USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc=-0.00235 (180deg=-0.206) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00379 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 0.773 (180deg=-1.34!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 22 SER OG : rot -73:sc= 0.705 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0951 K(o=-0.095,f=-1.7!) USER MOD Single : A 46 GLN : amide:sc= 0.259 X(o=0.26,f=-0.064) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0562 K(o=-0.056,f=-6.6!) USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= 1.6 (180deg=1.05) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.15 (180deg=-0.795) USER MOD Single : A 64 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 35:sc= 0.836 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.377 -27.605 7.242 1.00 16.57 N ATOM 2 CA MET A 1 28.749 -28.141 7.133 1.00 16.99 C ATOM 3 C MET A 1 29.155 -28.223 5.661 1.00 16.64 C ATOM 4 O MET A 1 29.331 -29.315 5.133 1.00 16.74 O ATOM 5 CB MET A 1 28.842 -29.524 7.800 1.00 17.11 C ATOM 6 CG MET A 1 28.717 -29.454 9.325 1.00 17.92 C ATOM 7 SD MET A 1 28.517 -31.086 10.084 1.00 18.18 S ATOM 8 CE MET A 1 28.751 -30.658 11.829 1.00 19.71 C ATOM 0 H1 MET A 1 27.207 -27.281 8.216 1.00 16.57 H new ATOM 0 H2 MET A 1 27.263 -26.806 6.586 1.00 16.57 H new ATOM 0 H3 MET A 1 26.693 -28.350 7.001 1.00 16.57 H new ATOM 0 HA MET A 1 29.435 -27.470 7.651 1.00 16.99 H new ATOM 0 HB2 MET A 1 28.056 -30.167 7.404 1.00 17.11 H new ATOM 0 HB3 MET A 1 29.794 -29.986 7.538 1.00 17.11 H new ATOM 0 HG2 MET A 1 29.604 -28.972 9.737 1.00 17.92 H new ATOM 0 HG3 MET A 1 27.864 -28.828 9.587 1.00 17.92 H new ATOM 0 HE1 MET A 1 28.659 -31.556 12.439 1.00 19.71 H new ATOM 0 HE2 MET A 1 29.742 -30.225 11.968 1.00 19.71 H new ATOM 0 HE3 MET A 1 27.993 -29.935 12.131 1.00 19.71 H new ATOM 20 N LYS A 2 29.265 -27.081 4.973 1.00 16.45 N ATOM 21 CA LYS A 2 29.736 -27.019 3.591 1.00 16.43 C ATOM 22 C LYS A 2 30.051 -25.555 3.274 1.00 16.52 C ATOM 23 O LYS A 2 29.834 -24.702 4.132 1.00 16.86 O ATOM 24 CB LYS A 2 28.677 -27.598 2.630 1.00 15.99 C ATOM 25 CG LYS A 2 29.352 -28.366 1.485 1.00 16.51 C ATOM 26 CD LYS A 2 28.316 -29.092 0.625 1.00 16.30 C ATOM 27 CE LYS A 2 29.050 -29.834 -0.495 1.00 17.06 C ATOM 28 NZ LYS A 2 28.111 -30.545 -1.387 1.00 16.97 N ATOM 0 H LYS A 2 29.027 -26.170 5.365 1.00 16.45 H new ATOM 0 HA LYS A 2 30.635 -27.622 3.461 1.00 16.43 H new ATOM 0 HB2 LYS A 2 28.007 -28.262 3.176 1.00 15.99 H new ATOM 0 HB3 LYS A 2 28.066 -26.792 2.224 1.00 15.99 H new ATOM 0 HG2 LYS A 2 29.923 -27.674 0.866 1.00 16.51 H new ATOM 0 HG3 LYS A 2 30.060 -29.087 1.894 1.00 16.51 H new ATOM 0 HD2 LYS A 2 27.744 -29.793 1.232 1.00 16.30 H new ATOM 0 HD3 LYS A 2 27.605 -28.380 0.206 1.00 16.30 H new ATOM 0 HE2 LYS A 2 29.638 -29.124 -1.077 1.00 17.06 H new ATOM 0 HE3 LYS A 2 29.750 -30.548 -0.061 1.00 17.06 H new ATOM 0 HZ1 LYS A 2 28.645 -31.036 -2.133 1.00 16.97 H new ATOM 0 HZ2 LYS A 2 27.568 -31.240 -0.836 1.00 16.97 H new ATOM 0 HZ3 LYS A 2 27.459 -29.861 -1.821 1.00 16.97 H new ATOM 42 N GLN A 3 30.531 -25.256 2.066 1.00 16.43 N ATOM 43 CA GLN A 3 30.850 -23.900 1.642 1.00 16.61 C ATOM 44 C GLN A 3 30.300 -23.703 0.241 1.00 16.02 C ATOM 45 O GLN A 3 31.021 -23.388 -0.698 1.00 16.86 O ATOM 46 CB GLN A 3 32.369 -23.680 1.777 1.00 17.75 C ATOM 47 CG GLN A 3 32.871 -22.287 1.372 1.00 18.34 C ATOM 48 CD GLN A 3 32.020 -21.178 1.976 1.00 18.45 C ATOM 49 OE1 GLN A 3 32.155 -20.839 3.144 1.00 19.15 O ATOM 50 NE2 GLN A 3 31.111 -20.610 1.195 1.00 18.01 N ATOM 0 H GLN A 3 30.710 -25.960 1.349 1.00 16.43 H new ATOM 0 HA GLN A 3 30.384 -23.140 2.269 1.00 16.61 H new ATOM 0 HB2 GLN A 3 32.655 -23.864 2.813 1.00 17.75 H new ATOM 0 HB3 GLN A 3 32.882 -24.424 1.168 1.00 17.75 H new ATOM 0 HG2 GLN A 3 33.906 -22.166 1.693 1.00 18.34 H new ATOM 0 HG3 GLN A 3 32.863 -22.200 0.286 1.00 18.34 H new ATOM 0 HE21 GLN A 3 31.015 -20.908 0.224 1.00 18.01 H new ATOM 0 HE22 GLN A 3 30.508 -19.876 1.565 1.00 18.01 H new ATOM 59 N ASP A 4 28.981 -23.832 0.142 1.00 14.76 N ATOM 60 CA ASP A 4 28.206 -23.546 -1.045 1.00 14.10 C ATOM 61 C ASP A 4 26.963 -22.845 -0.523 1.00 13.16 C ATOM 62 O ASP A 4 26.414 -23.256 0.501 1.00 12.90 O ATOM 63 CB ASP A 4 27.806 -24.836 -1.774 1.00 13.71 C ATOM 64 CG ASP A 4 28.970 -25.501 -2.504 1.00 14.61 C ATOM 65 OD1 ASP A 4 29.311 -26.643 -2.110 1.00 15.12 O ATOM 66 OD2 ASP A 4 29.471 -24.869 -3.461 1.00 15.00 O ATOM 0 H ASP A 4 28.406 -24.152 0.922 1.00 14.76 H new ATOM 0 HA ASP A 4 28.769 -22.947 -1.761 1.00 14.10 H new ATOM 0 HB2 ASP A 4 27.389 -25.539 -1.053 1.00 13.71 H new ATOM 0 HB3 ASP A 4 27.017 -24.610 -2.492 1.00 13.71 H new ATOM 71 N GLY A 5 26.538 -21.786 -1.200 1.00 12.91 N ATOM 72 CA GLY A 5 25.272 -21.121 -0.940 1.00 11.99 C ATOM 73 C GLY A 5 24.398 -21.200 -2.189 1.00 11.27 C ATOM 74 O GLY A 5 24.919 -21.218 -3.301 1.00 11.93 O ATOM 0 H GLY A 5 27.073 -21.360 -1.957 1.00 12.91 H new ATOM 0 HA2 GLY A 5 24.766 -21.592 -0.097 1.00 11.99 H new ATOM 0 HA3 GLY A 5 25.444 -20.080 -0.667 1.00 11.99 H new ATOM 78 N GLU A 6 23.078 -21.227 -2.007 1.00 10.16 N ATOM 79 CA GLU A 6 22.085 -21.274 -3.068 1.00 9.49 C ATOM 80 C GLU A 6 20.886 -20.452 -2.602 1.00 8.56 C ATOM 81 O GLU A 6 20.775 -20.134 -1.418 1.00 8.56 O ATOM 82 CB GLU A 6 21.653 -22.725 -3.348 1.00 9.36 C ATOM 83 CG GLU A 6 22.444 -23.340 -4.504 1.00 10.65 C ATOM 84 CD GLU A 6 21.857 -24.697 -4.899 1.00 10.96 C ATOM 85 OE1 GLU A 6 22.385 -25.722 -4.413 1.00 11.62 O ATOM 86 OE2 GLU A 6 20.878 -24.690 -5.678 1.00 10.87 O ATOM 0 H GLU A 6 22.659 -21.216 -1.077 1.00 10.16 H new ATOM 0 HA GLU A 6 22.500 -20.871 -3.992 1.00 9.49 H new ATOM 0 HB2 GLU A 6 21.795 -23.326 -2.450 1.00 9.36 H new ATOM 0 HB3 GLU A 6 20.589 -22.749 -3.583 1.00 9.36 H