35.956 3.712 1.00 14.58 C ATOM 7 SD MET A 1 22.773 -37.534 2.888 1.00 14.89 S ATOM 8 CE MET A 1 23.781 -37.432 1.386 1.00 15.53 C ATOM 0 H1 MET A 1 25.566 -33.801 3.162 1.00 13.89 H new ATOM 0 H2 MET A 1 25.099 -32.525 2.144 1.00 13.89 H new ATOM 0 H3 MET A 1 24.237 -32.828 3.576 1.00 13.89 H new ATOM 0 HA MET A 1 24.448 -35.056 1.782 1.00 13.81 H new ATOM 0 HB2 MET A 1 22.396 -33.934 3.621 1.00 14.02 H new ATOM 0 HB3 MET A 1 21.856 -34.949 2.298 1.00 14.02 H new ATOM 0 HG2 MET A 1 24.199 -35.901 3.913 1.00 14.58 H new ATOM 0 HG3 MET A 1 22.623 -35.944 4.677 1.00 14.58 H new ATOM 0 HE1 MET A 1 23.733 -38.380 0.851 1.00 15.53 H new ATOM 0 HE2 MET A 1 23.402 -36.635 0.747 1.00 15.53 H new ATOM 0 HE3 MET A 1 24.816 -37.220 1.656 1.00 15.53 H new ATOM 20 N LYS A 2 22.661 -32.433 0.693 1.00 12.97 N ATOM 21 CA LYS A 2 21.998 -31.684 1.753 1.00 12.96 C ATOM 22 C LYS A 2 21.994 -30.204 1.387 1.00 12.41 C ATOM 23 O LYS A 2 22.681 -29.410 2.015 1.00 12.60 O ATOM 24 CB LYS A 2 20.570 -32.224 2.019 1.00 13.37 C ATOM 25 CG LYS A 2 19.500 -32.302 0.905 1.00 13.82 C ATOM 26 CD LYS A 2 19.863 -32.801 -0.510 1.00 14.33 C ATOM 27 CE LYS A 2 20.243 -34.282 -0.597 1.00 15.07 C ATOM 28 NZ LYS A 2 20.556 -34.661 -1.994 1.00 15.58 N ATOM 0 H LYS A 2 22.525 -31.966 -0.204 1.00 12.97 H new ATOM 0 HA LYS A 2 22.548 -31.811 2.686 1.00 12.96 H new ATOM 0 HB2 LYS A 2 20.685 -33.233 2.415 1.00 13.37 H new ATOM 0 HB3 LYS A 2 20.148 -31.614 2.818 1.00 13.37 H new ATOM 0 HG2 LYS A 2 18.700 -32.943 1.275 1.00 13.82 H new ATOM 0 HG3 LYS A 2 19.081 -31.302 0.794 1.00 13.82 H new ATOM 0 HD2 LYS A 2 19.016 -32.619 -1.171 1.00 14.33 H new ATOM 0 HD3 LYS A 2 20.695 -32.205 -0.887 1.00 14.33 H new ATOM 0 HE2 LYS A 2 21.105 -34.479 0.040 1.00 15.07 H new ATOM 0 HE3 LYS A 2 19.423 -34.895 -0.223 1.00 15.07 H new ATOM 0 HZ1 LYS A 2 20.811 -35.669 -2.032 1.00 15.58 H new ATOM 0 HZ2 LYS A 2 19.724 -34.492 -2.594 1.00 15.58 H new ATOM 0 HZ3 LYS A 2 21.353 -34.089 -2.339 1.00 15.58 H new ATOM 42 N GLN A 3 21.230 -29.875 0.358 1.00 11.98 N ATOM 43 CA GLN A 3 20.822 -28.557 -0.058 1.00 11.46 C ATOM 44 C GLN A 3 19.437 -28.791 -0.672 1.00 11.13 C ATOM 45 O GLN A 3 19.221 -29.843 -1.274 1.00 11.70 O ATOM 46 CB GLN A 3 21.810 -28.015 -1.115 1.00 11.83 C ATOM 47 CG GLN A 3 21.956 -26.490 -1.031 1.00 11.86 C ATOM 48 CD GLN A 3 22.505 -25.841 -2.307 1.00 12.47 C ATOM 49 OE1 GLN A 3 23.526 -25.168 -2.256 1.00 13.21 O ATOM 50 NE2 GLN A 3 21.866 -25.989 -3.465 1.00 12.58 N ATOM 0 H GLN A 3 20.849 -30.594 -0.258 1.00 11.98 H new ATOM 0 HA GLN A 3 20.803 -27.828 0.752 1.00 11.46 H new ATOM 0 HB2 GLN A 3 22.785 -28.482 -0.974 1.00 11.83 H new ATOM 0 HB3 GLN A 3 21.465 -28.293 -2.111 1.00 11.83 H new ATOM 0 HG2 GLN A 3 20.983 -26.055 -0.805 1.00 11.86 H new ATOM 0 HG3 GLN A 3 22.616 -26.244 -0.199 1.00 11.86 H new ATOM 0 HE21 GLN A 3 21.015 -26.549 -3.510 1.00 12.58 H new ATOM 0 HE22 GLN A 3 22.227 -25.542 -4.308 1.00 12.58 H new ATOM 59 N ASP A 4 18.573 -27.784 -0.675 1.00 10.52 N ATOM 60 CA ASP A 4 18.621 -27.027 -1.910 1.00 10.22 C ATOM 61 C ASP A 4 18.697 -25.546 -1.578 1.00 9.69 C ATOM 62 O ASP A 4 18.347 -25.139 -0.471 1.00 9.97 O ATOM 63 CB ASP A 4 17.540 -27.416 -2.928 1.00 10.37 C ATOM 64 CG ASP A 4 18.120 -27.339 -4.347 1.00 10.79 C ATOM 65 OD1 ASP A 4 17.483 -27.893 -5.266 1.00 11.39 O ATOM 66 OD2 ASP A 4 19.238 -26.779 -4.482 1.00 10.87 O ATOM 0 H ASP A 4 17.917 -27.501 0.053 1.00 10.52 H new ATOM 0 HA ASP A 4 19.531 -27.290 -2.449 1.00 10.22 H new ATOM 0 HB2 ASP A 4 17.181 -28.425 -2.725 1.00 10.37 H new ATOM 0 HB3 ASP A 4 16.683 -26.748 -2.837 1.00 10.37 H new ATOM 71 N GLY A 5 19.318 -24.778 -2.465 1.00 9.28 N ATOM 72 CA GLY A 5 19.630 -23.383 -2.264 1.00 8.95 C ATOM 73 C GLY A 5 18.561 -22.697 -3.070 1.00 8.31 C ATOM 74 O GLY A 5 18.564 -22.769 -4.295 1.00 8.67 O ATOM 0 H GLY A 5 19.625 -25.129 -3.372 1.00 9.28 H new ATOM 0 HA2 GLY A 5 19.587 -23.104 -1.211 1.00 8.95 H new ATOM 0 HA3 GLY A 5 20.630 -23.134 -2.619 1.00 8.95 H new ATOM 78 N GLU A 6 17.550 -22.206 -2.371 1.00 7.63 N ATOM 79 CA GLU A 6 16.196 -22.364 -2.819 1.00 6.96 C ATOM 80 C GLU A 6 15.509 -21.048 -2.538 1.00 6.56 C ATOM 81 O GLU A 6 15.813 -20.357 -1.566 1.00 6.92 O ATOM 82 CB GLU A 6 15.582 -23.547 -2.058 1.00 6.91 C ATOM 83 CG GLU A 6 14.094 -23.757 -2.351 1.00 7.31 C ATOM 84 CD GLU A 6 13.560 -24.967 -1.581 1.00 7.65 C ATOM 85 OE1 GLU A 6 13.716 -26.095 -2.098 1.00 8.05 O ATOM 86 OE2 GLU A 6 13.005 -24.751 -0.480 1.00 7.96 O ATOM 0 H GLU A 6 17.652 -21.697 -1.493 1.00 7.63 H new ATOM 0 HA GLU A 6 16.101 -22.589 -3.881 1.00 6.96 H new ATOM 0 HB2 GLU A 6 16.126 -24.456 -2.315 1.00 6.91 H new ATOM 0 HB3 GLU A 6 15.714 -23.388 -0.988 1.00 6.91 H new ATOM 0 HG2 GLU A 6 13.533 -22.865 -2.072 1.00 7.31 H new ATOM 0 HG3 GLU A 6 13.946 -23.905 -3.421 1.00 7.31 H new ATOM 93 N GLU A 7 14.608 -20.698 -3.436 1.00 6.08 N ATOM 94 CA GLU A 7 13.960 -19.414 -3.492 1.00 5.78 C ATOM 95 C GLU A 7 12.513 -19.688 -3.871 1.00 5.23 C ATOM 96 O GLU A 7 12.185 -20.785 -4.322 1.00 5.28 O ATOM 97 CB GLU A 7 14.636 -18.564 -4.581 1.00 6.06 C ATOM 98 CG GLU A 7 15.825 -17.762 -4.047 1.00 6.73 C ATOM 99 CD GLU A 7 16.566 -17.063 -5.190 1.00 7.55 C ATOM 100 OE1 GLU A 7 17.784 -17.313 -5.330 1.00 8.30 O ATOM 101 OE2 GLU A 7 15.901 -16.288 -5.914 1.00 7.84 O ATOM 0 H GLU A 7 14.299 -21.331 -4.174 1.00 6.08 H new ATOM 0 HA GLU A 7 14.024 -18.878 -2.545 1.00 5.78 H new ATOM 0 HB2 GLU A 7 14.974 -19.215 -5.387 1.00 6.06 H new ATOM 0 HB3 GLU A 7 13.904 -17.880 -5.010 1.00 6.06 H new ATOM 0 HG2 GLU A 7 15.476 -17.022 -3.327 1.00 6.73 H new ATOM 0 HG3 GLU A 7 16.508 -18.425 -3.516 1.00 6.73 H new ATOM 108 N GLY A 8 11.663 -18.667 -3.786 1.00 5.06 N ATOM 109 CA GLY A 8 10.514 -18.647 -4.667 1.00 4.76 C ATOM 110 C GLY A 8 11.049 -18.408 -6.073 1.00 4.16 C ATOM 111 O GLY A 8 11.021 -19.299 -6.914 1.00 4.78 O ATOM 0 H GLY A 8 11.746 -17.879 -3.144 1.00 5.06 H new ATOM 0 HA2 GLY A 8 9.969 -19.590 -4.615 1.00 4.76 H new ATOM 0 HA3 GLY A 8 9.818 -17.860 -4.378 1.00 4.76 H new ATOM 115 N THR A 9 11.563 -17.194 -6.274 1.00 3.55 N ATOM 116 CA THR A 9 12.008 -16.534 -7.496 1.00 3.59 C ATOM 117 C THR A 9 11.417 -15.130 -7.356 1.00 3.23 C ATOM 118 O THR A 9 11.514 -14.573 -6.264 1.00 3.33 O ATOM 119 CB THR A 9 11.684 -17.320 -8.786 1.00 4.48 C ATOM 120 OG1 THR A 9 12.198 -16.622 -9.901 1.00 5.06 O ATOM 121 CG2 THR A 9 10.192 -17.575 -9.026 1.00 4.94 C ATOM 0 H THR A 9 11.692 -16.572 -5.476 1.00 3.55 H new ATOM 0 HA THR A 9 13.091 -16.482 -7.609 1.00 3.59 H new ATOM 0 HB THR A 9 12.151 -18.296 -8.656 1.00 4.48 H new ATOM 0 HG1 THR A 9 11.995 -17.120 -10.720 1.00 5.06 H new ATOM 0 HG21 THR A 9 10.063 -18.132 -9.954 1.00 4.94 H new ATOM 0 HG22 THR A 9 9.783 -18.152 -8.196 1.00 4.94 H new ATOM 0 HG23 THR A 9 9.667 -16.622 -9.099 1.00 4.94 H new ATOM 129 N GLU A 10 10.778 -14.603 -8.400 1.00 3.43 N ATOM 130 CA GLU A 10 9.644 -13.677 -8.373 1.00 3.32 C ATOM 131 C GLU A 10 9.302 -13.148 -6.966 1.00 2.48 C ATOM 132 O GLU A 10 8.505 -13.741 -6.242 1.00 2.93 O ATOM 133 CB GLU A 10 8.432 -14.399 -9.010 1.00 4.17 C ATOM 134 CG GLU A 10 7.702 -13.540 -10.042 1.00 4.82 C ATOM 135 CD GLU A 10 8.460 -13.532 -11.373 1.00 5.77 C ATOM 136 OE1 GLU A 10 7.831 -13.857 -12.406 1.00 6.62 O ATOM 137 OE2 GLU A 10 9.676 -13.237 -11.337 1.00 6.11 O ATOM 0 H GLU A 10 11.058 -14.827 -9.355 1.00 3.43 H new ATOM 0 HA GLU A 10 9.915 -12.787 -8.941 1.00 3.32 H new ATOM 0 HB2 GLU A 10 8.773 -15.319 -9.486 1.00 4.17 H new ATOM 0 HB3 GLU A 10 7.733 -14.687 -8.225 1.00 4.17 H new ATOM 0 HG2 GLU A 10 6.693 -13.924 -10.194 1.00 4.82 H new ATOM 0 HG3 GLU A 10 7.602 -12.521 -9.669 1.00 4.82 H new ATOM 144 N GLU A 11 9.901 -12.026 -6.555 1.00 2.09 N ATOM 145 CA GLU A 11 9.563 -11.419 -5.275 1.00 1.55 C ATOM 146 C GLU A 11 9.814 -9.911 -5.356 1.00 1.63 C ATOM 147 O GLU A 11 10.643 -9.362 -4.631 1.00 2.39 O ATOM 148 CB GLU A 11 10.356 -12.073 -4.125 1.00 1.83 C ATOM 149 CG GLU A 11 9.660 -11.793 -2.783 1.00 2.61 C ATOM 150 CD GLU A 11 10.645 -11.594 -1.627 1.00 3.22 C ATOM 151 OE1 GLU A 11 11.248 -12.590 -1.179 1.00 3.83 O ATOM 152 OE2 GLU A 11 10.772 -10.419 -1.203 1.00 3.93 O ATOM 0 H GLU A 11 10.614 -11.528 -7.087 1.00 2.09 H new ATOM 0 HA GLU A 11 8.508 -11.586 -5.059 1.00 1.55 H new ATOM 0 HB2 GLU A 11 10.430 -13.148 -4.289 1.00 1.83 H new ATOM 0 HB3 GLU A 11 11.373 -11.682 -4.105 1.00 1.83 H new ATOM 0 HG2 GLU A 11 9.039 -10.903 -2.881 1.00 2.61 H new ATOM 0 HG3 GLU A 11 8.993 -12.622 -2.546 1.00 2.61 H new ATOM 159 N ASP A 12 9.081 -9.208 -6.219 1.00 1.26 N ATOM 160 CA ASP A 12 9.255 -7.773 -6.408 1.00 1.36 C ATOM 161 C ASP A 12 7.882 -7.119 -6.405 1.00 1.24 C ATOM 162 O ASP A 12 7.055 -7.433 -7.253 1.00 1.61 O ATOM 163 CB ASP A 12 10.004 -7.472 -7.710 1.00 1.76 C ATOM 164 CG ASP A 12 10.236 -5.966 -7.853 1.00 2.22 C ATOM 165 OD1 ASP A 12 9.942 -5.243 -6.870 1.00 2.78 O ATOM 166 OD2 ASP A 12 10.715 -5.552 -8.930 1.00 2.97 O ATOM 0 H ASP A 12 8.353 -9.618 -6.804 1.00 1.26 H new ATOM 0 HA ASP A 12 9.858 -7.368 -5.595 1.00 1.36 H new ATOM 0 HB2 ASP A 12 10.960 -7.996 -7.717 1.00 1.76 H new ATOM 0 HB3 ASP A 12 9.431 -7.841 -8.561 1.00 1.76 H new ATOM 171 N THR A 13 7.638 -6.249 -5.420 1.00 1.13 N ATOM 172 CA THR A 13 6.413 -5.470 -5.247 1.00 1.06 C ATOM 173 C THR A 13 5.138 -6.290 -5.522 1.00 0.98 C ATOM 174 O THR A 13 4.147 -5.768 -6.023 1.00 1.11 O ATOM 175 CB THR A 13 6.558 -4.193 -6.094 1.00 1.24 C ATOM 176 OG1 THR A 13 7.830 -3.630 -5.831 1.00 1.79 O ATOM 177 CG2 THR A 13 5.546 -3.097 -5.742 1.00 1.91 C ATOM 0 H THR A 13 8.323 -6.062 -4.688 1.00 1.13 H new ATOM 0 HA THR A 13 6.284 -5.180 -4.204 1.00 1.06 H new ATOM 0 HB THR A 13 6.404 -4.497 -7.129 1.00 1.24 H new ATOM 0 HG1 THR A 13 8.521 -4.159 -6.281 1.00 1.79 H new ATOM 0 HG21 THR A 13 5.712 -2.230 -6.381 1.00 1.91 H new ATOM 0 HG22 THR A 13 4.534 -3.473 -5.896 1.00 1.91 H new ATOM 0 HG23 THR A 13 5.671 -2.808 -4.699 1.00 1.91 H new ATOM 185 N GLU A 14 5.151 -7.578 -5.163 1.00 0.86 N ATOM 186 CA GLU A 14 4.097 -8.510 -5.537 1.00 0.83 C ATOM 187 C GLU A 14 3.029 -8.539 -4.444 1.00 0.75 C ATOM 188 O GLU A 14 1.879 -8.187 -4.686 1.00 0.96 O ATOM 189 CB GLU A 14 4.717 -9.896 -5.767 1.00 0.87 C ATOM 190 CG GLU A 14 3.750 -10.849 -6.486 1.00 1.14 C ATOM 191 CD GLU A 14 4.068 -10.969 -7.979 1.00 1.62 C ATOM 192 OE1 GLU A 14 3.198 -10.577 -8.789 1.00 2.46 O ATOM 193 OE2 GLU A 14 5.178 -11.456 -8.285 1.00 2.71 O ATOM 0 H GLU A 14 5.895 -7.998 -4.605 1.00 0.86 H new ATOM 0 HA GLU A 14 3.615 -8.194 -6.462 1.00 0.83 H new ATOM 0 HB2 GLU A 14 5.628 -9.792 -6.356 1.00 0.87 H new ATOM 0 HB3 GLU A 14 5.005 -10.328 -4.808 1.00 0.87 H new ATOM 0 HG2 GLU A 14 3.802 -11.835 -6.024 1.00 1.14 H new ATOM 0 HG3 GLU A 14 2.728 -10.491 -6.360 1.00 1.14 H new ATOM 200 N GLU A 15 3.403 -8.942 -3.226 1.00 0.63 N ATOM 201 CA GLU A 15 2.471 -9.055 -2.110 1.00 0.60 C ATOM 202 C GLU A 15 3.220 -8.667 -0.826 1.00 0.51 C ATOM 203 O GLU A 15 3.376 -9.460 0.101 1.00 0.57 O ATOM 204 CB GLU A 15 1.863 -10.478 -2.092 1.00 0.75 C ATOM 205 CG GLU A 15 0.353 -10.427 -1.819 1.00 1.70 C ATOM 206 CD GLU A 15 -0.259 -11.821 -1.637 1.00 2.41 C ATOM 207 OE1 GLU A 15 -0.771 -12.366 -2.638 1.00 2.70 O ATOM 208 OE2 GLU A 15 -0.225 -12.324 -0.489 1.00 3.60 O ATOM 0 H GLU A 15 4.362 -9.198 -2.990 1.00 0.63 H new ATOM 0 HA GLU A 15 1.624 -8.375 -2.205 1.00 0.60 H new ATOM 0 HB2 GLU A 15 2.047 -10.968 -3.048 1.00 0.75 H new ATOM 0 HB3 GLU A 15 2.355 -11.078 -1.326 1.00 0.75 H new ATOM 0 HG2 GLU A 15 0.169 -9.833 -0.924 1.00 1.70 H new ATOM 0 HG3 GLU A 15 -0.145 -9.920 -2.645 1.00 1.70 H new ATOM 215 N LYS A 16 3.747 -7.436 -0.779 1.00 0.51 N ATOM 216 CA LYS A 16 4.649 -7.005 0.290 1.00 0.47 C ATOM 217 C LYS A 16 4.175 -5.669 0.863 1.00 0.44 C ATOM 218 O LYS A 16 4.158 -4.662 0.160 1.00 0.50 O ATOM 219 CB LYS A 16 6.097 -6.940 -0.233 1.00 0.57 C ATOM 220 CG LYS A 16 6.512 -8.303 -0.812 1.00 0.62 C ATOM 221 CD LYS A 16 8.027 -8.520 -0.929 1.00 0.80 C ATOM 222 CE LYS A 16 8.630 -7.838 -2.157 1.00 0.91 C ATOM 223 NZ LYS A 16 10.047 -8.218 -2.330 1.00 1.16 N ATOM 0 H LYS A 16 3.560 -6.717 -1.478 1.00 0.51 H new ATOM 0 HA LYS A 16 4.633 -7.731 1.102 1.00 0.47 H new ATOM 0 HB2 LYS A 16 6.181 -6.170 -1.000 1.00 0.57 H new ATOM 0 HB3 LYS A 16 6.772 -6.659 0.576 1.00 0.57 H new ATOM 0 HG2 LYS A 16 6.094 -9.090 -0.185 1.00 0.62 H new ATOM 0 HG3 LYS A 16 6.066 -8.413 -1.801 1.00 0.62 H new ATOM 0 HD2 LYS A 16 8.514 -8.139 -0.032 1.00 0.80 H new ATOM 0 HD3 LYS A 16 8.234 -9.589 -0.975 1.00 0.80 H new ATOM 0 HE2 LYS A 16 8.064 -8.115 -3.046 1.00 0.91 H new ATOM 0 HE3 LYS A 16 8.550 -6.756 -2.053 1.00 0.91 H new ATOM 0 HZ1 LYS A 16 10.656 -7.484 -1.916 1.00 1.16 H new ATOM 0 HZ2 LYS A 16 10.224 -9.125 -1.852 1.00 1.16 H new ATOM 0 HZ3 LYS A 16 10.260 -8.314 -3.344 1.00 1.16 H new ATOM 237 N CYS A 17 3.773 -5.663 2.136 1.00 0.40 N ATOM 238 CA CYS A 17 3.363 -4.474 2.868 1.00 0.39 C ATOM 239 C CYS A 17 4.638 -3.692 3.197 1.00 0.43 C ATOM 240 O CYS A 17 5.353 -4.017 4.145 1.00 0.54 O ATOM 241 CB CYS A 17 2.645 -4.945 4.148 1.00 0.41 C ATOM 242 SG CYS A 17 1.980 -3.595 5.182 1.00 0.52 S ATOM 0 H CYS A 17 3.724 -6.513 2.698 1.00 0.40 H new ATOM 0 HA CYS A 17 2.686 -3.835 2.302 1.00 0.39 H new ATOM 0 HB2 CYS A 17 1.827 -5.608 3.868 1.00 0.41 H new ATOM 0 HB3 CYS A 17 3.342 -5.534 4.745 1.00 0.41 H new ATOM 247 N THR A 18 4.918 -2.612 2.464 1.00 0.43 N ATOM 248 CA THR A 18 6.087 -1.780 2.742 1.00 0.52 C ATOM 249 C THR A 18 5.748 -0.715 3.790 1.00 0.49 C ATOM 250 O THR A 18 6.443 0.293 3.930 1.00 0.62 O ATOM 251 CB THR A 18 6.577 -1.145 1.440 1.00 0.68 C ATOM 252 OG1 THR A 18 5.510 -0.456 0.835 1.00 0.79 O ATOM 253 CG2 THR A 18 7.084 -2.207 0.462 1.00 0.78 C ATOM 0 H THR A 18 4.352 -2.295 1.676 1.00 0.43 H new ATOM 0 HA THR A 18 6.887 -2.398 3.150 1.00 0.52 H new ATOM 0 HB THR A 18 7.396 -0.466 1.679 1.00 0.68 H new ATOM 0 HG1 THR A 18 5.058 -1.048 0.198 1.00 0.79 H new ATOM 0 HG21 THR A 18 7.425 -1.725 -0.454 1.00 0.78 H new ATOM 0 HG22 THR A 18 7.912 -2.753 0.915 1.00 0.78 H new ATOM 0 HG23 THR A 18 6.277 -2.901 0.227 1.00 0.78 H new ATOM 261 N ILE A 19 4.668 -0.939 4.541 1.00 0.49 N ATOM 262 CA ILE A 19 4.215 -0.066 5.598 1.00 0.51 C ATOM 263 C ILE A 19 4.611 -0.708 6.921 1.00 0.55 C ATOM 264 O ILE A 19 5.399 -0.143 7.671 1.00 0.64 O ATOM 265 CB ILE A 19 2.707 0.150 5.463 1.00 0.49 C ATOM 266 CG1 ILE A 19 2.398 0.554 4.008 1.00 0.48 C ATOM 267 CG2 ILE A 19 2.306 1.181 6.522 1.00 0.58 C ATOM 268 CD1 ILE A 19 1.151 1.388 3.848 1.00 0.57 C ATOM 0 H ILE A 19 4.075 -1.760 4.418 1.00 0.49 H new ATOM 0 HA ILE A 19 4.675 0.921 5.544 1.00 0.51 H new ATOM 0 HB ILE A 19 2.116 -0.747 5.648 1.00 0.49 H new ATOM 0 HG12 ILE A 19 3.247 1.110 3.609 1.00 0.48 H new ATOM 0 HG13 ILE A 19 2.297 -0.349 3.406 1.00 0.48 H new ATOM 0 HG21 ILE A 19 1.234 