new ATOM 0 HG2 GLU A 6 22.427 -22.667 -5.361 1.00 10.65 H new ATOM 0 HG3 GLU A 6 23.488 -23.460 -4.214 1.00 10.65 H new ATOM 93 N GLU A 7 19.983 -20.122 -3.523 1.00 8.02 N ATOM 94 CA GLU A 7 18.765 -19.387 -3.225 1.00 7.21 C ATOM 95 C GLU A 7 17.702 -19.796 -4.251 1.00 6.54 C ATOM 96 O GLU A 7 18.018 -20.500 -5.210 1.00 7.06 O ATOM 97 CB GLU A 7 19.066 -17.878 -3.246 1.00 7.54 C ATOM 98 CG GLU A 7 18.105 -17.110 -2.328 1.00 7.68 C ATOM 99 CD GLU A 7 18.471 -15.632 -2.163 1.00 8.75 C ATOM 100 OE1 GLU A 7 17.585 -14.892 -1.683 1.00 9.52 O ATOM 101 OE2 GLU A 7 19.619 -15.262 -2.492 1.00 9.21 O ATOM 0 H GLU A 7 20.082 -20.363 -4.509 1.00 8.02 H new ATOM 0 HA GLU A 7 18.384 -19.620 -2.231 1.00 7.21 H new ATOM 0 HB2 GLU A 7 20.094 -17.705 -2.928 1.00 7.54 H new ATOM 0 HB3 GLU A 7 18.980 -17.501 -4.265 1.00 7.54 H new ATOM 0 HG2 GLU A 7 17.094 -17.184 -2.730 1.00 7.68 H new ATOM 0 HG3 GLU A 7 18.094 -17.585 -1.347 1.00 7.68 H new ATOM 108 N GLY A 8 16.446 -19.389 -4.050 1.00 5.78 N ATOM 109 CA GLY A 8 15.354 -19.706 -4.958 1.00 5.37 C ATOM 110 C GLY A 8 15.121 -18.558 -5.935 1.00 4.77 C ATOM 111 O GLY A 8 16.066 -17.985 -6.470 1.00 5.31 O ATOM 0 H GLY A 8 16.162 -18.828 -3.247 1.00 5.78 H new ATOM 0 HA2 GLY A 8 15.584 -20.618 -5.508 1.00 5.37 H new ATOM 0 HA3 GLY A 8 14.444 -19.897 -4.389 1.00 5.37 H new ATOM 115 N THR A 9 13.856 -18.228 -6.201 1.00 4.14 N ATOM 116 CA THR A 9 13.496 -17.151 -7.109 1.00 3.91 C ATOM 117 C THR A 9 12.070 -16.697 -6.780 1.00 3.35 C ATOM 118 O THR A 9 11.490 -17.174 -5.806 1.00 3.60 O ATOM 119 CB THR A 9 13.679 -17.633 -8.561 1.00 4.84 C ATOM 120 OG1 THR A 9 13.496 -16.566 -9.467 1.00 5.21 O ATOM 121 CG2 THR A 9 12.726 -18.773 -8.924 1.00 5.31 C ATOM 0 H THR A 9 13.054 -18.705 -5.789 1.00 4.14 H new ATOM 0 HA THR A 9 14.143 -16.282 -6.991 1.00 3.91 H new ATOM 0 HB THR A 9 14.699 -18.011 -8.635 1.00 4.84 H new ATOM 0 HG1 THR A 9 13.618 -16.891 -10.384 1.00 5.21 H new ATOM 0 HG21 THR A 9 12.897 -19.075 -9.957 1.00 5.31 H new ATOM 0 HG22 THR A 9 12.906 -19.622 -8.264 1.00 5.31 H new ATOM 0 HG23 THR A 9 11.696 -18.436 -8.810 1.00 5.31 H new ATOM 129 N GLU A 10 11.508 -15.811 -7.607 1.00 3.36 N ATOM 130 CA GLU A 10 10.110 -15.393 -7.592 1.00 3.34 C ATOM 131 C GLU A 10 9.811 -14.457 -6.419 1.00 2.65 C ATOM 132 O GLU A 10 8.868 -14.667 -5.657 1.00 3.10 O ATOM 133 CB GLU A 10 9.177 -16.620 -7.651 1.00 4.44 C ATOM 134 CG GLU A 10 7.874 -16.307 -8.395 1.00 5.18 C ATOM 135 CD GLU A 10 8.084 -16.368 -9.911 1.00 5.88 C ATOM 136 OE1 GLU A 10 7.478 -17.263 -10.543 1.00 6.86 O ATOM 137 OE2 GLU A 10 8.880 -15.546 -10.419 1.00 5.94 O ATOM 0 H GLU A 10 12.044 -15.345 -8.339 1.00 3.36 H new ATOM 0 HA GLU A 10 9.913 -14.806 -8.489 1.00 3.34 H new ATOM 0 HB2 GLU A 10 9.690 -17.444 -8.147 1.00 4.44 H new ATOM 0 HB3 GLU A 10 8.947 -16.951 -6.638 1.00 4.44 H new ATOM 0 HG2 GLU A 10 7.103 -17.019 -8.101 1.00 5.18 H new ATOM 0 HG3 GLU A 10 7.518 -15.316 -8.112 1.00 5.18 H new ATOM 144 N GLU A 11 10.589 -13.380 -6.278 1.00 2.35 N ATOM 145 CA GLU A 11 10.291 -12.361 -5.286 1.00 1.85 C ATOM 146 C GLU A 11 10.721 -10.993 -5.819 1.00 1.92 C ATOM 147 O GLU A 11 11.908 -10.737 -5.987 1.00 2.64 O ATOM 148 CB GLU A 11 10.921 -12.752 -3.934 1.00 2.18 C ATOM 149 CG GLU A 11 12.452 -12.604 -3.814 1.00 3.57 C ATOM 150 CD GLU A 11 12.907 -11.233 -3.291 1.00 4.00 C ATOM 151 OE1 GLU A 11 12.037 -10.472 -2.800 1.00 4.07 O ATOM 152 OE2 GLU A 11 14.130 -10.976 -3.296 1.00 5.09 O ATOM 0 H GLU A 11 11.423 -13.198 -6.837 1.00 2.35 H new ATOM 0 HA GLU A 11 9.219 -12.288 -5.101 1.00 1.85 H new ATOM 0 HB2 GLU A 11 10.459 -12.146 -3.155 1.00 2.18 H new ATOM 0 HB3 GLU A 11 10.662 -13.790 -3.726 1.00 2.18 H new ATOM 0 HG2 GLU A 11 12.831 -13.380 -3.148 1.00 3.57 H new ATOM 0 HG3 GLU A 11 12.901 -12.776 -4.792 1.00 3.57 H new ATOM 159 N ASP A 12 9.758 -10.122 -6.133 1.00 1.54 N ATOM 160 CA ASP A 12 10.005 -8.717 -6.435 1.00 1.62 C ATOM 161 C ASP A 12 8.672 -7.989 -6.286 1.00 1.52 C ATOM 162 O ASP A 12 7.734 -8.322 -7.000 1.00 1.79 O ATOM 163 CB ASP A 12 10.543 -8.523 -7.858 1.00 1.93 C ATOM 164 CG ASP A 12 10.846 -7.045 -8.091 1.00 2.22 C ATOM 165 OD1 ASP A 12 10.688 -6.588 -9.244 1.00 3.02 O ATOM 166 OD2 ASP A 12 11.240 -6.393 -7.097 1.00 2.82 O ATOM 0 H ASP A 12 8.773 -10.381 -6.184 1.00 1.54 H new ATOM 0 HA ASP A 12 10.761 -8.324 -5.755 1.00 1.62 H new ATOM 0 HB2 ASP A 12 11.446 -9.117 -8.001 1.00 1.93 H new ATOM 0 HB3 ASP A 12 9.812 -8.874 -8.586 1.00 1.93 H new ATOM 171 N THR A 13 8.558 -7.080 -5.312 1.00 1.47 N ATOM 172 CA THR A 13 7.367 -6.283 -4.979 1.00 1.41 C ATOM 173 C THR A 13 6.019 -7.003 -5.205 1.00 1.35 C ATOM 174 O THR A 13 5.035 -6.377 -5.582 1.00 1.43 O ATOM 175 CB THR A 13 7.493 -4.942 -5.728 1.00 1.51 C ATOM 176 OG1 THR A 13 8.786 -4.428 -5.474 1.00 2.25 O ATOM 177 CG2 THR A 13 6.519 -3.843 -5.285 1.00 1.87 C ATOM 0 H THR A 13 9.342 -6.866 -4.696 1.00 1.47 H new ATOM 0 HA THR A 13 7.344 -6.110 -3.903 1.00 1.41 H new ATOM 0 HB THR A 13 7.277 -5.171 -6.772 1.00 1.51 H new ATOM 0 HG1 THR A 13 8.896 -3.573 -5.941 1.00 2.25 H new ATOM 0 HG21 THR A 13 6.693 -2.943 -5.875 1.00 1.87 H new ATOM 0 HG22 THR A 13 5.494 -4.183 -5.435 1.00 1.87 H new ATOM 0 HG23 THR A 13 6.677 -3.621 -4.230 1.00 1.87 H new ATOM 185 N GLU A 14 5.946 -8.309 -4.924 1.00 1.29 N ATOM 186 CA GLU A 14 4.808 -9.128 -5.330 1.00 1.24 C ATOM 187 C GLU A 14 3.614 -8.864 -4.405 1.00 0.99 C ATOM 188 O GLU A 14 2.634 -8.235 -4.797 1.00 1.14 O ATOM 189 CB GLU A 14 5.242 -10.605 -5.344 1.00 1.33 C ATOM 190 CG GLU A 14 4.283 -11.487 -6.149 1.00 1.56 C ATOM 191 CD GLU A 14 4.400 -11.208 -7.648 1.00 1.65 C ATOM 192 OE1 GLU A 14 5.339 -11.761 -8.262 1.00 2.60 O ATOM 193 OE2 GLU A 14 3.561 -10.430 -8.155 1.00 2.56 O ATOM 0 H GLU A 14 6.667 -8.819 -4.414 1.00 1.29 H new ATOM 0 HA GLU A 14 4.482 -8.867 -6.337 1.00 1.24 H new ATOM 0 HB2 GLU A 14 6.244 -10.683 -5.766 1.00 1.33 H new ATOM 0 HB3 GLU A 14 5.298 -10.974 -4.320 1.00 1.33 H new ATOM 0 HG2 GLU A 14 4.500 -12.537 -5.954 1.00 1.56 H new ATOM 0 HG3 GLU A 14 3.259 -11.308 -5.822 1.00 1.56 H new ATOM 200 N GLU A 15 3.697 -9.305 -3.147 1.00 0.79 N ATOM 201 CA GLU A 15 2.649 -9.070 -2.161 1.00 0.63 C ATOM 202 C GLU A 15 3.301 -8.789 -0.806 1.00 0.54 C ATOM 203 O GLU A 15 3.095 -9.486 0.189 1.00 0.58 O ATOM 204 CB GLU A 15 1.628 -10.222 -2.155 1.00 0.67 C ATOM 205 CG GLU A 15 2.199 -11.622 -1.897 1.00 2.29 C ATOM 206 CD GLU A 15 1.060 -12.633 -1.738 1.00 2.65 C ATOM 207 OE1 GLU A 15 0.442 -12.644 -0.647 1.00 3.47 O ATOM 208 OE2 GLU A 15 0.809 -13.383 -2.704 1.00 3.29 O ATOM 0 H GLU A 15 4.492 -9.833 -2.788 1.00 0.79 H new ATOM 0 HA GLU A 15 2.064 -8.188 -2.420 1.00 0.63 H new ATOM 0 HB2 GLU A 15 0.876 -10.011 -1.394 1.00 0.67 H new ATOM 0 HB3 GLU A 15 1.115 -10.232 -3.116 1.00 0.67 H new ATOM 0 HG2 GLU A 15 2.846 -11.918 -2.723 1.00 2.29 H new ATOM 0 HG3 GLU A 15 2.815 -11.612 -0.998 1.00 2.29 H new ATOM 215 N LYS A 16 4.127 -7.738 -0.770 1.00 0.61 N ATOM 216 CA LYS A 16 4.922 -7.408 0.403 1.00 0.60 C ATOM 217 C LYS A 16 4.481 -6.049 0.932 1.00 0.56 C ATOM 218 O LYS A 16 4.572 -5.044 0.232 1.00 0.61 O ATOM 219 CB LYS A 16 6.424 -7.494 0.077 1.00 0.77 C ATOM 220 CG LYS A 16 6.750 -8.896 -0.469 1.00 0.89 C ATOM 221 CD LYS A 16 8.219 -9.319 -0.331 1.00 1.24 C ATOM 222 CE LYS A 16 9.090 -8.708 -1.422 1.00 1.47 C ATOM 223 NZ LYS A 16 10.489 -9.172 -1.321 1.00 1.84 N ATOM 0 H LYS A 16 4.258 -7.098 -1.553 1.00 0.61 H new ATOM 0 HA LYS A 16 4.756 -8.132 1.200 1.00 0.60 H new ATOM 0 HB2 LYS A 16 6.692 -6.734 -0.657 1.00 0.77 H new ATOM 0 HB3 LYS A 16 7.013 -7.294 0.972 1.00 0.77 H new ATOM 0 HG2 LYS A 16 6.127 -9.625 0.049 1.00 0.89 H new ATOM 0 HG3 LYS A 16 6.474 -8.932 -1.523 1.00 0.89 H new ATOM 0 HD2 LYS A 16 8.594 -9.015 0.646 1.00 1.24 H new ATOM 0 HD3 LYS A 16 8.290 -10.406 -0.376 1.00 1.24 H new ATOM 0 HE2 LYS A 16 8.688 -8.971 -2.400 1.00 1.47 H new ATOM 0 HE3 LYS A 16 9.060 -7.621 -1.347 1.00 1.47 H new ATOM 0 HZ1 LYS A 16 11.129 -8.353 -1.348 1.00 1.84 H new ATOM 0 HZ2 LYS A 16 10.621 -9.685 -0.426 1.00 1.84 H new ATOM 0 HZ3 LYS A 16 10.703 -9.805 -2.118 1.00 1.84 H new ATOM 237 N CYS A 17 3.965 -6.043 2.160 1.00 0.53 N ATOM 238 CA CYS A 17 3.495 -4.879 2.887 1.00 0.54 C ATOM 239 C CYS A 17 4.711 -4.005 3.196 1.00 0.52 C ATOM 240 O CYS A 17 5.468 -4.276 4.129 1.00 0.56 O ATOM 241 CB CYS A 17 2.841 -5.386 4.189 1.00 0.61 C ATOM 242 SG CYS A 17 1.639 -4.224 4.877 1.00 0.86 S ATOM 0 H CYS A 17 3.861 -6.902 2.699 1.00 0.53 H new ATOM 0 HA CYS A 17 2.770 -4.296 2.319 1.00 0.54 H new ATOM 0 HB2 CYS A 17 2.347 -6.338 3.994 1.00 0.61 H new ATOM 0 HB3 CYS A 17 3.618 -5.576 4.929 1.00 0.61 H new ATOM 247 N THR A 18 4.897 -2.922 2.440 1.00 0.54 N ATOM 248 CA THR A 18 6.017 -2.012 2.643 1.00 0.57 C ATOM 249 C THR A 18 5.555 -0.817 3.483 1.00 0.54 C ATOM 250 O THR A 18 6.054 0.306 3.360 1.00 0.82 O ATOM 251 CB THR A 18 6.598 -1.648 1.273 1.00 0.82 C ATOM 252 OG1 THR A 18 5.547 -1.363 0.375 1.00 1.22 O ATOM 253 CG2 THR A 18 7.393 -2.835 0.716 1.00 1.10 C ATOM 0 H THR A 18 4.278 -2.655 1.675 1.00 0.54 H new ATOM 0 HA THR A 18 6.826 -2.472 3.211 1.00 0.57 H new ATOM 0 HB THR A 18 7.247 -0.780 1.386 1.00 0.82 H new ATOM 0 HG1 THR A 18 5.919 -1.129 -0.501 1.00 1.22 H new ATOM 0 HG21 THR A 18 7.805 -2.572 -0.258 1.00 1.10 H new ATOM 0 HG22 THR A 18 8.206 -3.081 1.399 1.00 1.10 H new ATOM 0 HG23 THR A 18 6.734 -3.697 0.611 1.00 1.10 H new ATOM 261 N ILE A 19 4.613 -1.089 4.390 1.00 0.51 N ATOM 262 CA ILE A 19 4.192 -0.204 5.452 1.00 0.54 C ATOM 263 C ILE A 19 4.509 -0.905 6.766 1.00 0.61 C ATOM 264 O ILE A 19 5.412 -0.503 7.490 1.00 0.75 O ATOM 265 CB ILE A 19 2.708 0.119 5.325 1.00 0.49 C ATOM 266 CG1 ILE A 19 2.493 0.526 3.858 1.00 0.51 C ATOM 267 CG2 ILE A 19 2.394 1.127 6.436 1.00 0.59 C ATOM 268 CD1 ILE A 19 1.206 1.245 3.569 1.00 0.65 C ATOM 0 H ILE A 19 4.107 -1.975 4.394 1.00 0.51 H new ATOM 0 HA ILE A 19 4.717 0.750 5.402 1.00 0.54 H new ATOM 0 HB ILE A 19 1.994 -0.688 5.491 1.00 0.49 H new ATOM 0 HG12 ILE A 19 3.322 1.163 3.551 1.00 0.51 H new ATOM 0 HG13 ILE A 19 2.535 -0.371 3.240 1.00 0.51 H new ATOM 0 HG21 ILE A 19 1.339 1.397 6.395 1.00 0.59 H new ATOM 0 HG22 ILE A 19 2.617 0.681 7.405 1.00 0.59 H new ATOM 0 HG23 ILE A 19 3.003 2.021 6.299 1.00 0.59 H new ATOM 0 HD11 ILE A 19 1.154 1.486 2.507 1.00 0.65 H new ATOM 0 HD12 ILE A 19 0.364 0.607 3.837 1.00 0.65 H new ATOM 0 HD13 ILE A 19 1.164 2.165 4.152 1.00 0.65 H new ATOM 280 N CYS A 20 3.803 -2.011 7.011 1.00 0.62 N ATOM 281 CA CYS A 20 3.920 -2.846 8.195 1.00 0.80 C ATOM 282 C CYS A 20 5.114 -3.809 8.062 1.00 0.86 C ATOM 283 O CYS A 20 5.243 -4.725 8.871 1.00 1.04 O ATOM 284 CB CYS A 20 2.591 -3.618 8.433 1.00 0.94 C ATOM 285 SG CYS A 20 1.343 -3.469 7.103 1.00 1.60 S ATOM 0 H CYS A 20 3.104 -2.360 6.355 1.00 0.62 H new ATOM 0 HA CYS A 20 4.105 -2.212 9.062 1.00 0.80 H new ATOM 0 HB2 CYS A 20 2.824 -4.674 8.571 1.00 0.94 H new ATOM 0 HB3 CYS A 20 2.148 -3.265 9.364 1.00 0.94 H new ATOM 290 N LEU A 21 5.993 -3.604 7.070 1.00 0.82 N ATOM 291 CA LEU A 21 7.264 -4.298 6.878 1.00 0.94 C ATOM 292 C LEU A 21 7.133 -5.807 7.088 1.00 1.01 C ATOM 293 O LEU A 21 7.837 -6.408 7.896 1.00 1.21 O ATOM 294 CB LEU A 21 8.335 -3.654 7.776 1.00 1.10 C ATOM 295 CG LEU A 21 8.705 -2.239 7.304 1.00 1.14 C ATOM 296 CD1 LEU A 21 9.344 -1.447 8.446 1.00 1.37 C ATOM 297 CD2 LEU A 21 9.686 -2.297 6.127 1.00 1.61 C ATOM 0 H LEU A 21 5.822 -2.910 6.343 1.00 0.82 H new ATOM 0 HA LEU A 21 7.580 -4.185 5.841 1.00 0.94 H new ATOM 0 HB2 LEU A 21 7.970 -3.610 8.802 1.00 1.10 H new ATOM 0 HB3 LEU A 21 9.228 -4.280 7.782 1.00 1.10 H new