1.366 6.462 1.00 0.58 H new ATOM 0 HG22 ILE A 19 2.553 0.800 7.513 1.00 0.58 H new ATOM 0 HG23 ILE A 19 2.845 2.112 6.346 1.00 0.58 H new ATOM 0 HD11 ILE A 19 1.007 1.629 2.795 1.00 0.57 H new ATOM 0 HD12 ILE A 19 0.290 0.829 4.214 1.00 0.57 H new ATOM 0 HD13 ILE A 19 1.254 2.310 4.420 1.00 0.57 H new ATOM 280 N CYS A 20 4.103 -1.918 7.173 1.00 0.56 N ATOM 281 CA CYS A 20 4.467 -2.724 8.327 1.00 0.66 C ATOM 282 C CYS A 20 5.706 -3.578 8.024 1.00 0.68 C ATOM 283 O CYS A 20 5.993 -4.514 8.766 1.00 0.84 O ATOM 284 CB CYS A 20 3.276 -3.629 8.678 1.00 0.79 C ATOM 285 SG CYS A 20 2.783 -4.669 7.269 1.00 1.29 S ATOM 0 H CYS A 20 3.416 -2.367 6.567 1.00 0.56 H new ATOM 0 HA CYS A 20 4.708 -2.073 9.167 1.00 0.66 H new ATOM 0 HB2 CYS A 20 3.538 -4.264 9.525 1.00 0.79 H new ATOM 0 HB3 CYS A 20 2.431 -3.014 8.990 1.00 0.79 H new ATOM 290 N LEU A 21 6.438 -3.265 6.946 1.00 0.65 N ATOM 291 CA LEU A 21 7.705 -3.886 6.576 1.00 0.76 C ATOM 292 C LEU A 21 7.639 -5.411 6.665 1.00 0.83 C ATOM 293 O LEU A 21 8.531 -6.044 7.225 1.00 1.05 O ATOM 294 CB LEU A 21 8.829 -3.306 7.453 1.00 0.91 C ATOM 295 CG LEU A 21 9.029 -1.793 7.277 1.00 1.10 C ATOM 296 CD1 LEU A 21 9.934 -1.266 8.392 1.00 1.41 C ATOM 297 CD2 LEU A 21 9.668 -1.476 5.921 1.00 1.48 C ATOM 0 H LEU A 21 6.147 -2.544 6.286 1.00 0.65 H new ATOM 0 HA LEU A 21 7.920 -3.655 5.533 1.00 0.76 H new ATOM 0 HB2 LEU A 21 8.606 -3.515 8.499 1.00 0.91 H new ATOM 0 HB3 LEU A 21 9.762 -3.817 7.217 1.00 0.91 H new ATOM 0 HG LEU A 21 8.052 -1.311 7.323 1.00 1.10 H new ATOM 0 HD11 LEU A 21 10.077 -0.192 8.268 1.00 1.41 H new ATOM 0 HD12 LEU A 21 9.471 -1.461 9.359 1.00 1.41 H new ATOM 0 HD13 LEU A 21 10.900 -1.768 8.344 1.00 1.41 H new ATOM 0 HD21 LEU A 21 9.798 -0.398 5.823 1.00 1.48 H new ATOM 0 HD22 LEU A 21 10.639 -1.966 5.853 1.00 1.48 H new ATOM 0 HD23 LEU A 21 9.022 -1.838 5.121 1.00 1.48 H new ATOM 309 N SER A 22 6.599 -6.020 6.095 1.00 0.71 N ATOM 310 CA SER A 22 6.485 -7.469 6.094 1.00 0.82 C ATOM 311 C SER A 22 5.771 -7.953 4.838 1.00 0.64 C ATOM 312 O SER A 22 4.989 -7.237 4.218 1.00 0.54 O ATOM 313 CB SER A 22 5.800 -7.959 7.374 1.00 1.04 C ATOM 314 OG SER A 22 4.792 -7.073 7.812 1.00 1.15 O ATOM 0 H SER A 22 5.832 -5.532 5.633 1.00 0.71 H new ATOM 0 HA SER A 22 7.487 -7.899 6.080 1.00 0.82 H new ATOM 0 HB2 SER A 22 5.365 -8.943 7.198 1.00 1.04 H new ATOM 0 HB3 SER A 22 6.545 -8.076 8.161 1.00 1.04 H new ATOM 0 HG SER A 22 5.204 -6.258 8.167 1.00 1.15 H new ATOM 320 N ILE A 23 6.099 -9.172 4.425 1.00 0.71 N ATOM 321 CA ILE A 23 5.506 -9.825 3.281 1.00 0.66 C ATOM 322 C ILE A 23 4.175 -10.433 3.746 1.00 0.66 C ATOM 323 O ILE A 23 3.957 -10.593 4.946 1.00 0.74 O ATOM 324 CB ILE A 23 6.512 -10.874 2.784 1.00 0.78 C ATOM 325 CG1 ILE A 23 7.864 -10.322 2.289 1.00 1.03 C ATOM 326 CG2 ILE A 23 5.947 -11.682 1.618 1.00 0.76 C ATOM 327 CD1 ILE A 23 8.599 -9.259 3.110 1.00 1.06 C ATOM 0 H ILE A 23 6.803 -9.742 4.894 1.00 0.71 H new ATOM 0 HA ILE A 23 5.292 -9.151 2.452 1.00 0.66 H new ATOM 0 HB ILE A 23 6.686 -11.474 3.677 1.00 0.78 H new ATOM 0 HG12 ILE A 23 8.540 -11.170 2.176 1.00 1.03 H new ATOM 0 HG13 ILE A 23 7.702 -9.909 1.293 1.00 1.03 H new ATOM 0 HG21 ILE A 23 6.685 -12.415 1.292 1.00 0.76 H new ATOM 0 HG22 ILE A 23 5.041 -12.197 1.937 1.00 0.76 H new ATOM 0 HG23 ILE A 23 5.711 -11.012 0.791 1.00 0.76 H new ATOM 0 HD11 ILE A 23 9.529 -8.991 2.609 1.00 1.06 H new ATOM 0 HD12 ILE A 23 7.970 -8.374 3.205 1.00 1.06 H new ATOM 0 HD13 ILE A 23 8.821 -9.654 4.101 1.00 1.06 H new ATOM 339 N LEU A 24 3.282 -10.745 2.805 1.00 0.64 N ATOM 340 CA LEU A 24 1.931 -11.210 3.073 1.00 0.72 C ATOM 341 C LEU A 24 1.829 -12.712 2.788 1.00 0.85 C ATOM 342 O LEU A 24 2.033 -13.505 3.700 1.00 1.04 O ATOM 343 CB LEU A 24 0.965 -10.347 2.250 1.00 0.72 C ATOM 344 CG LEU A 24 1.105 -8.852 2.566 1.00 0.66 C ATOM 345 CD1 LEU A 24 0.232 -8.090 1.581 1.00 0.94 C ATOM 346 CD2 LEU A 24 0.705 -8.534 4.001 1.00 0.90 C ATOM 0 H LEU A 24 3.490 -10.677 1.809 1.00 0.64 H new ATOM 0 HA LEU A 24 1.661 -11.096 4.123 1.00 0.72 H new ATOM 0 HB2 LEU A 24 1.150 -10.510 1.188 1.00 0.72 H new ATOM 0 HB3 LEU A 24 -0.059 -10.663 2.447 1.00 0.72 H new ATOM 0 HG LEU A 24 2.149 -8.554 2.466 1.00 0.66 H new ATOM 0 HD11 LEU A 24 0.309 -7.021 1.778 1.00 0.94 H new ATOM 0 HD12 LEU A 24 0.566 -8.296 0.564 1.00 0.94 H new ATOM 0 HD13 LEU A 24 -0.805 -8.406 1.694 1.00 0.94 H new ATOM 0 HD21 LEU A 24 0.819 -7.465 4.182 1.00 0.90 H new ATOM 0 HD22 LEU A 24 -0.335 -8.820 4.161 1.00 0.90 H new ATOM 0 HD23 LEU A 24 1.344 -9.089 4.688 1.00 0.90 H new ATOM 358 N GLU A 25 1.566 -13.091 1.535 1.00 0.83 N ATOM 359 CA GLU A 25 1.454 -14.458 1.016 1.00 0.98 C ATOM 360 C GLU A 25 0.378 -15.278 1.732 1.00 1.23 C ATOM 361 O GLU A 25 0.670 -16.084 2.609 1.00 2.08 O ATOM 362 CB GLU A 25 2.792 -15.221 0.853 1.00 1.30 C ATOM 363 CG GLU A 25 4.058 -14.453 1.225 1.00 1.22 C ATOM 364 CD GLU A 25 5.326 -15.293 1.040 1.00 1.44 C ATOM 365 OE1 GLU A 25 6.176 -14.874 0.223 1.00 2.35 O ATOM 366 OE2 GLU A 25 5.450 -16.329 1.732 1.00 1.61 O ATOM 0 H GLU A 25 1.414 -12.399 0.801 1.00 0.83 H new ATOM 0 HA GLU A 25 1.114 -14.320 -0.010 1.00 0.98 H new ATOM 0 HB2 GLU A 25 2.748 -16.123 1.463 1.00 1.30 H new ATOM 0 HB3 GLU A 25 2.879 -15.542 -0.185 1.00 1.30 H new ATOM 0 HG2 GLU A 25 4.128 -13.554 0.612 1.00 1.22 H new ATOM 0 HG3 GLU A 25 3.990 -14.126 2.263 1.00 1.22 H new ATOM 373 N GLU A 26 -0.864 -15.090 1.277 1.00 1.37 N ATOM 374 CA GLU A 26 -2.088 -15.851 1.541 1.00 1.78 C ATOM 375 C GLU A 26 -3.121 -14.937 2.175 1.00 1.43 C ATOM 376 O GLU A 26 -2.885 -14.373 3.237 1.00 2.13 O ATOM 377 CB GLU A 26 -1.979 -17.072 2.469 1.00 2.78 C ATOM 378 CG GLU A 26 -1.397 -18.337 1.826 1.00 3.80 C ATOM 379 CD GLU A 26 -1.820 -19.583 2.615 1.00 4.73 C ATOM 380 OE1 GLU A 26 -3.013 -19.946 2.500 1.00 5.28 O ATOM 381 OE2 GLU A 26 -0.959 -20.168 3.310 1.00 5.43 O ATOM 0 H GLU A 26 -1.057 -14.314 0.644 1.00 1.37 H new ATOM 0 HA GLU A 26 -2.353 -16.234 0.556 1.00 1.78 H new ATOM 0 HB2 GLU A 26 -1.360 -16.802 3.325 1.00 2.78 H new ATOM 0 HB3 GLU A 26 -2.972 -17.304 2.854 1.00 2.78 H new ATOM 0 HG2 GLU A 26 -1.740 -18.419 0.794 1.00 3.80 H new ATOM 0 HG3 GLU A 26 -0.309 -18.270 1.796 1.00 3.80 H new ATOM 388 N GLY A 27 -4.302 -14.865 1.561 1.00 1.61 N ATOM 389 CA GLY A 27 -5.542 -14.486 2.227 1.00 2.10 C ATOM 390 C GLY A 27 -5.617 -13.052 2.747 1.00 1.65 C ATOM 391 O GLY A 27 -6.674 -12.655 3.231 1.00 1.85 O ATOM 0 H GLY A 27 -4.423 -15.073 0.570 1.00 1.61 H new ATOM 0 HA2 GLY A 27 -6.366 -14.642 1.531 1.00 2.10 H new ATOM 0 HA3 GLY A 27 -5.701 -15.163 3.066 1.00 2.10 H new ATOM 395 N GLU A 28 -4.536 -12.277 2.690 1.00 1.33 N ATOM 396 CA GLU A 28 -4.526 -10.954 3.270 1.00 1.28 C ATOM 397 C GLU A 28 -5.378 -10.018 2.436 1.00 1.06 C ATOM 398 O GLU A 28 -5.410 -10.092 1.207 1.00 1.21 O ATOM 399 CB GLU A 28 -3.090 -10.436 3.348 1.00 1.66 C ATOM 400 CG GLU A 28 -2.398 -11.007 4.592 1.00 2.24 C ATOM 401 CD GLU A 28 -2.777 -10.192 5.828 1.00 3.22 C ATOM 402 OE1 GLU A 28 -1.913 -10.003 6.711 1.00 3.99 O ATOM 403 OE2 GLU A 28 -3.887 -9.609 5.841 1.00 3.93 O ATOM 0 H GLU A 28 -3.660 -12.551 2.246 1.00 1.33 H new ATOM 0 HA GLU A 28 -4.940 -10.999 4.277 1.00 1.28 H new ATOM 0 HB2 GLU A 28 -2.541 -10.723 2.451 1.00 1.66 H new ATOM 0 HB3 GLU A 28 -3.088 -9.347 3.388 1.00 1.66 H new ATOM 0 HG2 GLU A 28 -2.687 -12.049 4.732 1.00 2.24 H new ATOM 0 HG3 GLU A 28 -1.317 -10.992 4.455 1.00 2.24 H new ATOM 410 N ASP A 29 -6.031 -9.085 3.119 1.00 1.03 N ATOM 411 CA ASP A 29 -6.699 -8.010 2.417 1.00 1.00 C ATOM 412 C ASP A 29 -5.593 -7.126 1.862 1.00 0.77 C ATOM 413 O ASP A 29 -4.873 -6.477 2.621 1.00 0.92 O ATOM 414 CB ASP A 29 -7.600 -7.180 3.342 1.00 1.29 C ATOM 415 CG ASP A 29 -9.048 -7.650 3.434 1.00 1.90 C ATOM 416 OD1 ASP A 29 -9.475 -8.447 2.572 1.00 2.42 O ATOM 417 OD2 ASP A 29 -9.730 -7.116 4.338 1.00 2.99 O ATOM 0 H ASP A 29 -6.109 -9.055 4.136 1.00 1.03 H new ATOM 0 HA ASP A 29 -7.346 -8.418 1.640 1.00 1.00 H new ATOM 0 HB2 ASP A 29 -7.169 -7.186 4.343 1.00 1.29 H new ATOM 0 HB3 ASP A 29 -7.592 -6.146 2.998 1.00 1.29 H new ATOM 422 N VAL A 30 -5.461 -7.076 0.541 1.00 0.70 N ATOM 423 CA VAL A 30 -4.606 -6.108 -0.117 1.00 0.69 C ATOM 424 C VAL A 30 -5.506 -5.033 -0.702 1.00 0.66 C ATOM 425 O VAL A 30 -6.643 -5.300 -1.090 1.00 0.90 O ATOM 426 CB VAL A 30 -3.731 -6.776 -1.188 1.00 0.88 C ATOM 427 CG1 VAL A 30 -2.656 -7.632 -0.514 1.00 1.24 C ATOM 428 CG2 VAL A 30 -4.530 -7.647 -2.165 1.00 1.30 C ATOM 0 H VAL A 30 -5.945 -7.706 -0.099 1.00 0.70 H new ATOM 0 HA VAL A 30 -3.912 -5.661 0.595 1.00 0.69 H new ATOM 0 HB VAL A 30 -3.280 -5.972 -1.769 1.00 0.88 H new ATOM 0 HG11 VAL A 30 -2.037 -8.105 -1.276 1.00 1.24 H new ATOM 0 HG12 VAL A 30 -2.033 -7.001 0.120 1.00 1.24 H new ATOM 0 HG13 VAL A 30 -3.132 -8.401 0.095 1.00 1.24 H new ATOM 0 HG21 VAL A 30 -3.853 -8.089 -2.896 1.00 1.30 H new ATOM 0 HG22 VAL A 30 -5.038 -8.439 -1.615 1.00 1.30 H new ATOM 0 HG23 VAL A 30 -5.268 -7.032 -2.680 1.00 1.30 H new ATOM 438 N ARG A 31 -5.002 -3.806 -0.792 1.00 0.64 N ATOM 439 CA ARG A 31 -5.699 -2.731 -1.466 1.00 0.64 C ATOM 440 C ARG A 31 -4.655 -2.032 -2.310 1.00 0.67 C ATOM 441 O ARG A 31 -3.558 -1.761 -1.822 1.00 1.15 O ATOM 442 CB ARG A 31 -6.349 -1.804 -0.432 1.00 0.70 C ATOM 443 CG ARG A 31 -7.373 -0.881 -1.101 1.00 0.95 C ATOM 444 CD ARG A 31 -8.130 -0.074 -0.043 1.00 1.38 C ATOM 445 NE ARG A 31 -9.261 0.653 -0.639 1.00 1.83 N ATOM 446 CZ ARG A 31 -10.376 1.021 0.008 1.00 2.46 C ATOM 447 NH1 ARG A 31 -11.358 1.629 -0.660 1.00 3.15 N ATOM 448 NH2 ARG A 31 -10.516 0.781 1.312 1.00 3.28 N ATOM 0 H ARG A 31 -4.101 -3.536 -0.399 1.00 0.64 H new ATOM 0 HA ARG A 31 -6.513 -3.084 -2.100 1.00 0.64 H new ATOM 0 HB2 ARG A 31 -6.837 -2.398 0.340 1.00 0.70 H new ATOM 0 HB3 ARG A 31 -5.582 -1.207 0.062 1.00 0.70 H new ATOM 0 HG2 ARG A 31 -6.868 -0.205 -1.791 1.00 0.95 H new ATOM 0 HG3 ARG A 31 -8.075 -1.471 -1.690 1.00 0.95 H new ATOM 0 HD2 ARG A 31 -8.494 -0.743 0.737 1.00 1.38 H new ATOM 0 HD3 ARG A 31 -7.451 0.632 0.434 1.00 1.38 H new ATOM 0 HE ARG A 31 -9.191 0.898 -1.627 1.00 1.83 H new ATOM 0 HH11 ARG A 31 -11.258 1.812 -1.659 1.00 3.15 H new ATOM 0 HH12 ARG A 31 -12.208 1.911 -0.172 1.00 3.15 H new ATOM 0 HH21 ARG A 31 -9.770 0.313 1.827 1.00 3.28 H new ATOM 0 HH22 ARG A 31 -11.369 1.065 1.794 1.00 3.28 H new ATOM 462 N ARG A 32 -4.971 -1.754 -3.573 1.00 0.52 N ATOM 463 CA ARG A 32 -4.063 -1.009 -4.423 1.00 0.52 C ATOM 464 C ARG A 32 -4.618 0.382 -4.603 1.00 0.57 C ATOM 465 O ARG A 32 -5.801 0.563 -4.881 1.00 0.90 O ATOM 466 CB ARG A 32 -3.737 -1.733 -5.737 1.00 0.64 C ATOM 467 CG ARG A 32 -4.937 -2.164 -6.589 1.00 1.12 C ATOM 468 CD ARG A 32 -5.361 -1.101 -7.605 1.00 0.92 C ATOM 469 NE ARG A 32 -6.476 -1.586 -8.428 1.00 1.39 N ATOM 470 CZ ARG A 32 -7.099 -0.865 -9.367 1.00 1.73 C ATOM 471 NH1 ARG A 32 -8.102 -1.403 -10.064 1.00 2.20 N ATOM 472 NH2 ARG A 32 -6.713 0.389 -9.605 1.00 2.42 N ATOM 0 H ARG A 32 -5.843 -2.033 -4.022 1.00 0.52 H new ATOM 0 HA ARG A 32 -3.090 -0.930 -3.939 1.00 0.52 H new ATOM 0 HB2 ARG A 32 -3.106 -1.080 -6.340 1.00 0.64 H new ATOM 0 HB3 ARG A 32 -3.147 -2.619 -5.503 1.00 0.64 H new ATOM 0 HG2 ARG A 32 -4.689 -3.085 -7.117 1.00 1.12 H new ATOM 0 HG3 ARG A 32 -5.779 -2.389 -5.934 1.00 1.12 H new ATOM 0 HD2 ARG A 32 -5.656 -0.190 -7.084 1.00 0.92 H new ATOM 0 HD3 ARG A 32 -4.516 -0.844 -8.244 1.00 0.92 H new ATOM 0 HE ARG A 32 -6.799 -2.541 -8.273 1.00 1.39 H new ATOM 0 HH11 ARG A 32 -8.393 -2.363 -9.881 1.00 2.20 H new ATOM 0 HH12 ARG A 32 -8.578 -0.854 -10.780 1.00 2.20 H new ATOM 0 HH21 ARG A 32 -5.945 0.796 -9.072 1.00 2.42 H new ATOM 0 HH22 ARG A 32 -7.186 0.941 -10.320 1.00 2.42 H new ATOM 486 N LEU A 33 -3.745 1.355 -4.395 1.00 0.52 N ATOM 487 CA LEU A 33 -3.995 2.753 -4.594 1.00 0.57 C ATOM 488 C LEU A 33 -4.274 3.003 -6.073 1.00 0.56 C ATOM 489 O LEU A 33 -3.800 2.251 -6.930 1.00 0.63 O ATOM 490 CB LEU A 33 -2.735 3.507 -4.146 1.00 0.77 C ATOM 491 CG LEU A 33 -2.310 3.191 -2.699 1.00 0.67 C ATOM 492 CD1 LEU A 33 -1.190 4.137 -2.262 1.00 2.02 C ATOM 493 CD2 LEU A 33 -3.501 3.236 -1.733 1.00 1.40 C ATOM 0 H LEU A 33 -2.798 1.169 -4.066 1.00 0.52 H new ATOM 0 HA LEU A 33 -4.858 3.093 -4.021 1.00 0.57 H new ATOM 0 HB2 LEU A 33 -1.914 3.259 -4.819 1.00 0.77 H new ATOM 0 HB3 LEU A 33 -2.911 4.579 -4.239 1.00 0.77 H new ATOM 0 HG LEU A 33 -1.927 2.171 -2.671 1.00 0.67 H new ATOM 0 HD11 LEU A 33 -0.897 3.905 -1.238 1.00 2.02 H new ATOM 0 HD12 LEU A 33 -0.331 4.014 -2.922 1.00 2.02 H new ATOM 0 HD13 LEU A 33 -1.543 5.167 -2.314 1.00 2.02 H new ATOM 0 HD21 LEU A 33 -3.159 3.008 -0.723 1.00 1.40 H new ATOM 0 HD22 LEU A 33 -3.945 4.231 -1.749 1.00 1.40 H new ATOM 0 HD23 LEU A 33 -4.246 2.501 -2.039 1.00 1.40 H new ATOM 505 N PRO A 34 -4.965 4.103 -6.395 1.00 0.58 N ATOM 506 CA PRO A 34 -5.134 4.540 -7.768 1.00 0.65 C ATOM 507 C PRO A 34 -3.784 4.855 -8.416 1.00 0.66 C ATOM 508 O PRO A 34 -3.667 4.783 -9.635 1.00 0.81 O ATOM 509 CB PRO A 34 -6.055 5.763 -7.702 1.00 0.71 C ATOM 510 CG PRO A 34 -5.833 6.303 -6.290 1.00 0.67 C ATOM 511 CD PRO A 34 -5.587 5.038 -5.473 1.00 0.59 C ATOM 0 HA PRO A 34 -5.574 3.763 -8.394 1.00 0.65 H new ATOM 0 HB2 PRO A 34 -5.795 6.502 -8.460 1.00 0.71 H new ATOM 0 HB3 PRO A 34 -7.097 5.490 -7.868 1.00 0.71 H new ATOM 0 HG2 PRO A 34 -4.982 6.983 -6.247 1.00 0.67 H new ATOM 0 HG3 PRO A 34 -6.700 6.855 -5.928 1.00 0.67 H new ATOM 0 HD2 PRO A 34 -4.939 5.240 -4.620 1.00 0.59 H new ATOM 0 HD3 PRO A 34 -6.520 4.638 -5.076 1.00 0.59 H new ATOM 519 N CYS A 35 -2.741 5.143 -7.627 1.00 0.58 N ATOM 520 CA CYS A 35 -1.441 5.536 -8.149 1.00 0.65 C ATOM 521 C CYS A 35 -0.579 4.299 -8.451 1.00 0.71 C ATOM 522 O CYS A 35 0.649 4.348 -8.289 1.00 0.82 O ATOM 523 CB CYS A 35 -0.780 6.432 -7.088 1.00 0.65 C ATOM 524 SG CYS A 35 0.054 5.487 -5.764 1.00 1.16 S ATOM 0 H CYS A 35 -2.783 5.108 -6.608 1.00 0.58 H new ATOM 0 HA CYS A 35 -1.548 6.078 -9.088 1.00 0.65 H new ATOM 0 HB2 CYS A 35 -0.053 7.083 -7.574 1.00 0.65 H new ATOM 0 HB3 CYS A 35 -1.538 7.077 -6.643 1.00 0.65 H new ATOM 529 N MET A 36 -1.219 3.180 -8.799 1.00 0.76 N ATOM 530 CA MET A 36 -0.660 1.841 -8.848 1.00 0.77 C ATOM 531 C MET A 36 0.377 1.596 -7.756 1.00 0.75 C ATOM 532 O MET A 36 1.580 1.697 -7.981 1.00 0.88 O ATOM 533 CB MET A 36 -0.080 1.524 -10.231 1.00 0.94 C ATOM 534 CG MET A 36 -1.128 1.620 -11.339 1.00 1.21 C ATOM 535 SD MET A 36 -0.577 0.848 -12.883 1.00 2.05 S ATOM 536 CE MET A 36 -1.927 1.338 -13.983 1.00 2.63 C ATOM 0 H MET A 36 -2.202 3.194 -9.070 1.00 0.76 H new ATOM 0 HA MET A 36 -1.488 1.158 -8.660 1.00 0.77 H new ATOM 0 HB2 MET A 36 0.736 2.214 -10.446 1.00 0.94 H new ATOM 0 HB3 MET A 36 0.345 0.520 -10.222 1.00 0.94 H new ATOM 0 HG2 MET A 36 -2.049 1.142 -11.006 1.00 1.21 H new ATOM 0 HG3 MET A 36 -1.362 2.668 -11.524 1.00 1.21 H new ATOM 