ATOM 0 HG LEU A 21 7.788 -1.744 6.983 1.00 1.14 H new ATOM 0 HD11 LEU A 21 9.601 -0.447 8.096 1.00 1.37 H new ATOM 0 HD12 LEU A 21 8.640 -1.372 9.275 1.00 1.37 H new ATOM 0 HD13 LEU A 21 10.247 -1.957 8.782 1.00 1.37 H new ATOM 0 HD21 LEU A 21 9.934 -1.284 5.810 1.00 1.61 H new ATOM 0 HD22 LEU A 21 10.595 -2.813 6.436 1.00 1.61 H new ATOM 0 HD23 LEU A 21 9.228 -2.835 5.297 1.00 1.61 H new ATOM 309 N SER A 22 6.234 -6.431 6.330 1.00 0.89 N ATOM 310 CA SER A 22 6.004 -7.866 6.386 1.00 0.97 C ATOM 311 C SER A 22 5.424 -8.330 5.064 1.00 0.81 C ATOM 312 O SER A 22 4.843 -7.548 4.322 1.00 0.69 O ATOM 313 CB SER A 22 5.061 -8.209 7.546 1.00 1.11 C ATOM 314 OG SER A 22 4.123 -7.174 7.778 1.00 1.31 O ATOM 0 H SER A 22 5.642 -5.947 5.655 1.00 0.89 H new ATOM 0 HA SER A 22 6.949 -8.381 6.559 1.00 0.97 H new ATOM 0 HB2 SER A 22 4.533 -9.137 7.325 1.00 1.11 H new ATOM 0 HB3 SER A 22 5.644 -8.382 8.451 1.00 1.11 H new ATOM 0 HG SER A 22 4.572 -6.415 8.205 1.00 1.31 H new ATOM 320 N ILE A 23 5.601 -9.602 4.738 1.00 0.87 N ATOM 321 CA ILE A 23 4.964 -10.195 3.586 1.00 0.79 C ATOM 322 C ILE A 23 3.596 -10.706 4.032 1.00 0.79 C ATOM 323 O ILE A 23 3.355 -10.875 5.226 1.00 0.87 O ATOM 324 CB ILE A 23 5.900 -11.271 3.024 1.00 0.87 C ATOM 325 CG1 ILE A 23 7.230 -10.623 2.597 1.00 1.03 C ATOM 326 CG2 ILE A 23 5.281 -11.897 1.773 1.00 0.89 C ATOM 327 CD1 ILE A 23 8.321 -10.438 3.652 1.00 1.45 C ATOM 0 H ILE A 23 6.190 -10.245 5.267 1.00 0.87 H new ATOM 0 HA ILE A 23 4.789 -9.491 2.772 1.00 0.79 H new ATOM 0 HB ILE A 23 6.060 -12.025 3.794 1.00 0.87 H new ATOM 0 HG12 ILE A 23 7.648 -11.224 1.789 1.00 1.03 H new ATOM 0 HG13 ILE A 23 7.002 -9.642 2.179 1.00 1.03 H new ATOM 0 HG21 ILE A 23 5.951 -12.661 1.379 1.00 0.89 H new ATOM 0 HG22 ILE A 23 4.324 -12.351 2.029 1.00 0.89 H new ATOM 0 HG23 ILE A 23 5.126 -11.126 1.019 1.00 0.89 H new ATOM 0 HD11 ILE A 23 9.193 -9.970 3.195 1.00 1.45 H new ATOM 0 HD12 ILE A 23 7.947 -9.803 4.455 1.00 1.45 H new ATOM 0 HD13 ILE A 23 8.602 -11.409 4.059 1.00 1.45 H new ATOM 339 N LEU A 24 2.686 -10.874 3.073 1.00 0.72 N ATOM 340 CA LEU A 24 1.297 -11.203 3.331 1.00 0.76 C ATOM 341 C LEU A 24 1.117 -12.717 3.258 1.00 0.94 C ATOM 342 O LEU A 24 1.085 -13.373 4.294 1.00 1.12 O ATOM 343 CB LEU A 24 0.431 -10.428 2.329 1.00 0.76 C ATOM 344 CG LEU A 24 0.643 -8.913 2.423 1.00 0.78 C ATOM 345 CD1 LEU A 24 -0.097 -8.281 1.252 1.00 1.15 C ATOM 346 CD2 LEU A 24 0.159 -8.336 3.750 1.00 0.99 C ATOM 0 H LEU A 24 2.904 -10.782 2.081 1.00 0.72 H new ATOM 0 HA LEU A 24 0.983 -10.907 4.332 1.00 0.76 H new ATOM 0 HB2 LEU A 24 0.663 -10.763 1.318 1.00 0.76 H new ATOM 0 HB3 LEU A 24 -0.620 -10.657 2.508 1.00 0.76 H new ATOM 0 HG LEU A 24 1.709 -8.692 2.379 1.00 0.78 H new ATOM 0 HD11 LEU A 24 0.030 -7.199 1.283 1.00 1.15 H new ATOM 0 HD12 LEU A 24 0.306 -8.667 0.316 1.00 1.15 H new ATOM 0 HD13 LEU A 24 -1.157 -8.524 1.318 1.00 1.15 H new ATOM 0 HD21 LEU A 24 0.333 -7.260 3.764 1.00 0.99 H new ATOM 0 HD22 LEU A 24 -0.907 -8.533 3.865 1.00 0.99 H new ATOM 0 HD23 LEU A 24 0.705 -8.802 4.570 1.00 0.99 H new ATOM 358 N GLU A 25 1.059 -13.248 2.038 1.00 0.99 N ATOM 359 CA GLU A 25 1.076 -14.654 1.653 1.00 1.21 C ATOM 360 C GLU A 25 -0.341 -15.211 1.698 1.00 1.28 C ATOM 361 O GLU A 25 -0.654 -16.099 2.490 1.00 2.04 O ATOM 362 CB GLU A 25 2.081 -15.498 2.455 1.00 1.83 C ATOM 363 CG GLU A 25 3.482 -14.879 2.443 1.00 1.26 C ATOM 364 CD GLU A 25 4.573 -15.864 2.868 1.00 1.78 C ATOM 365 OE1 GLU A 25 4.946 -16.707 2.022 1.00 2.41 O ATOM 366 OE2 GLU A 25 5.057 -15.738 4.016 1.00 2.63 O ATOM 0 H GLU A 25 0.993 -12.645 1.218 1.00 0.99 H new ATOM 0 HA GLU A 25 1.439 -14.717 0.627 1.00 1.21 H new ATOM 0 HB2 GLU A 25 1.735 -15.594 3.484 1.00 1.83 H new ATOM 0 HB3 GLU A 25 2.125 -16.504 2.038 1.00 1.83 H new ATOM 0 HG2 GLU A 25 3.702 -14.511 1.441 1.00 1.26 H new ATOM 0 HG3 GLU A 25 3.498 -14.017 3.110 1.00 1.26 H new ATOM 373 N GLU A 26 -1.200 -14.684 0.818 1.00 1.54 N ATOM 374 CA GLU A 26 -2.644 -14.896 0.877 1.00 2.13 C ATOM 375 C GLU A 26 -3.214 -14.414 2.221 1.00 1.57 C ATOM 376 O GLU A 26 -2.508 -13.834 3.045 1.00 2.28 O ATOM 377 CB GLU A 26 -3.000 -16.363 0.545 1.00 3.39 C ATOM 378 CG GLU A 26 -3.552 -16.480 -0.879 1.00 5.04 C ATOM 379 CD GLU A 26 -3.946 -17.923 -1.203 1.00 6.10 C ATOM 380 OE1 GLU A 26 -4.977 -18.368 -0.650 1.00 6.49 O ATOM 381 OE2 GLU A 26 -3.227 -18.560 -2.006 1.00 6.99 O ATOM 0 H GLU A 26 -0.906 -14.094 0.040 1.00 1.54 H new ATOM 0 HA GLU A 26 -3.124 -14.288 0.110 1.00 2.13 H new ATOM 0 HB2 GLU A 26 -2.114 -16.989 0.649 1.00 3.39 H new ATOM 0 HB3 GLU A 26 -3.737 -16.733 1.257 1.00 3.39 H new ATOM 0 HG2 GLU A 26 -4.420 -15.830 -0.990 1.00 5.04 H new ATOM 0 HG3 GLU A 26 -2.803 -16.136 -1.592 1.00 5.04 H new ATOM 388 N GLY A 27 -4.521 -14.590 2.438 1.00 1.78 N ATOM 389 CA GLY A 27 -5.157 -14.259 3.707 1.00 2.49 C ATOM 390 C GLY A 27 -5.489 -12.774 3.824 1.00 2.00 C ATOM 391 O GLY A 27 -6.651 -12.416 3.994 1.00 2.10 O ATOM 0 H GLY A 27 -5.162 -14.965 1.739 1.00 1.78 H new ATOM 0 HA2 GLY A 27 -6.072 -14.842 3.814 1.00 2.49 H new ATOM 0 HA3 GLY A 27 -4.498 -14.546 4.526 1.00 2.49 H new ATOM 395 N GLU A 28 -4.473 -11.913 3.792 1.00 1.78 N ATOM 396 CA GLU A 28 -4.616 -10.483 4.010 1.00 1.68 C ATOM 397 C GLU A 28 -5.303 -9.814 2.818 1.00 1.22 C ATOM 398 O GLU A 28 -5.094 -10.189 1.664 1.00 1.25 O ATOM 399 CB GLU A 28 -3.221 -9.878 4.181 1.00 1.97 C ATOM 400 CG GLU A 28 -2.518 -10.334 5.469 1.00 2.61 C ATOM 401 CD GLU A 28 -2.886 -9.428 6.644 1.00 3.74 C ATOM 402 OE1 GLU A 28 -1.953 -8.960 7.338 1.00 4.53 O ATOM 403 OE2 GLU A 28 -4.091 -9.121 6.792 1.00 4.41 O ATOM 0 H GLU A 28 -3.511 -12.200 3.610 1.00 1.78 H new ATOM 0 HA GLU A 28 -5.226 -10.319 4.898 1.00 1.68 H new ATOM 0 HB2 GLU A 28 -2.606 -10.150 3.323 1.00 1.97 H new ATOM 0 HB3 GLU A 28 -3.301 -8.791 4.184 1.00 1.97 H new ATOM 0 HG2 GLU A 28 -2.799 -11.362 5.696 1.00 2.61 H new ATOM 0 HG3 GLU A 28 -1.438 -10.324 5.321 1.00 2.61 H new ATOM 410 N ASP A 29 -6.092 -8.776 3.095 1.00 1.16 N ATOM 411 CA ASP A 29 -6.761 -7.992 2.068 1.00 0.99 C ATOM 412 C ASP A 29 -5.753 -7.097 1.356 1.00 0.85 C ATOM 413 O ASP A 29 -4.793 -6.610 1.958 1.00 0.98 O ATOM 414 CB ASP A 29 -7.834 -7.094 2.689 1.00 1.36 C ATOM 415 CG ASP A 29 -8.986 -7.889 3.285 1.00 1.82 C ATOM 416 OD1 ASP A 29 -8.969 -8.060 4.523 1.00 2.89 O ATOM 417 OD2 ASP A 29 -9.868 -8.290 2.493 1.00 2.62 O ATOM 0 H ASP A 29 -6.283 -8.457 4.045 1.00 1.16 H new ATOM 0 HA ASP A 29 -7.220 -8.686 1.364 1.00 0.99 H new ATOM 0 HB2 ASP A 29 -7.382 -6.477 3.466 1.00 1.36 H new ATOM 0 HB3 ASP A 29 -8.220 -6.416 1.928 1.00 1.36 H new ATOM 422 N VAL A 30 -6.025 -6.795 0.088 1.00 0.94 N ATOM 423 CA VAL A 30 -5.185 -5.937 -0.734 1.00 1.02 C ATOM 424 C VAL A 30 -5.997 -4.735 -1.217 1.00 0.92 C ATOM 425 O VAL A 30 -7.190 -4.833 -1.506 1.00 1.13 O ATOM 426 CB VAL A 30 -4.549 -6.736 -1.885 1.00 1.40 C ATOM 427 CG1 VAL A 30 -3.590 -7.796 -1.329 1.00 1.62 C ATOM 428 CG2 VAL A 30 -5.585 -7.427 -2.782 1.00 1.90 C ATOM 0 H VAL A 30 -6.848 -7.146 -0.401 1.00 0.94 H new ATOM 0 HA VAL A 30 -4.357 -5.552 -0.139 1.00 1.02 H new ATOM 0 HB VAL A 30 -4.010 -6.012 -2.497 1.00 1.40 H new ATOM 0 HG11 VAL A 30 -3.147 -8.354 -2.154 1.00 1.62 H new ATOM 0 HG12 VAL A 30 -2.801 -7.308 -0.756 1.00 1.62 H new ATOM 0 HG13 VAL A 30 -4.139 -8.480 -0.682 1.00 1.62 H new ATOM 0 HG21 VAL A 30 -5.073 -7.974 -3.574 1.00 1.90 H new ATOM 0 HG22 VAL A 30 -6.177 -8.121 -2.186 1.00 1.90 H new ATOM 0 HG23 VAL A 30 -6.241 -6.677 -3.224 1.00 1.90 H new ATOM 438 N ARG A 31 -5.350 -3.573 -1.285 1.00 0.86 N ATOM 439 CA ARG A 31 -5.986 -2.309 -1.610 1.00 0.73 C ATOM 440 C ARG A 31 -4.975 -1.458 -2.367 1.00 0.74 C ATOM 441 O ARG A 31 -4.393 -0.525 -1.821 1.00 1.34 O ATOM 442 CB ARG A 31 -6.447 -1.649 -0.301 1.00 0.67 C ATOM 443 CG ARG A 31 -7.241 -0.358 -0.557 1.00 1.10 C ATOM 444 CD ARG A 31 -8.667 -0.405 0.018 1.00 1.48 C ATOM 445 NE ARG A 31 -9.677 -0.191 -1.028 1.00 1.98 N ATOM 446 CZ ARG A 31 -10.094 -1.114 -1.905 1.00 3.29 C ATOM 447 NH1 ARG A 31 -10.970 -0.771 -2.851 1.00 4.21 N ATOM 448 NH2 ARG A 31 -9.631 -2.364 -1.845 1.00 4.47 N ATOM 0 H ARG A 31 -4.349 -3.488 -1.111 1.00 0.86 H new ATOM 0 HA ARG A 31 -6.864 -2.438 -2.243 1.00 0.73 H new ATOM 0 HB2 ARG A 31 -7.065 -2.350 0.260 1.00 0.67 H new ATOM 0 HB3 ARG A 31 -5.578 -1.424 0.317 1.00 0.67 H new ATOM 0 HG2 ARG A 31 -6.706 0.484 -0.118 1.00 1.10 H new ATOM 0 HG3 ARG A 31 -7.294 -0.177 -1.631 1.00 1.10 H new ATOM 0 HD2 ARG A 31 -8.836 -1.370 0.496 1.00 1.48 H new ATOM 0 HD3 ARG A 31 -8.774 0.357 0.790 1.00 1.48 H new ATOM 0 HE ARG A 31 -10.095 0.737 -1.092 1.00 1.98 H new ATOM 0 HH11 ARG A 31 -11.316 0.187 -2.902 1.00 4.21 H new ATOM 0 HH12 ARG A 31 -11.293 -1.467 -3.523 1.00 4.21 H new ATOM 0 HH21 ARG A 31 -8.954 -2.623 -1.127 1.00 4.47 H new ATOM 0 HH22 ARG A 31 -9.954 -3.060 -2.517 1.00 4.47 H new ATOM 462 N ARG A 32 -4.737 -1.791 -3.637 1.00 0.61 N ATOM 463 CA ARG A 32 -3.801 -1.021 -4.439 1.00 0.63 C ATOM 464 C ARG A 32 -4.370 0.365 -4.678 1.00 0.69 C ATOM 465 O ARG A 32 -5.487 0.507 -5.180 1.00 1.08 O ATOM 466 CB ARG A 32 -3.440 -1.711 -5.759 1.00 0.81 C ATOM 467 CG ARG A 32 -4.649 -2.019 -6.649 1.00 1.15 C ATOM 468 CD ARG A 32 -4.779 -1.064 -7.840 1.00 1.07 C ATOM 469 NE ARG A 32 -5.978 -1.379 -8.632 1.00 1.42 N ATOM 470 CZ ARG A 32 -7.224 -0.990 -8.334 1.00 1.87 C ATOM 471 NH1 ARG A 32 -8.243 -1.378 -9.106 1.00 2.29 N ATOM 472 NH2 ARG A 32 -7.457 -0.226 -7.266 1.00 3.02 N ATOM 0 H ARG A 32 -5.174 -2.576 -4.121 1.00 0.61 H new ATOM 0 HA ARG A 32 -2.867 -0.942 -3.882 1.00 0.63 H new ATOM 0 HB2 ARG A 32 -2.747 -1.077 -6.311 1.00 0.81 H new ATOM 0 HB3 ARG A 32 -2.916 -2.641 -5.540 1.00 0.81 H new ATOM 0 HG2 ARG A 32 -4.569 -3.041 -7.018 1.00 1.15 H new ATOM 0 HG3 ARG A 32 -5.557 -1.967 -6.048 1.00 1.15 H new ATOM 0 HD2 ARG A 32 -4.833 -0.035 -7.483 1.00 1.07 H new ATOM 0 HD3 ARG A 32 -3.892 -1.137 -8.469 1.00 1.07 H new ATOM 0 HE ARG A 32 -5.850 -1.938 -9.475 1.00 1.42 H new ATOM 0 HH11 ARG A 32 -8.070 -1.969 -9.919 1.00 2.29 H new ATOM 0 HH12 ARG A 32 -9.194 -1.084 -8.882 1.00 2.29 H new ATOM 0 HH21 ARG A 32 -6.683 0.066 -6.669 1.00 3.02 H new ATOM 0 HH22 ARG A 32 -8.409 0.066 -7.046 1.00 3.02 H new ATOM 486 N LEU A 33 -3.576 1.370 -4.332 1.00 0.59 N ATOM 487 CA LEU A 33 -3.875 2.763 -4.524 1.00 0.62 C ATOM 488 C LEU A 33 -4.085 3.052 -6.006 1.00 0.62 C ATOM 489 O LEU A 33 -3.515 2.362 -6.855 1.00 0.71 O ATOM 490 CB LEU A 33 -2.676 3.576 -4.012 1.00 0.76 C ATOM 491 CG LEU A 33 -2.345 3.324 -2.534 1.00 0.64 C ATOM 492 CD1 LEU A 33 -1.261 4.306 -2.080 1.00 2.02 C ATOM 493 CD2 LEU A 33 -3.596 3.425 -1.658 1.00 1.51 C ATOM 0 H LEU A 33 -2.669 1.218 -3.891 1.00 0.59 H new ATOM 0 HA LEU A 33 -4.783 3.030 -3.984 1.00 0.62 H new ATOM 0 HB2 LEU A 33 -1.801 3.337 -4.617 1.00 0.76 H new ATOM 0 HB3 LEU A 33 -2.881 4.637 -4.153 1.00 0.76 H new ATOM 0 HG LEU A 33 -1.966 2.308 -2.425 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -1.025 4.128 -1.031 1.00 2.02 H new ATOM 0 HD12 LEU A 33 -0.364 4.162 -2.683 1.00 2.02 H new ATOM 0 HD13 LEU A 33 -1.621 5.328 -2.203 1.00 2.02 H new ATOM 0 HD21 LEU A 33 -3.327 3.241 -0.618 1.00 1.51 H new ATOM 0 HD22 LEU A 33 -4.026 4.422 -1.751 1.00 1.51 H new ATOM 0 HD23 LEU A 33 -4.327 2.683 -1.980 1.00 1.51 H new ATOM 505 N PRO A 34 -4.798 4.138 -6.329 1.00 0.61 N ATOM 506 CA PRO A 34 -4.930 4.613 -7.696 1.00 0.68 C ATOM 507 C PRO A 34 -3.589 5.073 -8.279 1.00 0.71 C ATOM 508 O PRO A 34 -3.508 5.317 -9.480 1.00 0.90 O ATOM 509 CB PRO A 34 -5.944 5.759 -7.628 1.00 0.72 C ATOM 510 CG PRO A 34 -5.791 6.290 -6.204 1.00 0.67 C