0 HE1 MET A 36 -1.744 0.942 -14.982 1.00 2.63 H new ATOM 0 HE2 MET A 36 -2.868 0.942 -13.602 1.00 2.63 H new ATOM 0 HE3 MET A 36 -1.983 2.426 -14.028 1.00 2.63 H new ATOM 546 N HIS A 37 -0.084 1.247 -6.560 1.00 0.69 N ATOM 547 CA HIS A 37 0.783 0.727 -5.517 1.00 0.70 C ATOM 548 C HIS A 37 -0.059 -0.227 -4.691 1.00 0.81 C ATOM 549 O HIS A 37 -1.093 0.194 -4.183 1.00 1.35 O ATOM 550 CB HIS A 37 1.322 1.879 -4.658 1.00 0.66 C ATOM 551 CG HIS A 37 2.699 2.304 -5.090 1.00 0.82 C ATOM 552 ND1 HIS A 37 3.019 3.331 -5.979 1.00 0.79 N ATOM 553 CD2 HIS A 37 3.847 1.662 -4.718 1.00 1.13 C ATOM 554 CE1 HIS A 37 4.349 3.277 -6.128 1.00 1.08 C ATOM 555 NE2 HIS A 37 4.878 2.291 -5.378 1.00 1.29 N ATOM 0 H HIS A 37 -1.065 1.317 -6.290 1.00 0.69 H new ATOM 0 HA HIS A 37 1.647 0.209 -5.934 1.00 0.70 H new ATOM 0 HB2 HIS A 37 0.643 2.729 -4.723 1.00 0.66 H new ATOM 0 HB3 HIS A 37 1.348 1.571 -3.613 1.00 0.66 H new ATOM 0 HD2 HIS A 37 3.929 0.826 -4.040 1.00 1.13 H new ATOM 0 HE1 HIS A 37 4.921 3.936 -6.764 1.00 1.08 H new ATOM 0 HE2 HIS A 37 5.868 2.053 -5.311 1.00 1.29 H new ATOM 563 N LEU A 38 0.328 -1.500 -4.582 1.00 0.68 N ATOM 564 CA LEU A 38 -0.404 -2.436 -3.743 1.00 0.69 C ATOM 565 C LEU A 38 0.215 -2.424 -2.357 1.00 0.67 C ATOM 566 O LEU A 38 1.433 -2.509 -2.229 1.00 0.90 O ATOM 567 CB LEU A 38 -0.537 -3.820 -4.391 1.00 1.11 C ATOM 568 CG LEU A 38 0.159 -4.978 -3.664 1.00 0.87 C ATOM 569 CD1 LEU A 38 -0.615 -6.249 -3.981 1.00 1.54 C ATOM 570 CD2 LEU A 38 1.605 -5.055 -4.138 1.00 1.88 C ATOM 0 H LEU A 38 1.136 -1.898 -5.061 1.00 0.68 H new ATOM 0 HA LEU A 38 -1.442 -2.120 -3.635 1.00 0.69 H new ATOM 0 HB2 LEU A 38 -1.597 -4.057 -4.477 1.00 1.11 H new ATOM 0 HB3 LEU A 38 -0.140 -3.763 -5.404 1.00 1.11 H new ATOM 0 HG LEU A 38 0.173 -4.835 -2.583 1.00 0.87 H new ATOM 0 HD11 LEU A 38 -0.146 -7.095 -3.479 1.00 1.54 H new ATOM 0 HD12 LEU A 38 -1.643 -6.145 -3.634 1.00 1.54 H new ATOM 0 HD13 LEU A 38 -0.611 -6.419 -5.058 1.00 1.54 H new ATOM 0 HD21 LEU A 38 2.112 -5.875 -3.629 1.00 1.88 H new ATOM 0 HD22 LEU A 38 1.626 -5.228 -5.214 1.00 1.88 H new ATOM 0 HD23 LEU A 38 2.113 -4.118 -3.911 1.00 1.88 H new ATOM 582 N PHE A 39 -0.628 -2.341 -1.331 1.00 0.63 N ATOM 583 CA PHE A 39 -0.234 -2.456 0.057 1.00 0.78 C ATOM 584 C PHE A 39 -1.305 -3.289 0.771 1.00 1.02 C ATOM 585 O PHE A 39 -2.196 -3.864 0.148 1.00 2.29 O ATOM 586 CB PHE A 39 -0.073 -1.056 0.685 1.00 0.88 C ATOM 587 CG PHE A 39 0.932 -0.122 0.027 1.00 0.89 C ATOM 588 CD1 PHE A 39 0.583 1.217 -0.240 1.00 1.68 C ATOM 589 CD2 PHE A 39 2.227 -0.569 -0.294 1.00 1.62 C ATOM 590 CE1 PHE A 39 1.514 2.094 -0.823 1.00 1.81 C ATOM 591 CE2 PHE A 39 3.139 0.294 -0.927 1.00 1.73 C ATOM 592 CZ PHE A 39 2.792 1.630 -1.178 1.00 1.28 C ATOM 0 H PHE A 39 -1.629 -2.188 -1.453 1.00 0.63 H new ATOM 0 HA PHE A 39 0.732 -2.951 0.153 1.00 0.78 H new ATOM 0 HB2 PHE A 39 -1.047 -0.566 0.679 1.00 0.88 H new ATOM 0 HB3 PHE A 39 0.213 -1.183 1.729 1.00 0.88 H new ATOM 0 HD1 PHE A 39 -0.407 1.572 0.005 1.00 1.68 H new ATOM 0 HD2 PHE A 39 2.522 -1.580 -0.053 1.00 1.62 H new ATOM 0 HE1 PHE A 39 1.247 3.126 -0.998 1.00 1.81 H new ATOM 0 HE2 PHE A 39 4.111 -0.073 -1.221 1.00 1.73 H new ATOM 0 HZ PHE A 39 3.503 2.298 -1.641 1.00 1.28 H new ATOM 602 N HIS A 40 -1.200 -3.371 2.090 1.00 0.70 N ATOM 603 CA HIS A 40 -2.083 -4.103 2.986 1.00 0.63 C ATOM 604 C HIS A 40 -3.257 -3.189 3.323 1.00 0.74 C ATOM 605 O HIS A 40 -3.016 -2.014 3.576 1.00 1.41 O ATOM 606 CB HIS A 40 -1.222 -4.324 4.227 1.00 0.78 C ATOM 607 CG HIS A 40 -1.489 -5.459 5.164 1.00 0.60 C ATOM 608 ND1 HIS A 40 -0.673 -5.665 6.267 1.00 0.67 N ATOM 609 CD2 HIS A 40 -2.435 -6.438 5.093 1.00 0.70 C ATOM 610 CE1 HIS A 40 -1.134 -6.772 6.864 1.00 0.88 C ATOM 611 NE2 HIS A 40 -2.203 -7.239 6.191 1.00 0.90 N ATOM 0 H HIS A 40 -0.449 -2.899 2.594 1.00 0.70 H new ATOM 0 HA HIS A 40 -2.474 -5.035 2.579 1.00 0.63 H new ATOM 0 HB2 HIS A 40 -0.192 -4.429 3.885 1.00 0.78 H new ATOM 0 HB3 HIS A 40 -1.271 -3.408 4.815 1.00 0.78 H new ATOM 0 HD2 HIS A 40 -3.200 -6.560 4.340 1.00 0.70 H new ATOM 0 HE1 HIS A 40 -0.712 -7.222 7.751 1.00 0.88 H new ATOM 0 HE2 HIS A 40 -2.754 -8.056 6.452 1.00 0.90 H new ATOM 619 N GLN A 41 -4.501 -3.672 3.363 1.00 0.54 N ATOM 620 CA GLN A 41 -5.647 -2.802 3.613 1.00 0.62 C ATOM 621 C GLN A 41 -5.539 -2.123 4.980 1.00 0.68 C ATOM 622 O GLN A 41 -5.858 -0.946 5.112 1.00 1.03 O ATOM 623 CB GLN A 41 -6.965 -3.577 3.483 1.00 0.79 C ATOM 624 CG GLN A 41 -8.144 -2.593 3.519 1.00 1.17 C ATOM 625 CD GLN A 41 -9.519 -3.224 3.310 1.00 1.48 C ATOM 626 OE1 GLN A 41 -10.371 -2.603 2.682 1.00 2.51 O ATOM 627 NE2 GLN A 41 -9.776 -4.417 3.833 1.00 2.25 N ATOM 0 H GLN A 41 -4.737 -4.655 3.226 1.00 0.54 H new ATOM 0 HA GLN A 41 -5.643 -2.020 2.854 1.00 0.62 H new ATOM 0 HB2 GLN A 41 -6.977 -4.141 2.550 1.00 0.79 H new ATOM 0 HB3 GLN A 41 -7.056 -4.300 4.294 1.00 0.79 H new ATOM 0 HG2 GLN A 41 -8.139 -2.079 4.480 1.00 1.17 H new ATOM 0 HG3 GLN A 41 -7.988 -1.835 2.751 1.00 1.17 H new ATOM 0 HE21 GLN A 41 -9.051 -4.914 4.351 1.00 2.25 H new ATOM 0 HE22 GLN A 41 -10.698 -4.837 3.717 1.00 2.25 H new ATOM 636 N VAL A 42 -5.100 -2.855 6.004 1.00 0.60 N ATOM 637 CA VAL A 42 -4.947 -2.273 7.329 1.00 0.70 C ATOM 638 C VAL A 42 -3.898 -1.163 7.282 1.00 0.72 C ATOM 639 O VAL A 42 -4.173 -0.034 7.673 1.00 0.93 O ATOM 640 CB VAL A 42 -4.598 -3.367 8.354 1.00 0.80 C ATOM 641 CG1 VAL A 42 -4.390 -2.779 9.755 1.00 0.89 C ATOM 642 CG2 VAL A 42 -5.728 -4.402 8.428 1.00 0.95 C ATOM 0 H VAL A 42 -4.848 -3.841 5.939 1.00 0.60 H new ATOM 0 HA VAL A 42 -5.888 -1.826 7.650 1.00 0.70 H new ATOM 0 HB VAL A 42 -3.672 -3.837 8.023 1.00 0.80 H new ATOM 0 HG11 VAL A 42 -4.145 -3.580 10.453 1.00 0.89 H new ATOM 0 HG12 VAL A 42 -3.573 -2.058 9.729 1.00 0.89 H new ATOM 0 HG13 VAL A 42 -5.304 -2.281 10.080 1.00 0.89 H new ATOM 0 HG21 VAL A 42 -5.470 -5.171 9.156 1.00 0.95 H new ATOM 0 HG22 VAL A 42 -6.652 -3.910 8.731 1.00 0.95 H new ATOM 0 HG23 VAL A 42 -5.866 -4.861 7.449 1.00 0.95 H new ATOM 652 N CYS A 43 -2.680 -1.472 6.835 1.00 0.71 N ATOM 653 CA CYS A 43 -1.564 -0.567 7.067 1.00 0.90 C ATOM 654 C CYS A 43 -1.650 0.640 6.132 1.00 0.60 C ATOM 655 O CYS A 43 -1.221 1.738 6.485 1.00 0.56 O ATOM 656 CB CYS A 43 -0.263 -1.326 6.839 1.00 1.31 C ATOM 657 SG CYS A 43 -0.285 -2.833 7.840 1.00 1.72 S ATOM 0 H CYS A 43 -2.448 -2.323 6.322 1.00 0.71 H new ATOM 0 HA CYS A 43 -1.599 -0.199 8.092 1.00 0.90 H new ATOM 0 HB2 CYS A 43 -0.151 -1.575 5.784 1.00 1.31 H new ATOM 0 HB3 CYS A 43 0.590 -0.704 7.112 1.00 1.31 H new ATOM 662 N VAL A 44 -2.166 0.456 4.916 1.00 0.51 N ATOM 663 CA VAL A 44 -2.429 1.587 4.044 1.00 0.49 C ATOM 664 C VAL A 44 -3.354 2.558 4.779 1.00 0.52 C ATOM 665 O VAL A 44 -3.060 3.749 4.829 1.00 0.55 O ATOM 666 CB VAL A 44 -2.942 1.136 2.665 1.00 0.68 C ATOM 667 CG1 VAL A 44 -4.415 0.731 2.625 1.00 1.53 C ATOM 668 CG2 VAL A 44 -2.741 2.231 1.623 1.00 1.66 C ATOM 0 H VAL A 44 -2.405 -0.454 4.522 1.00 0.51 H new ATOM 0 HA VAL A 44 -1.505 2.120 3.818 1.00 0.49 H new ATOM 0 HB VAL A 44 -2.349 0.249 2.443 1.00 0.68 H new ATOM 0 HG11 VAL A 44 -4.682 0.429 1.612 1.00 1.53 H new ATOM 0 HG12 VAL A 44 -4.582 -0.102 3.308 1.00 1.53 H new ATOM 0 HG13 VAL A 44 -5.033 1.577 2.927 1.00 1.53 H new ATOM 0 HG21 VAL A 44 -3.112 1.887 0.657 1.00 1.66 H new ATOM 0 HG22 VAL A 44 -3.288 3.125 1.924 1.00 1.66 H new ATOM 0 HG23 VAL A 44 -1.680 2.465 1.542 1.00 1.66 H