ATOM 511 CD PRO A 34 -5.499 5.020 -5.408 1.00 0.61 C ATOM 0 HA PRO A 34 -5.265 3.818 -8.362 1.00 0.68 H new ATOM 0 HB2 PRO A 34 -5.729 6.529 -8.368 1.00 0.72 H new ATOM 0 HB3 PRO A 34 -6.958 5.409 -7.818 1.00 0.72 H new ATOM 0 HG2 PRO A 34 -4.980 7.014 -6.126 1.00 0.67 H new ATOM 0 HG3 PRO A 34 -6.697 6.787 -5.857 1.00 0.67 H new ATOM 0 HD2 PRO A 34 -4.889 5.238 -4.531 1.00 0.61 H new ATOM 0 HD3 PRO A 34 -6.420 4.561 -5.049 1.00 0.61 H new ATOM 519 N CYS A 35 -2.528 5.173 -7.471 1.00 0.62 N ATOM 520 CA CYS A 35 -1.248 5.696 -7.908 1.00 0.71 C ATOM 521 C CYS A 35 -0.267 4.532 -8.102 1.00 0.81 C ATOM 522 O CYS A 35 0.928 4.675 -7.805 1.00 0.92 O ATOM 523 CB CYS A 35 -0.783 6.706 -6.841 1.00 0.76 C ATOM 524 SG CYS A 35 0.035 5.916 -5.418 1.00 1.26 S ATOM 0 H CYS A 35 -2.543 4.889 -6.491 1.00 0.62 H new ATOM 0 HA CYS A 35 -1.313 6.209 -8.868 1.00 0.71 H new ATOM 0 HB2 CYS A 35 -0.096 7.418 -7.298 1.00 0.76 H new ATOM 0 HB3 CYS A 35 -1.643 7.275 -6.488 1.00 0.76 H new ATOM 529 N MET A 36 -0.770 3.375 -8.552 1.00 0.90 N ATOM 530 CA MET A 36 -0.013 2.141 -8.722 1.00 1.09 C ATOM 531 C MET A 36 0.870 1.861 -7.509 1.00 1.02 C ATOM 532 O MET A 36 2.083 2.063 -7.530 1.00 1.30 O ATOM 533 CB MET A 36 0.785 2.178 -10.039 1.00 1.48 C ATOM 534 CG MET A 36 0.024 1.532 -11.199 1.00 1.69 C ATOM 535 SD MET A 36 0.520 -0.186 -11.510 1.00 2.91 S ATOM 536 CE MET A 36 -0.188 -0.425 -13.160 1.00 3.12 C ATOM 0 H MET A 36 -1.750 3.276 -8.815 1.00 0.90 H new ATOM 0 HA MET A 36 -0.713 1.308 -8.790 1.00 1.09 H new ATOM 0 HB2 MET A 36 1.017 3.213 -10.291 1.00 1.48 H new ATOM 0 HB3 MET A 36 1.735 1.663 -9.900 1.00 1.48 H new ATOM 0 HG2 MET A 36 -1.045 1.562 -10.986 1.00 1.69 H new ATOM 0 HG3 MET A 36 0.185 2.119 -12.103 1.00 1.69 H new ATOM 0 HE1 MET A 36 0.026 -1.437 -13.505 1.00 3.12 H new ATOM 0 HE2 MET A 36 -1.267 -0.277 -13.118 1.00 3.12 H new ATOM 0 HE3 MET A 36 0.250 0.294 -13.852 1.00 3.12 H new ATOM 546 N HIS A 37 0.258 1.393 -6.425 1.00 0.80 N ATOM 547 CA HIS A 37 1.002 1.016 -5.238 1.00 0.83 C ATOM 548 C HIS A 37 0.204 -0.061 -4.512 1.00 0.84 C ATOM 549 O HIS A 37 -0.870 0.230 -3.989 1.00 1.34 O ATOM 550 CB HIS A 37 1.241 2.268 -4.375 1.00 0.82 C ATOM 551 CG HIS A 37 2.635 2.825 -4.538 1.00 1.12 C ATOM 552 ND1 HIS A 37 3.042 3.929 -5.303 1.00 1.12 N ATOM 553 CD2 HIS A 37 3.732 2.272 -3.937 1.00 1.54 C ATOM 554 CE1 HIS A 37 4.371 3.999 -5.147 1.00 1.54 C ATOM 555 NE2 HIS A 37 4.816 3.022 -4.334 1.00 1.80 N ATOM 0 H HIS A 37 -0.751 1.268 -6.349 1.00 0.80 H new ATOM 0 HA HIS A 37 1.983 0.608 -5.481 1.00 0.83 H new ATOM 0 HB2 HIS A 37 0.513 3.034 -4.643 1.00 0.82 H new ATOM 0 HB3 HIS A 37 1.072 2.021 -3.327 1.00 0.82 H new ATOM 0 HD2 HIS A 37 3.745 1.415 -3.280 1.00 1.54 H new ATOM 0 HE1 HIS A 37 5.002 4.741 -5.612 1.00 1.54 H new ATOM 0 HE2 HIS A 37 5.786 2.865 -4.060 1.00 1.80 H new ATOM 563 N LEU A 38 0.690 -1.308 -4.517 1.00 0.75 N ATOM 564 CA LEU A 38 0.094 -2.384 -3.741 1.00 0.80 C ATOM 565 C LEU A 38 0.375 -2.104 -2.275 1.00 0.71 C ATOM 566 O LEU A 38 1.525 -1.897 -1.902 1.00 1.04 O ATOM 567 CB LEU A 38 0.688 -3.743 -4.158 1.00 1.42 C ATOM 568 CG LEU A 38 0.332 -4.886 -3.181 1.00 1.01 C ATOM 569 CD1 LEU A 38 -0.105 -6.138 -3.940 1.00 1.44 C ATOM 570 CD2 LEU A 38 1.531 -5.255 -2.300 1.00 2.47 C ATOM 0 H LEU A 38 1.506 -1.592 -5.060 1.00 0.75 H new ATOM 0 HA LEU A 38 -0.981 -2.430 -3.918 1.00 0.80 H new ATOM 0 HB2 LEU A 38 0.328 -4.000 -5.154 1.00 1.42 H new ATOM 0 HB3 LEU A 38 1.772 -3.654 -4.224 1.00 1.42 H new ATOM 0 HG LEU A 38 -0.486 -4.525 -2.557 1.00 1.01 H new ATOM 0 HD11 LEU A 38 -0.350 -6.927 -3.229 1.00 1.44 H new ATOM 0 HD12 LEU A 38 -0.982 -5.909 -4.545 1.00 1.44 H new ATOM 0 HD13 LEU A 38 0.705 -6.472 -4.588 1.00 1.44 H new ATOM 0 HD21 LEU A 38 1.250 -6.062 -1.623 1.00 2.47 H new ATOM 0 HD22 LEU A 38 2.359 -5.581 -2.930 1.00 2.47 H new ATOM 0 HD23 LEU A 38 1.838 -4.385 -1.720 1.00 2.47 H new ATOM 582 N PHE A 39 -0.668 -2.152 -1.449 1.00 0.72 N ATOM 583 CA PHE A 39 -0.541 -2.170 -0.009 1.00 0.96 C ATOM 584 C PHE A 39 -1.659 -3.054 0.538 1.00 1.27 C ATOM 585 O PHE A 39 -2.706 -3.202 -0.088 1.00 2.65 O ATOM 586 CB PHE A 39 -0.642 -0.744 0.542 1.00 1.21 C ATOM 587 CG PHE A 39 0.530 0.171 0.224 1.00 1.13 C ATOM 588 CD1 PHE A 39 1.843 -0.214 0.554 1.00 1.92 C ATOM 589 CD2 PHE A 39 0.306 1.444 -0.335 1.00 2.76 C ATOM 590 CE1 PHE A 39 2.917 0.666 0.338 1.00 2.21 C ATOM 591 CE2 PHE A 39 1.384 2.320 -0.562 1.00 2.80 C ATOM 592 CZ PHE A 39 2.691 1.931 -0.226 1.00 1.63 C ATOM 0 H PHE A 39 -1.634 -2.180 -1.774 1.00 0.72 H new ATOM 0 HA PHE A 39 0.427 -2.568 0.295 1.00 0.96 H new ATOM 0 HB2 PHE A 39 -1.552 -0.287 0.152 1.00 1.21 H new ATOM 0 HB3 PHE A 39 -0.752 -0.800 1.625 1.00 1.21 H new ATOM 0 HD1 PHE A 39 2.026 -1.191 0.976 1.00 1.92 H new ATOM 0 HD2 PHE A 39 -0.698 1.750 -0.591 1.00 2.76 H new ATOM 0 HE1 PHE A 39 3.920 0.368 0.607 1.00 2.21 H new ATOM 0 HE2 PHE A 39 1.206 3.293 -0.995 1.00 2.80 H new ATOM 0 HZ PHE A 39 3.519 2.603 -0.401 1.00 1.63 H new ATOM 602 N HIS A 40 -1.420 -3.664 1.695 1.00 0.63 N ATOM 603 CA HIS A 40 -2.413 -4.412 2.459 1.00 0.67 C ATOM 604 C HIS A 40 -3.437 -3.444 3.025 1.00 0.58 C ATOM 605 O HIS A 40 -3.081 -2.313 3.332 1.00 1.23 O ATOM 606 CB HIS A 40 -1.640 -5.155 3.550 1.00 1.17 C ATOM 607 CG HIS A 40 -2.285 -5.478 4.865 1.00 0.90 C ATOM 608 ND1 HIS A 40 -1.578 -5.566 6.069 1.00 1.04 N ATOM 609 CD2 HIS A 40 -3.517 -6.048 5.020 1.00 1.26 C ATOM 610 CE1 HIS A 40 -2.410 -6.191 6.914 1.00 1.59 C ATOM 611 NE2 HIS A 40 -3.593 -6.452 6.330 1.00 1.78 N ATOM 0 H HIS A 40 -0.502 -3.651 2.140 1.00 0.63 H new ATOM 0 HA HIS A 40 -2.965 -5.129 1.852 1.00 0.67 H new ATOM 0 HB2 HIS A 40 -1.304 -6.098 3.118 1.00 1.17 H new ATOM 0 HB3 HIS A 40 -0.748 -4.567 3.767 1.00 1.17 H new ATOM 0 HD2 HIS A 40 -4.279 -6.159 4.263 1.00 1.26 H new ATOM 0 HE1 HIS A 40 -2.162 -6.451 7.932 1.00 1.59 H new ATOM 0 HE2 HIS A 40 -4.404 -6.876 6.781 1.00 1.78 H new ATOM 619 N GLN A 41 -4.695 -3.856 3.189 1.00 0.54 N ATOM 620 CA GLN A 41 -5.723 -2.933 3.644 1.00 0.58 C ATOM 621 C GLN A 41 -5.407 -2.335 5.020 1.00 0.68 C ATOM 622 O GLN A 41 -5.646 -1.153 5.239 1.00 1.05 O ATOM 623 CB GLN A 41 -7.104 -3.596 3.592 1.00 0.80 C ATOM 624 CG GLN A 41 -8.214 -2.554 3.786 1.00 1.26 C ATOM 625 CD GLN A 41 -9.544 -3.045 3.223 1.00 1.54 C ATOM 626 OE1 GLN A 41 -9.723 -3.101 2.010 1.00 2.66 O ATOM 627 NE2 GLN A 41 -10.498 -3.392 4.079 1.00 2.21 N ATOM 0 H GLN A 41 -5.018 -4.808 3.016 1.00 0.54 H new ATOM 0 HA GLN A 41 -5.738 -2.087 2.956 1.00 0.58 H new ATOM 0 HB2 GLN A 41 -7.235 -4.100 2.634 1.00 0.80 H new ATOM 0 HB3 GLN A 41 -7.176 -4.359 4.367 1.00 0.80 H new ATOM 0 HG2 GLN A 41 -8.326 -2.333 4.847 1.00 1.26 H new ATOM 0 HG3 GLN A 41 -7.931 -1.623 3.295 1.00 1.26 H new ATOM 0 HE21 GLN A 41 -10.327 -3.337 5.083 1.00 2.21 H new ATOM 0 HE22 GLN A 41 -11.402 -3.713 3.732 1.00 2.21 H new ATOM 636 N VAL A 42 -4.854 -3.106 5.958 1.00 0.67 N ATOM 637 CA VAL A 42 -4.457 -2.509 7.230 1.00 0.85 C ATOM 638 C VAL A 42 -3.187 -1.677 7.053 1.00 0.98 C ATOM 639 O VAL A 42 -3.064 -0.642 7.702 1.00 1.27 O ATOM 640 CB VAL A 42 -4.283 -3.570 8.325 1.00 0.94 C ATOM 641 CG1 VAL A 42 -4.052 -2.928 9.698 1.00 1.04 C ATOM 642 CG2 VAL A 42 -5.525 -4.466 8.426 1.00 1.02 C ATOM 0 H VAL A 42 -4.677 -4.106 5.867 1.00 0.67 H new ATOM 0 HA VAL A 42 -5.259 -1.846 7.556 1.00 0.85 H new ATOM 0 HB VAL A 42 -3.413 -4.164 8.046 1.00 0.94 H new ATOM 0 HG11 VAL A 42 -3.933 -3.709 10.449 1.00 1.04 H new ATOM 0 HG12 VAL A 42 -3.151 -2.315 9.666 1.00 1.04 H new ATOM 0 HG13 VAL A 42 -4.907 -2.303 9.956 1.00 1.04 H new ATOM 0 HG21 VAL A 42 -5.375 -5.209 9.209 1.00 1.02 H new ATOM 0 HG22 VAL A 42 -6.395 -3.856 8.667 1.00 1.02 H new ATOM 0 HG23 VAL A 42 -5.688 -4.971 7.474 1.00 1.02 H new ATOM 652 N CYS A 43 -2.235 -2.098 6.203 1.00 0.99 N ATOM 653 CA CYS A 43 -1.004 -1.346 6.017 1.00 1.25 C ATOM 654 C CYS A 43 -1.351 0.075 5.568 1.00 0.87 C ATOM 655 O CYS A 43 -0.944 1.058 6.186 1.00 0.85 O ATOM 656 CB CYS A 43 -0.180 -2.044 4.926 1.00 1.62 C ATOM 657 SG CYS A 43 0.986 -3.296 5.600 1.00 2.07 S ATOM 0 H CYS A 43 -2.302 -2.948 5.643 1.00 0.99 H new ATOM 0 HA CYS A 43 -0.435 -1.300 6.946 1.00 1.25 H new ATOM 0 HB2 CYS A 43 -0.856 -2.527 4.221 1.00 1.62 H new ATOM 0 HB3 CYS A 43 0.382 -1.295 4.367 1.00 1.62 H new ATOM 662 N VAL A 44 -2.049 0.187 4.440 1.00 0.67 N ATOM 663 CA VAL A 44 -2.367 1.460 3.816 1.00 0.56 C ATOM 664 C VAL A 44 -3.000 2.396 4.842 1.00 0.66 C ATOM 665 O VAL A 44 -2.556 3.534 4.980 1.00 0.74 O ATOM 666 CB VAL A 44 -3.225 1.256 2.553 1.00 0.58 C ATOM 667 CG1 VAL A 44 -4.620 0.694 2.816 1.00 1.63 C ATOM 668 CG2 VAL A 44 -3.378 2.555 1.767 1.00 1.73 C ATOM 0 H VAL A 44 -2.413 -0.618 3.930 1.00 0.67 H new ATOM 0 HA VAL A 44 -1.451 1.941 3.473 1.00 0.56 H new ATOM 0 HB VAL A 44 -2.673 0.513 1.977 1.00 0.58 H new ATOM 0 HG11 VAL A 44 -5.152 0.584 1.871 1.00 1.63 H new ATOM 0 HG12 VAL A 44 -4.535 -0.279 3.300 1.00 1.63 H new ATOM 0 HG13 VAL A 44 -5.170 1.375 3.465 1.00 1.63 H new ATOM 0 HG21 VAL A 44 -3.989 2.375 0.882 1.00 1.73 H new ATOM 0 HG22 VAL A 44 -3.860 3.305 2.394 1.00 1.73 H new ATOM 0 HG23 VAL A 44 -2.395 2.914 1.462 1.00 1.73 H new ATOM 678 N ASP A 45 -3.956 1.910 5.638 1.00 0.76 N ATOM 679 CA ASP A 45 -4.619 2.704 6.670 1.00 1.01 C ATOM 680 C ASP A 45 -3.766 2.838 7.945 1.00 1.18 C ATOM 681 O ASP A 45 -4.284 3.025 9.044 1.00 1.36 O ATOM 682 CB ASP A 45 -6.019 2.126 6.935 1.00 1.12 C ATOM 683 CG ASP A 45 -7.008 2.643 5.889 1.00 1.58 C ATOM 684 OD1 ASP A 45 -7.540 1.816 5.118 1.00 2.67 O ATOM 685 OD2 ASP A 45 -7.200 3.880 5.864 1.00 2.23 O ATOM 0 H ASP A 45 -4.292 0.949 5.582 1.00 0.76 H new ATOM 0 HA ASP A 45 -4.738 3.726 6.309 1.00 1.01 H new ATOM 0 HB2 ASP A 45 -5.983 1.037 6.906 1.00 1.12 H new ATOM 0 HB3 ASP A 45 -6.354 2.407 7.934 1.00 1.12 H new ATOM 690 N GLN A 46 -2.438 2.839 7.796 1.00 1.21 N ATOM 691 CA GLN A 46 -1.467 3.124 8.840 1.00 1.42 C ATOM 692 C GLN A 46 -0.450 4.162 8.349 1.00 1.39 C ATOM 693 O GLN A 46 -0.059 5.031 9.127 1.00 1.76 O ATOM 694 CB GLN A 46 -0.825 1.813 9.322 1.00 1.52 C ATOM 695 CG GLN A 46 0.098 1.995 10.535 1.00 2.05 C ATOM 696 CD GLN A 46 1.568 2.124 10.140 1.00 3.28 C ATOM 697 OE1 GLN A 46 2.266 1.132 9.981 1.00 3.74 O ATOM 698 NE2 GLN A 46 2.077 3.338 9.976 1.00 4.79 N ATOM 0 H GLN A 46 -1.997 2.631 6.900 1.00 1.21 H new ATOM 0 HA GLN A 46 -1.960 3.568 9.705 1.00 1.42 H new ATOM 0 HB2 GLN A 46 -1.613 1.104 9.577 1.00 1.52 H new ATOM 0 HB3 GLN A 46 -0.254 1.374 8.503 1.00 1.52 H new ATOM 0 HG2 GLN A 46 -0.205 2.884 11.088 1.00 2.05 H new ATOM 0 HG3 GLN A 46 -0.020 1.146 11.208 1.00 2.05 H new ATOM 0 HE21 GLN A 46 1.488 4.160 10.110 1.00 4.79 H new ATOM 0 HE22 GLN A 46 3.057 3.449 9.715 1.00 4.79 H new ATOM 707 N ARG A 47 -0.009 4.118 7.084 1.00 1.12 N ATOM 708 CA ARG A 47 0.963 5.097 6.567 1.00 1.14 C ATOM 709 C ARG A 47 0.302 6.198 5.749 1.00 1.08 C ATOM 710 O ARG A 47 0.840 7.299 5.676 1.00 1.29 O ATOM 711 CB ARG A 47 2.060 4.369 5.790 1.00 1.17 C ATOM 712 CG ARG A 47 3.203 5.234 5.246 1.00 1.37 C ATOM 713 CD ARG A 47 4.245 4.313 4.584 1.00 1.45 C ATOM 714 NE ARG A 47 5.549 4.974 4.444 1.00 1.71 N ATOM 715 CZ ARG A 47 6.649 4.416 3.916 1.00 2.34 C ATOM 716 NH1 ARG A 47 7.789 5.110 3.892 1.00 2.61 N ATOM 717 NH2 ARG A 47 6.624 3.176 3.419 1.00 3.11 N ATOM 0 H ARG A 47 -0.306 3.420 6.402 1.00 1.12 H new ATOM 0 HA ARG A 47 1.422 5.606 7.414 1.00 1.14 H new ATOM 0 HB2 ARG A 47 2.489 3.606 6.440 1.00 1.17 H new ATOM 0 HB3 ARG A 47 1.596 3.850 4.951 1.00 1.17 H new ATOM 0 HG2 ARG A 47 2.821 5.954 4.522 1.00 1.37 H new ATOM 0 HG3 ARG A 47 3.662 5.806 6.053 1.00 