new ATOM 678 N ASP A 45 -4.394 2.057 5.456 1.00 0.60 N ATOM 679 CA ASP A 45 -5.269 2.870 6.298 1.00 0.74 C ATOM 680 C ASP A 45 -4.664 3.072 7.696 1.00 0.79 C ATOM 681 O ASP A 45 -5.350 3.044 8.714 1.00 0.93 O ATOM 682 CB ASP A 45 -6.653 2.211 6.373 1.00 0.88 C ATOM 683 CG ASP A 45 -7.728 3.188 6.852 1.00 1.39 C ATOM 684 OD1 ASP A 45 -8.799 2.695 7.274 1.00 2.20 O ATOM 685 OD2 ASP A 45 -7.504 4.412 6.711 1.00 2.30 O ATOM 0 H ASP A 45 -4.651 1.070 5.433 1.00 0.60 H new ATOM 0 HA ASP A 45 -5.374 3.860 5.855 1.00 0.74 H new ATOM 0 HB2 ASP A 45 -6.925 1.826 5.390 1.00 0.88 H new ATOM 0 HB3 ASP A 45 -6.612 1.357 7.049 1.00 0.88 H new ATOM 690 N GLN A 46 -3.351 3.304 7.747 1.00 0.73 N ATOM 691 CA GLN A 46 -2.603 3.665 8.936 1.00 0.84 C ATOM 692 C GLN A 46 -1.623 4.758 8.510 1.00 0.86 C ATOM 693 O GLN A 46 -1.755 5.916 8.901 1.00 1.12 O ATOM 694 CB GLN A 46 -1.925 2.418 9.528 1.00 0.90 C ATOM 695 CG GLN A 46 -1.363 2.662 10.931 1.00 1.08 C ATOM 696 CD GLN A 46 -0.626 1.422 11.435 1.00 1.44 C ATOM 697 OE1 GLN A 46 0.359 0.995 10.845 1.00 2.29 O ATOM 698 NE2 GLN A 46 -1.077 0.821 12.529 1.00 2.09 N ATOM 0 H GLN A 46 -2.760 3.240 6.918 1.00 0.73 H new ATOM 0 HA GLN A 46 -3.237 4.051 9.735 1.00 0.84 H new ATOM 0 HB2 GLN A 46 -2.646 1.601 9.567 1.00 0.90 H new ATOM 0 HB3 GLN A 46 -1.118 2.100 8.868 1.00 0.90 H new ATOM 0 HG2 GLN A 46 -0.684 3.514 10.914 1.00 1.08 H new ATOM 0 HG3 GLN A 46 -2.173 2.914 11.615 1.00 1.08 H new ATOM 0 HE21 GLN A 46 -1.898 1.187 13.010 1.00 2.09 H new ATOM 0 HE22 GLN A 46 -0.602 -0.007 12.888 1.00 2.09 H new ATOM 707 N ARG A 47 -0.665 4.420 7.643 1.00 0.74 N ATOM 708 CA ARG A 47 0.299 5.388 7.136 1.00 0.77 C ATOM 709 C ARG A 47 -0.379 6.454 6.278 1.00 0.76 C ATOM 710 O ARG A 47 -0.014 7.624 6.372 1.00 0.90 O ATOM 711 CB ARG A 47 1.413 4.657 6.388 1.00 0.78 C ATOM 712 CG ARG A 47 2.585 5.570 5.997 1.00 0.92 C ATOM 713 CD ARG A 47 3.652 4.731 5.282 1.00 1.03 C ATOM 714 NE ARG A 47 4.908 5.463 5.076 1.00 1.31 N ATOM 715 CZ ARG A 47 6.060 4.884 4.702 1.00 1.80 C ATOM 716 NH1 ARG A 47 7.182 5.604 4.656 1.00 2.15 N ATOM 717 NH2 ARG A 47 6.087 3.587 4.382 1.00 2.53 N ATOM 0 H ARG A 47 -0.540 3.476 7.278 1.00 0.74 H new ATOM 0 HA ARG A 47 0.748 5.919 7.975 1.00 0.77 H new ATOM 0 HB2 ARG A 47 1.787 3.845 7.011 1.00 0.78 H new ATOM 0 HB3 ARG A 47 0.999 4.203 5.487 1.00 0.78 H new ATOM 0 HG2 ARG A 47 2.237 6.372 5.346 1.00 0.92 H new ATOM 0 HG3 ARG A 47 3.008 6.041 6.884 1.00 0.92 H new ATOM 0 HD2 ARG A 47 3.852 3.832 5.865 1.00 1.03 H new ATOM 0 HD3 ARG A 47 3.265 4.405 4.317 1.00 1.03 H new ATOM 0 HE ARG A 47 4.905 6.472 5.226 1.00 1.31 H new ATOM 0 HH11 ARG A 47 7.164 6.593 4.905 1.00 2.15 H new ATOM 0 HH12 ARG A 47 8.058 5.166 4.372 1.00 2.15 H new ATOM 0 HH21 ARG A 47 5.231 3.034 4.421 1.00 2.53 H new ATOM 0 HH22 ARG A 47 6.964 3.150 4.098 1.00 2.53 H new ATOM 731 N LEU A 48 -1.342 6.076 5.433 1.00 0.66 N ATOM 732 CA LEU A 48 -2.008 7.024 4.546 1.00 0.73 C ATOM 733 C LEU A 48 -3.332 7.499 5.158 1.00 0.96 C ATOM 734 O LEU A 48 -4.252 7.853 4.427 1.00 1.61 O ATOM 735 CB LEU A 48 -2.244 6.435 3.137 1.00 0.67 C ATOM 736 CG LEU A 48 -1.010 6.086 2.288 1.00 0.65 C ATOM 737 CD1 LEU A 48 -0.085 7.288 2.080 1.00 0.83 C ATOM 738 CD2 LEU A 48 -0.193 4.924 2.852 1.00 0.68 C ATOM 0 H LEU A 48 -1.676 5.116 5.347 1.00 0.66 H new ATOM 0 HA LEU A 48 -1.344 7.881 4.433 1.00 0.73 H new ATOM 0 HB2 LEU A 48 -2.840 5.529 3.248 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -2.847 7.147 2.574 1.00 0.67 H new ATOM 0 HG LEU A 48 -1.422 5.778 1.327 1.00 0.65 H new ATOM 0 HD11 LEU A 48 0.770 6.988 1.475 1.00 0.83 H new ATOM 0 HD12 LEU A 48 -0.630 8.083 1.570 1.00 0.83 H new ATOM 0 HD13 LEU A 48 0.264 7.650 3.047 1.00 0.83 H new ATOM 0 HD21 LEU A 48 0.662 4.732 2.204 1.00 0.68 H new ATOM 0 HD22 LEU A 48 0.160 5.178 3.852 1.00 0.68 H new ATOM 0 HD23 LEU A 48 -0.817 4.032 2.904 1.00 0.68 H new ATOM 750 N ILE A 49 -3.448 7.563 6.491 1.00 0.83 N ATOM 751 CA ILE A 49 -4.551 8.312 7.088 1.00 0.93 C ATOM 752 C ILE A 49 -4.263 9.797 6.846 1.00 0.89 C ATOM 753 O ILE A 49 -5.024 10.509 6.198 1.00 1.67 O ATOM 754 CB ILE A 49 -4.708 7.998 8.593 1.00 1.24 C ATOM 755 CG1 ILE A 49 -5.025 6.508 8.815 1.00 1.47 C ATOM 756 CG2 ILE A 49 -5.836 8.850 9.200 1.00 2.31 C ATOM 757 CD1 ILE A 49 -5.018 6.124 10.301 1.00 2.29 C ATOM 0 H ILE A 49 -2.812 7.120 7.154 1.00 0.83 H new ATOM 0 HA ILE A 49 -5.498 8.027 6.630 1.00 0.93 H new ATOM 0 HB ILE A 49 -3.764 8.236 9.083 1.00 1.24 H new ATOM 0 HG12 ILE A 49 -6.001 6.279 8.388 1.00 1.47 H new ATOM 0 HG13 ILE A 49 -4.294 5.900 8.282 1.00 1.47 H new ATOM 0 HG21 ILE A 49 -5.936 8.619 10.261 1.00 2.31 H new ATOM 0 HG22 ILE A 49 -5.599 9.907 9.080 1.00 2.31 H new ATOM 0 HG23 ILE A 49 -6.774 8.629 8.690 1.00 2.31 H new ATOM 0 HD11 ILE A 49 -5.247 5.063 10.404 1.00 2.29 H new ATOM 0 HD12 ILE A 49 -4.034 6.325 10.724 1.00 2.29 H new ATOM 0 HD13 ILE A 49 -5.768 6.710 10.832 1.00 2.29 H new ATOM 769 N THR A 50 -3.137 10.269 7.379 1.00 1.41 N ATOM 770 CA THR A 50 -2.795 11.685 7.424 1.00 1.72 C ATOM 771 C THR A 50 -2.028 12.130 6.172 1.00 1.57 C ATOM 772 O THR A 50 -1.630 13.287 6.066 1.00 2.14 O ATOM 773 CB THR A 50 -2.002 11.905 8.722 1.00 2.17 C ATOM 774 OG1 THR A 50 -2.794 11.402 9.779 1.00 2.85 O ATOM 775 CG2 THR A 50 -1.653 13.365 9.023 1.00 3.19 C ATOM 0 H THR A 50 -2.428 9.667 7.797 1.00 1.41 H new ATOM 0 HA THR A 50 -3.693 12.304 7.427 1.00 1.72 H new ATOM 0 HB THR A 50 -1.046 11.393 8.609 1.00 2.17 H new ATOM 0 HG1 THR A 50 -2.320 11.522 10.629 1.00 2.85 H new ATOM 0 HG21 THR A 50 -1.094 13.420 9.957 1.00 3.19 H new ATOM 0 HG22 THR A 50 -1.046 13.768 8.213 1.00 3.19 H new ATOM 0 HG23 THR A 50 -2.570 13.947 9.114 1.00 3.19 H new ATOM 783 N ASN A 51 -1.813 11.242 5.200 1.00 1.09 N ATOM 784 CA ASN A 51 -1.096 11.575 3.978 1.00 0.97 C ATOM 785 C ASN A 51 -1.728 10.779 2.847 1.00 1.06 C ATOM 786 O ASN A 51 -2.190 9.670 3.080 1.00 1.51 O ATOM 787 CB ASN A 51 0.388 11.235 4.145 1.00 1.09 C ATOM 788 CG ASN A 51 1.202 11.706 2.949 1.00 1.11 C ATOM 789 OD1 ASN A 51 0.718 12.457 2.110 1.00 1.24 O ATOM 790 ND2 ASN A 51 2.452 11.280 2.850 1.00 1.76 N ATOM 0 H ASN A 51 -2.132 10.274 5.242 1.00 1.09 H new ATOM 0 HA ASN A 51 -1.162 12.640 3.754 1.00 0.97 H new ATOM 0 HB2 ASN A 51 0.770 11.701 5.053 1.00 1.09 H new ATOM 0 HB3 ASN A 51 0.505 10.158 4.266 1.00 1.09 H new ATOM 0 HD21 ASN A 51 3.031 11.577 2.065 1.00 1.76 H new ATOM 0 HD22 ASN A 51 2.836 10.655 3.559 1.00 1.76 H new ATOM 797 N LYS A 52 -1.801 11.332 1.637 1.00 0.82 N ATOM 798 CA LYS A 52 -2.656 10.782 0.601 1.00 0.84 C ATOM 799 C LYS A 52 -2.118 11.187 -0.761 1.00 0.70 C ATOM 800 O LYS A 52 -2.838 11.743 -1.581 1.00 0.96 O ATOM 801 CB LYS A 52 -4.109 11.232 0.843 1.00 1.17 C ATOM 802 CG LYS A 52 -4.281 12.695 1.292 1.00 1.84 C ATOM 803 CD LYS A 52 -5.772 12.983 1.494 1.00 1.98 C ATOM 804 CE LYS A 52 -6.032 14.086 2.523 1.00 3.12 C ATOM 805 NZ LYS A 52 -7.478 14.190 2.817 1.00 3.76 N ATOM 0 H LYS A 52 -1.276 12.160 1.356 1.00 0.82 H new ATOM 0 HA LYS A 52 -2.656 9.692 0.631 1.00 0.84 H new ATOM 0 HB2 LYS A 52 -4.676 11.083 -0.076 1.00 1.17 H new ATOM 0 HB3 LYS A 52 -4.551 10.583 1.599 1.00 1.17 H new ATOM 0 HG2 LYS A 52 -3.735 12.871 2.219 1.00 1.84 H new ATOM 0 HG3 LYS A 52 -3.865 13.370 0.544 1.00 1.84 H new ATOM 0 HD2 LYS A 52 -6.214 13.272 0.540 1.00 1.98 H new ATOM 0 HD3 LYS A 52 -6.273 12.069 1.814 1.00 1.98 H new ATOM 0 HE2 LYS A 52 -5.483 13.873 3.440 1.00 3.12 H new ATOM 0 HE3 LYS A 52 -5.662 15.039 2.145 1.00 3.12 H new ATOM 0 HZ1 LYS A 52 -7.637 14.943 3.517 1.00 3.76 H new ATOM 0 HZ2 LYS A 52 -7.995 14.415 1.943 1.00 3.76 H new ATOM 0 HZ3 LYS A 52 -7.821 13.285 3.198 1.00 3.76 H new ATOM 819 N LYS A 53 -0.849 10.868 -1.017 1.00 0.51 N ATOM 820 CA LYS A 53 -0.185 11.164 -2.281 1.00 0.52 C ATOM 821 C LYS A 53 0.945 10.157 -2.477 1.00 0.52 C ATOM 822 O LYS A 53 1.716 9.934 -1.545 1.00 0.90 O ATOM 823 CB LYS A 53 0.311 12.620 -2.320 1.00 0.73 C ATOM 824 CG LYS A 53 0.842 13.131 -0.973 1.00 1.50 C ATOM 825 CD LYS A 53 1.259 14.601 -1.044 1.00 1.98 C ATOM 826 CE LYS A 53 2.588 14.767 -1.782 1.00 2.72 C ATOM 827 NZ LYS A 53 2.971 16.192 -1.876 1.00 3.39 N ATOM 0 H LYS A 53 -0.249 10.392 -0.343 1.00 0.51 H new ATOM 0 HA LYS A 53 -0.889 11.067 -3.108 1.00 0.52 H new ATOM 0 HB2 LYS A 53 1.100 12.705 -3.067 1.00 0.73 H new ATOM 0 HB3 LYS A 53 -0.506 13.264 -2.645 1.00 0.73 H new ATOM 0 HG2 LYS A 53 0.073 13.008 -0.210 1.00 1.50 H new ATOM 0 HG3 LYS A 53 1.695 12.526 -0.666 1.00 1.50 H new ATOM 0 HD2 LYS A 53 0.485 15.177 -1.551 1.00 1.98 H new ATOM 0 HD3 LYS A 53 1.348 15.005 -0.036 1.00 1.98 H new ATOM 0 HE2 LYS A 53 3.368 14.211 -1.262 1.00 2.72 H new ATOM 0 HE3 LYS A 53 2.507 14.342 -2.783 1.00 2.72 H new ATOM 0 HZ1 LYS A 53 3.876 16.276 -2.381 1.00 3.39 H new ATOM 0 HZ2 LYS A 53 2.236 16.716 -2.393 1.00 3.39 H new ATOM 0 HZ3 LYS A 53 3.070 16.589 -0.920 1.00 3.39 H new ATOM 841 N CYS A 54 1.035 9.528 -3.654 1.00 0.55 N ATOM 842 CA CYS A 54 2.109 8.589 -3.961 1.00 0.58 C ATOM 843 C CYS A 54 3.407 9.410 -3.991 1.00 0.71 C ATOM 844 O CYS A 54 3.456 10.419 -4.697 1.00 0.90 O ATOM 845 CB CYS A 54 1.891 7.950 -5.351 1.00 0.68 C ATOM 846 SG CYS A 54 1.591 6.149 -5.247 1.00 0.85 S ATOM 0 H CYS A 54 0.367 9.657 -4.414 1.00 0.55 H new ATOM 0 HA CYS A 54 2.143 7.790 -3.220 1.00 0.58 H new ATOM 0 HB2 CYS A 54 1.043 8.430 -5.840 1.00 0.68 H new ATOM 0 HB3 CYS A 54 2.765 8.135 -5.975 1.00 0.68 H new ATOM 851 N PRO A 55 4.475 8.977 -3.303 1.00 0.96 N ATOM 852 CA PRO A 55 5.711 9.741 -3.181 1.00 1.32 C ATOM 853 C PRO A 55 6.507 9.802 -4.482 1.00 1.48 C ATOM 854 O PRO A 55 7.438 10.595 -4.584 1.00 2.47 O ATOM 855 CB PRO A 55 6.507 9.036 -2.078 1.00 1.76 C ATOM 856 CG PRO A 55 6.048 7.584 -2.203 1.00 1.69 C ATOM 857 CD PRO A 55 4.571 7.732 -2.561 1.00 1.22 C ATOM 0 HA PRO A 55 5.498 10.783 -2.943 1.00 1.32 H new ATOM 0 HB2 PRO A 55 7.582 9.135 -2.229 1.00 1.76 H new ATOM 0 HB3 PRO A 55 6.285 9.447 -1.093 1.00 1.76 H new ATOM 0 HG2 PRO A 55 6.601 7.049 -2.975 1.00 1.69 H new ATOM 0 HG3 PRO A 55 6.187 7.033 -1.273 1.00 1.69 H new ATOM 0 HD2 PRO A 55 4.226 6.890 -3.161 1.00 1.22 H new ATOM 0 HD3 PRO A 55 3.951 7.760 -1.665 1.00 1.22 H new ATOM 865 N ILE A 56 6.157 8.972 -5.465 1.00 1.35 N ATOM 866 CA ILE A 56 6.867 8.885 -6.730 1.00 1.52 C ATOM 867 C ILE A 56 5.887 9.144 -7.872 1.00 1.48 C ATOM 868 O ILE A 56 6.164 9.950 -8.754 1.00 2.37 O ATOM 869 CB ILE A 56 7.616 7.527 -6.794 1.00 1.88 C ATOM 870 CG1 ILE A 56 9.101 7.754 -6.395 1.00 2.48 C ATOM 871 CG2 ILE A 56 7.500 6.782 -8.138 1.00 2.67 C ATOM 872 CD1 ILE A 56 10.499 7.326 -6.901 1.00 3.18 C ATOM 0 H ILE A 56 5.362 8.336 -5.399 1.00 1.35 H new ATOM 0 HA ILE A 56 7.636 9.651 -6.827 1.00 1.52 H new ATOM 0 HB ILE A 56 7.124 6.862 -6.084 1.00 1.88 H new ATOM 0 HG12 ILE A 56 9.178 8.841 -6.387 1.00 2.48 H new ATOM 0 HG13 ILE A 56 9.117 7.425 -5.356 1.00 2.48 H new ATOM 0 HG21 ILE A 56 8.056 5.846 -8.084 1.00 2.67 H new ATOM 0 HG22 ILE A 56 6.451 6.570 -8.347 1.00 2.67 H new ATOM 0 HG23 ILE A 56 7.911 7.402 -8.935 1.00 2.67 H new ATOM 0 HD11 ILE A 56 11.266 7.760 -6.260 1.00 3.18 H new ATOM 0 HD12 ILE A 56 10.578 6.239 -6.877 1.00 3.18 H new ATOM 0 HD13 ILE A 56 10.639 7.677 -7.923 1.00 3.18 H new ATOM 884 N CYS A 57 4.724 8.490 -7.837 1.00 1.10 N ATOM 885 CA CYS A 57 3.725 8.575 -8.896 1.00 1.08 C ATOM 886 C CYS A 57 3.123 9.987 -8.953 1.00 1.20 C ATOM 887 O CYS A 57 2.590 10.384 -9.985 1.00 2.14 O ATOM 888 CB CYS A 57 2.597 7.564 -8.625 1.00 1.04 C ATOM 889 SG CYS A 57 3.203 6.068 -7.779 1.00 0.96 S ATOM 0 H CYS A 57 4.450 7.882 -7.065 1.00 1.10 H new ATOM 0 HA CYS A 57 4.208 8.351 -9.847 1.00 1.08 H new ATOM 0 HB2 CYS A 57 1.826 8.037 -8.016 1.00 1.04 H new ATOM 0 HB3 CYS A 57 2.130 7.282 -9.568 1.00 1.04 H new ATOM 894 N ARG A 58 3.162 10.726 -7.835 1.00 0.94 N ATOM 895 CA ARG A 58 2.625 12.077 -7.709 1.00 0.97 C ATOM 896 C ARG A 58 1.159 12.132 -8.140 1.00 0.94 C ATOM 897 O ARG A 58 0.760 12.972 -8.943 1.00 1.27 O ATOM 898 CB ARG A 58 3.512 13.059 -8.488 1.00 1.19 C ATOM 899 CG ARG A 58 3.347 14.487 -7.958 1.00 1.49 C ATOM 900 CD ARG A 58 3.957 15.479 -8.950 1.00 1.82 C ATOM 901 NE ARG A 58 4.094 16.818 -8.356 1.00 2.25 N ATOM 902 CZ ARG A 58 4.440 17.924 -9.027 1.00 2.88 C ATOM 903 NH1 ARG A 58 4.617 19.074 -8.373 1.00 3.40 N ATOM 904 NH2 ARG A 58 4.612 17.878 -10.348 1.00 3.31 N ATOM 0 H ARG A 58 3.582 10.384 -6.971 1.00 0.94 H new ATOM 0 HA ARG A 58 2.641 12.377 -6.661 1.00 0.97 H new ATOM 0 HB2 ARG A 58 4.556 12.755 -8.406 1.00 1.19 H new ATOM 0 HB3 ARG A 58 3.253 13.028 -9.546 1.00 1.19 H new ATOM 0 HG2 ARG A 58 2.291 14.710 -7.809 1.00 1.49 H new ATOM 0 HG3 ARG A 58 3.833 14.583 -6.987 1.00 1.49 H new ATOM 0 HD2 ARG A 58 4.935 15.120 -9.271 1.00 1.82 H new ATOM 0 HD3 ARG A 58 3.331 15.537 -9.840 1.00 1.82 H new ATOM 0 HE ARG A 58 3.911 16.911 -7.357 1.00 2.25 H new ATOM 0 HH11 ARG A 58 4.489 19.111 -7.362 1.00 3.40 H new ATOM 0 HH12 ARG A 58 4.881 19.916 -8.884 1.00 3.40 H new ATOM 0 HH21 ARG A 58 4.480 16.999 -10.849 1.00 3.31 H new ATOM 0 HH22 ARG A 58 4.876 18.721 -10.858 1.00 3.31 H new ATOM 918 N VAL A 59 0.350 11.260 -7.546 1.00 0.77 N ATOM 919 CA VAL A 59 -1.087 11.186 -7.748 1.00 0.76 C ATOM 920 C VAL A 59 -1.699 11.130 -6.356 1.00 0.69 C ATOM 921 O VAL A 59 -1.117 10.517 -5.459 1.00 0.68 O ATOM 922 CB VAL A 59 -1.413 9.945 -8.599 1.00 0.79 C ATOM 923 CG1 VAL A 59 -2.873 9.489 -8.481 1.00 0.94 C ATOM 924 CG2 VAL A 59 -1.119 10.237 -10.073 1.00 1.19 C ATOM 0 H VAL A 59 0.693 10.561 -6.887 1.00 0.77 H new ATOM 0 HA VAL A 59 -1.492 12.041 -8.289 1.00 0.76 H new ATOM 0 HB VAL A 59 -0.784 9.142 -8.216 1.00 0.79 H new ATOM 0 HG11 VAL A 59 -3.032 8.611 -9.107 1.00 0.94 H new ATOM 0 HG12 VAL A 59 -3.094 9.240 -7.443 1.00 0.94 H new ATOM 0 HG13 VAL A 59 -3.533 10.292 -8.809 1.00 0.94 H new ATOM 0 HG21 VAL A 59 -1.351 9.356 -10.672 1.00 1.19 H new ATOM 0 HG22 VAL A 59 -1.731 11.075 -10.407 1.00 1.19 H new ATOM 0 HG23 VAL A 59 -0.065 10.488 -10.191 1.00 1.19 H new ATOM 934 N ASP A 60 -2.839 11.791 -6.164 1.00 0.70 N ATOM 935 CA ASP A 60 -3.522 11.785 -4.881 1.00 0.65 C ATOM 936 C ASP A 60 -4.203 10.429 -4.708 1.00 0.64 C ATOM 937 O ASP A 60 -4.804 9.890 -5.636 1.00 0.73 O ATOM 938 CB ASP A 60 -4.515 12.947 -4.782 1.00 0.75 C ATOM 939 CG ASP A 60 -3.796 14.298 -4.735 1.00 1.29 C ATOM 940 OD1 ASP A 60 -4.321 15.246 -5.357 1.00 2.00 O ATOM 941 OD2 ASP A 60 -2.718 14.363 -4.099 1.00 2.43 O ATOM 0 H ASP A 60 -3.307 12.338 -6.886 1.00 0.70 H new ATOM 0 HA ASP A 60 -2.806 11.929 -4.072 1.00 0.65 H new ATOM 0 HB2 ASP A 60 -5.191 12.923 -5.637 1.00 0.75 H new ATOM 0 HB3 ASP A 60 -5.127 12.828 -3.888 1.00 0.75 H new ATOM 946 N ILE A 61 -4.030 9.838 -3.530 1.00 0.60 N ATOM 947 CA ILE A 61 -4.413 8.474 -3.222 1.00 0.61 C ATOM 948 C ILE A 61 -5.854 8.454 -2.743 1.00 0.73 C ATOM 949 O ILE A 61 -6.642 7.596 -3.133 1.00 0.76 O ATOM 950 CB ILE A 61 -3.453 7.962 -2.141 1.00 0.55 C ATOM 951 CG1 ILE A 61 -1.991 8.084 -2.574 1.00 0.55 C ATOM 952 CG2 ILE A 61 -3.745 6.520 -1.770 1.00 0.57 C ATOM 953 CD1 ILE A 61 -1.749 7.604 -3.994 1.00 0.58 C ATOM 0 H ILE A 61 -3.603 10.318 -2.738 1.00 0.60 H new ATOM 0 HA ILE A 61 -4.349 7.830 -4.099 1.00 0.61 H new ATOM 0 HB ILE A 61 -3.615 8.593 -1.267 1.00 0.55 H new ATOM 0 HG12 ILE A 61 -1.679 9.125 -2.491 1.00 0.55 H new ATOM 0 HG13 ILE A 61 -1.367 7.508 -1.891 1.00 0.55 H new ATOM 0 HG21 ILE A 61 -3.044 6.193 -1.002 1.00 0.57 H new ATOM 0 HG22 ILE A 61 -4.763 6.441 -1.390 1.00 0.57 H new ATOM 0 HG23 ILE A 61 -3.637 5.888 -2.652 1.00 0.57 H new ATOM 0 HD11 ILE A 61 -0.693 7.716 -4.241 1.00 0.58 H new ATOM 0 HD12 ILE A 61 -2.031 6.554 -4.076 1.00 0.58 H new ATOM 0 HD13 ILE A 61 -2.349 8.196 -4.685 1.00 0.58 H new ATOM 965 N GLU A 62 -6.188 9.416 -1.887 1.00 0.93 N ATOM 966 CA GLU A 62 -7.565 9.780 -1.652 1.00 0.94 C ATOM 967 C GLU A 62 -8.038 10.375 -2.974 1.00 1.53 C ATOM 968 O GLU A 62 -7.437 11.324 -3.472 1.00 2.32 O ATOM 969 CB GLU A 62 -7.598 10.791 -0.507 1.00 1.74 C ATOM 970 CG GLU A 62 -9.018 11.133 -0.067 1.00 1.95 C ATOM 971 CD GLU A 62 -8.976 12.237 0.988 1.00 3.22 C ATOM 972 OE1 GLU A 62 -8.895 13.423 0.602 1.00 4.14 O ATOM 973 OE2 GLU A 62 -8.889 11.919 2.195 1.00 4.12 O ATOM 0 H GLU A 62 -5.512 9.955 -1.346 1.00 0.93 H new ATOM 0 HA GLU A 62 -8.210 8.951 -1.361 1.00 0.94 H new ATOM 0 HB2 GLU A 62 -7.045 10.390 0.343 1.00 1.74 H new ATOM 0 HB3 GLU A 62 -7.088 11.703 -0.818 1.00 1.74 H new ATOM 0 HG2 GLU A 62 -9.607 11.458 -0.925 1.00 1.95 H new ATOM 0 HG3 GLU A 62 -9.507 10.247 0.338 1.00 1.95 H new ATOM 980 N ALA A 63 -9.060 9.783 -3.585 1.00 2.23 N ATOM 981 CA ALA A 63 -9.389 10.019 -4.979 1.00 3.45 C ATOM 982 C ALA A 63 -10.887 10.222 -4.994 1.00 4.07 C ATOM 983 O ALA A 63 -11.644 9.382 -5.468 1.00 4.91 O ATOM 984 CB ALA A 63 -8.921 8.837 -5.828 1.00 4.27 C ATOM 0 H ALA A 63 -9.684 9.123 -3.121 1.00 2.23 H new ATOM 0 HA ALA A 63 -8.892 10.889 -5.408 1.00 3.45 H new ATOM 0 HB1 ALA A 63 -9.170 9.019 -6.873 1.00 4.27 H new ATOM 0 HB2 ALA A 63 -7.842 8.721 -5.727 1.00 4.27 H new ATOM 0 HB3 ALA A 63 -9.417 7.927 -5.490 1.00 4.27 H new ATOM 990 N GLN A 64 -11.260 11.329 -4.356 1.00 4.08 N ATOM 991 CA GLN A 64 -12.479 11.503 -3.595 1.00 4.46 C ATOM 992 C GLN A 64 -12.330 10.809 -2.245 1.00 4.68 C ATOM 993 O GLN A 64 -12.244 9.589 -2.162 1.00 5.28 O ATOM 994 CB GLN A 64 -13.744 11.054 -4.347 1.00 5.37 C ATOM 995 CG GLN A 64 -15.031 11.551 -3.657 1.00 5.97 C ATOM 996 CD GLN A 64 -15.802 10.484 -2.871 1.00 6.50 C ATOM 997 OE1 GLN A 64 -15.569 9.289 -2.976 1.00 6.77 O ATOM 998 NE2 GLN A 64 -16.770 10.903 -2.066 1.00 7.20 N ATOM 0 H GLN A 64 -10.683 12.170 -4.361 1.00 4.08 H new ATOM 0 HA GLN A 64 -12.624 12.571 -3.436 1.00 4.46 H new ATOM 0 HB2 GLN A 64 -13.712 11.431 -5.369 1.00 5.37 H new ATOM 0 HB3 GLN A 64 -13.762 9.966 -4.409 1.00 5.37 H new ATOM 0 HG2 GLN A 64 -14.770 12.363 -2.978 1.00 5.97 H new ATOM 0 HG3 GLN A 64 -15.692 11.970 -4.415 1.00 5.97 H new ATOM 0 HE21 GLN A 64 -16.964 11.900 -1.978 1.00 7.20 H new ATOM 0 HE22 GLN A 64 -17.320 10.228 -1.535 1.00 7.20 H new ATOM 1007 N LEU A 65 -12.333 11.617 -1.189 1.00 4.88 N ATOM 1008 CA LEU A 65 -13.246 11.473 -0.064 1.00 5.51 C ATOM 1009 C LEU A 65 -13.568 12.926 0.312 1.00 5.76 C ATOM 1010 O LEU A 65 -12.680 13.770 0.233 1.00 6.33 O ATOM 1011 CB LEU A 65 -12.621 10.652 1.078 1.00 6.20 C ATOM 1012 CG LEU A 65 -13.474 9.422 1.437 1.00 7.18 C ATOM 1013 CD1 LEU A 65 -13.468 8.354 0.341 1.00 7.84 C ATOM 1014 CD2 LEU A 65 -12.967 8.792 2.734 1.00 8.24 C ATOM 0 H LEU A 65 -11.690 12.403 -1.091 1.00 4.88 H new ATOM 0 HA LEU A 65 -14.150 10.911 -0.299 1.00 5.51 H new ATOM 0 HB2 LEU A 65 -11.622 10.328 0.787 1.00 6.20 H new ATOM 0 HB3 LEU A 65 -12.507 11.284 1.959 1.00 6.20 H new ATOM 0 HG LEU A 65 -14.497 9.780 1.553 1.00 7.18 H new ATOM 0 HD11 LEU A 65 -14.086 7.511 0.651 1.00 7.84 H new ATOM 0 HD12 LEU A 65 -13.867 8.777 -0.581 1.00 7.84 H new ATOM 0 HD13 LEU A 65 -12.447 8.012 0.172 1.00 7.84 H new ATOM 0 HD21 LEU A 65 -13.577 7.923 2.979 1.00 8.24 H new ATOM 0 HD22 LEU A 65 -11.929 8.483 2.607 1.00 8.24 H new ATOM 0 HD23 LEU A 65 -13.032 9.521 3.542 1.00 8.24 H new ATOM 1026 N PRO A 66 -14.830 13.292 0.568 1.00 6.07 N ATOM 1027 CA PRO A 66 -15.953 12.436 0.911 1.00 6.60 C ATOM 1028 C PRO A 66 -15.849 11.790 2.281 1.00 6.72 C ATOM 1029 O PRO A 66 -16.609 10.879 2.592 1.00 7.17 O ATOM 1030 CB PRO A 66 -17.184 13.352 0.892 1.00 7.48 C ATOM 1031 CG PRO A 66 -16.766 14.506 -0.013 1.00 7.69 C ATOM 1032 CD PRO A 66 -15.285 14.648 0.324 1.00 6.80 C ATOM 0 HA PRO A 66 -15.995 11.610 0.201 1.00 6.60 H new ATOM 0 HB2 PRO A 66 -18.061 12.835 0.502 1.00 7.48 H new ATOM 0 HB3 PRO A 66 -17.438 13.701 1.893 1.00 7.48 H new ATOM 0 HG2 PRO A 66 -16.925 14.277 -1.067 1.00 7.69 H new ATOM 0 HG3 PRO A 66 -17.323 15.417 0.203 1.00 7.69 H new ATOM 0 HD2 PRO A 66 -14.735 15.108 -0.497 1.00 6.80 H new ATOM 0 HD3 PRO A 66 -15.137 15.279 1.201 1.00 6.80 H new ATOM 1040 N SER A 67 -14.978 12.322 3.127 1.00 6.87 N ATOM 1041 CA SER A 67 -15.325 12.431 4.517 1.00 7.43 C ATOM 1042 C SER A 67 -15.008 13.878 4.845 1.00 7.68 C ATOM 1043 O SER A 67 -15.379 14.770 4.086 1.00 8.01 O ATOM 1044 CB SER A 67 -14.634 11.357 5.371 1.00 7.91 C ATOM 1045 OG SER A 67 -15.298 11.173 6.614 1.00 8.57 O ATOM 0 H SER A 67 -14.054 12.673 2.876 1.00 6.87 H new ATOM 0 HA SER A 67 -16.371 12.223 4.744 1.00 7.43 H new ATOM 0 HB2 SER A 67 -14.614 10.414 4.825 1.00 7.91 H new ATOM 0 HB3 SER A 67 -13.598 11.644 5.550 1.00 7.91 H new ATOM 0 HG SER A 67 -15.143 11.953 7.186 1.00 8.57 H new ATOM 1051 N GLU A 68 -14.378 14.105 5.981 1.00 8.04 N ATOM 1052 CA GLU A 68 -14.918 14.973 7.006 1.00 8.63 C ATOM 1053 C GLU A 68 -14.456 14.280 8.265 1.00 9.04 C ATOM 1054 O GLU A 68 -15.111 13.360 8.751 1.00 9.71 O ATOM 1055 CB GLU A 68 -16.460 15.093 6.963 1.00 9.04 C ATOM 1056 CG GLU A 68 -16.911 16.435 6.381 1.00 9.76 C ATOM 1057 CD GLU A 68 -16.815 17.536 7.439 1.00 10.47 C ATOM 1058 OE1 GLU A 68 -15.735 17.630 8.065 1.00 10.77 O ATOM 1059 OE2 GLU A 68 -17.825 18.251 7.619 1.00 11.05 O ATOM 0 H GLU A 68 -13.476 13.692 6.218 1.00 8.04 H new ATOM 0 HA GLU A 68 -14.584 16.005 6.903 1.00 8.63 H new ATOM 0 HB2 GLU A 68 -16.871 14.281 6.364 1.00 9.04 H new ATOM 0 HB3 GLU A 68 -16.861 14.981 7.970 1.00 9.04 H new ATOM 0 HG2 GLU A 68 -16.291 16.693 5.522 1.00 9.76 H new ATOM 0 HG3 GLU A 68 -17.937 16.356 6.022 1.00 9.76 H new ATOM 1066 N SER A 69 -13.224 14.581 8.644 1.00 8.99 N ATOM 1067 CA SER A 69 -13.030 15.608 9.652 1.00 9.56 C ATOM 1068 C SER A 69 -11.536 15.887 9.698 1.00 9.93 C ATOM 1069 O SER A 69 -10.994 16.111 8.594 1.00 10.06 O ATOM 1070 CB SER A 69 -13.640 15.205 11.004 1.00 10.11 C ATOM 1071 OG SER A 69 -12.983 14.084 11.556 1.00 10.54 O ATOM 1072 OXT SER A 69 -10.963 15.775 10.805 1.00 10.39 O ATOM 0 H SER A 69 -12.373 14.147 8.285 1.00 8.99 H new ATOM 0 HA SER A 69 -13.559 16.527 9.400 1.00 9.56 H new ATOM 0 HB2 SER A 69 -13.576 16.043 11.698 1.00 10.11 H new ATOM 0 HB3 SER A 69 -14.698 14.980 10.874 1.00 10.11 H new ATOM 0 HG SER A 69 -12.029 14.283 11.663 1.00 10.54 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.789 -4.307 6.912 1.00 0.72 ZN HETATM 1080 ZN ZN A 102 1.735 4.711 -6.960 1.00 0.65 ZN