1.37 H new ATOM 0 HD2 ARG A 47 4.359 3.407 5.179 1.00 1.45 H new ATOM 0 HD3 ARG A 47 3.886 4.006 3.602 1.00 1.45 H new ATOM 0 HE ARG A 47 5.625 5.936 4.775 1.00 1.71 H new ATOM 0 HH11 ARG A 47 7.818 6.056 4.273 1.00 2.61 H new ATOM 0 HH12 ARG A 47 8.631 4.695 3.493 1.00 2.61 H new ATOM 0 HH21 ARG A 47 5.758 2.637 3.437 1.00 3.11 H new ATOM 0 HH22 ARG A 47 7.471 2.769 3.022 1.00 3.11 H new ATOM 731 N LEU A 48 -0.863 5.942 5.158 1.00 0.81 N ATOM 732 CA LEU A 48 -1.621 6.946 4.421 1.00 0.75 C ATOM 733 C LEU A 48 -2.721 7.504 5.339 1.00 0.89 C ATOM 734 O LEU A 48 -3.790 7.917 4.889 1.00 1.40 O ATOM 735 CB LEU A 48 -2.198 6.335 3.128 1.00 0.69 C ATOM 736 CG LEU A 48 -1.180 5.847 2.075 1.00 0.70 C ATOM 737 CD1 LEU A 48 -0.295 6.988 1.566 1.00 0.91 C ATOM 738 CD2 LEU A 48 -0.273 4.699 2.536 1.00 0.71 C ATOM 0 H LEU A 48 -1.309 5.025 5.178 1.00 0.81 H new ATOM 0 HA LEU A 48 -0.972 7.768 4.120 1.00 0.75 H new ATOM 0 HB2 LEU A 48 -2.832 5.492 3.404 1.00 0.69 H new ATOM 0 HB3 LEU A 48 -2.842 7.079 2.659 1.00 0.69 H new ATOM 0 HG LEU A 48 -1.809 5.461 1.273 1.00 0.70 H new ATOM 0 HD11 LEU A 48 0.407 6.602 0.827 1.00 0.91 H new ATOM 0 HD12 LEU A 48 -0.919 7.756 1.108 1.00 0.91 H new ATOM 0 HD13 LEU A 48 0.258 7.420 2.400 1.00 0.91 H new ATOM 0 HD21 LEU A 48 0.407 4.426 1.729 1.00 0.71 H new ATOM 0 HD22 LEU A 48 0.304 5.017 3.404 1.00 0.71 H new ATOM 0 HD23 LEU A 48 -0.884 3.837 2.803 1.00 0.71 H new ATOM 750 N ILE A 49 -2.472 7.526 6.651 1.00 1.10 N ATOM 751 CA ILE A 49 -3.370 8.148 7.604 1.00 1.30 C ATOM 752 C ILE A 49 -3.149 9.645 7.584 1.00 1.20 C ATOM 753 O ILE A 49 -2.012 10.099 7.517 1.00 2.62 O ATOM 754 CB ILE A 49 -3.209 7.545 9.003 1.00 1.73 C ATOM 755 CG1 ILE A 49 -1.807 7.720 9.608 1.00 2.96 C ATOM 756 CG2 ILE A 49 -3.565 6.058 8.914 1.00 3.33 C ATOM 757 CD1 ILE A 49 -1.708 8.919 10.557 1.00 4.38 C ATOM 0 H ILE A 49 -1.641 7.111 7.073 1.00 1.10 H new ATOM 0 HA ILE A 49 -4.403 7.951 7.316 1.00 1.30 H new ATOM 0 HB ILE A 49 -3.877 8.084 9.675 1.00 1.73 H new ATOM 0 HG12 ILE A 49 -1.535 6.813 10.148 1.00 2.96 H new ATOM 0 HG13 ILE A 49 -1.083 7.841 8.803 1.00 2.96 H new ATOM 0 HG21 ILE A 49 -3.460 5.599 9.897 1.00 3.33 H new ATOM 0 HG22 ILE A 49 -4.594 5.950 8.571 1.00 3.33 H new ATOM 0 HG23 ILE A 49 -2.895 5.565 8.210 1.00 3.33 H new ATOM 0 HD11 ILE A 49 -0.694 8.988 10.951 1.00 4.38 H new ATOM 0 HD12 ILE A 49 -1.950 9.833 10.015 1.00 4.38 H new ATOM 0 HD13 ILE A 49 -2.409 8.790 11.381 1.00 4.38 H new ATOM 769 N THR A 50 -4.244 10.408 7.620 1.00 1.70 N ATOM 770 CA THR A 50 -4.264 11.832 7.313 1.00 2.08 C ATOM 771 C THR A 50 -3.930 12.066 5.836 1.00 2.24 C ATOM 772 O THR A 50 -4.825 12.389 5.059 1.00 3.78 O ATOM 773 CB THR A 50 -3.382 12.618 8.295 1.00 2.44 C ATOM 774 OG1 THR A 50 -3.729 12.238 9.608 1.00 2.98 O ATOM 775 CG2 THR A 50 -3.593 14.126 8.166 1.00 3.89 C ATOM 0 H THR A 50 -5.162 10.039 7.870 1.00 1.70 H new ATOM 0 HA THR A 50 -5.271 12.223 7.455 1.00 2.08 H new ATOM 0 HB THR A 50 -2.339 12.394 8.069 1.00 2.44 H new ATOM 0 HG1 THR A 50 -3.174 12.730 10.248 1.00 2.98 H new ATOM 0 HG21 THR A 50 -2.951 14.645 8.877 1.00 3.89 H new ATOM 0 HG22 THR A 50 -3.343 14.443 7.153 1.00 3.89 H new ATOM 0 HG23 THR A 50 -4.635 14.367 8.375 1.00 3.89 H new ATOM 783 N ASN A 51 -2.674 11.862 5.439 1.00 1.27 N ATOM 784 CA ASN A 51 -2.133 12.188 4.125 1.00 1.20 C ATOM 785 C ASN A 51 -2.779 11.325 3.039 1.00 0.98 C ATOM 786 O ASN A 51 -3.271 10.241 3.340 1.00 1.15 O ATOM 787 CB ASN A 51 -0.614 11.951 4.166 1.00 1.37 C ATOM 788 CG ASN A 51 0.134 12.800 3.147 1.00 1.61 C ATOM 789 OD1 ASN A 51 -0.437 13.270 2.170 1.00 1.83 O ATOM 790 ND2 ASN A 51 1.419 13.031 3.377 1.00 2.17 N ATOM 0 H ASN A 51 -1.976 11.446 6.055 1.00 1.27 H new ATOM 0 HA ASN A 51 -2.348 13.229 3.884 1.00 1.20 H new ATOM 0 HB2 ASN A 51 -0.241 12.175 5.165 1.00 1.37 H new ATOM 0 HB3 ASN A 51 -0.408 10.897 3.978 1.00 1.37 H new ATOM 0 HD21 ASN A 51 1.956 13.612 2.733 1.00 2.17 H new ATOM 0 HD22 ASN A 51 1.871 12.628 4.198 1.00 2.17 H new ATOM 797 N LYS A 52 -2.755 11.760 1.775 1.00 0.90 N ATOM 798 CA LYS A 52 -3.149 10.951 0.631 1.00 0.79 C ATOM 799 C LYS A 52 -2.398 11.473 -0.579 1.00 0.71 C ATOM 800 O LYS A 52 -2.986 12.163 -1.405 1.00 0.94 O ATOM 801 CB LYS A 52 -4.663 11.037 0.362 1.00 1.25 C ATOM 802 CG LYS A 52 -5.470 10.030 1.182 1.00 3.07 C ATOM 803 CD LYS A 52 -6.238 10.726 2.300 1.00 3.14 C ATOM 804 CE LYS A 52 -6.703 9.654 3.278 1.00 5.17 C ATOM 805 NZ LYS A 52 -5.891 9.700 4.507 1.00 5.98 N ATOM 0 H LYS A 52 -2.455 12.701 1.520 1.00 0.90 H new ATOM 0 HA LYS A 52 -2.912 9.907 0.835 1.00 0.79 H new ATOM 0 HB2 LYS A 52 -5.011 12.045 0.589 1.00 1.25 H new ATOM 0 HB3 LYS A 52 -4.849 10.867 -0.698 1.00 1.25 H new ATOM 0 HG2 LYS A 52 -6.167 9.501 0.532 1.00 3.07 H new ATOM 0 HG3 LYS A 52 -4.801 9.282 1.607 1.00 3.07 H new ATOM 0 HD2 LYS A 52 -5.603 11.455 2.804 1.00 3.14 H new ATOM 0 HD3 LYS A 52 -7.091 11.272 1.896 1.00 3.14 H new ATOM 0 HE2 LYS A 52 -7.754 9.806 3.522 1.00 5.17 H new ATOM 0 HE3 LYS A 52 -6.622 8.670 2.816 1.00 5.17 H new ATOM 0 HZ1 LYS A 52 -6.454 9.350 5.308 1.00 5.98 H new ATOM 0 HZ2 LYS A 52 -5.048 9.102 4.389 1.00 5.98 H new ATOM 0 HZ3 LYS A 52 -5.597 10.680 4.692 1.00 5.98 H new ATOM 819 N LYS A 53 -1.123 11.117 -0.740 1.00 0.57 N ATOM 820 CA LYS A 53 -0.420 11.437 -1.976 1.00 0.65 C ATOM 821 C LYS A 53 0.755 10.491 -2.174 1.00 0.66 C ATOM 822 O LYS A 53 1.370 10.081 -1.192 1.00 0.83 O ATOM 823 CB LYS A 53 -0.011 12.910 -1.992 1.00 0.98 C ATOM 824 CG LYS A 53 1.018 13.300 -0.932 1.00 1.53 C ATOM 825 CD LYS A 53 0.923 14.802 -0.629 1.00 2.27 C ATOM 826 CE LYS A 53 1.045 15.678 -1.887 1.00 3.13 C ATOM 827 NZ LYS A 53 -0.251 15.931 -2.572 1.00 4.20 N ATOM 0 H LYS A 53 -0.568 10.618 -0.045 1.00 0.57 H new ATOM 0 HA LYS A 53 -1.089 11.291 -2.824 1.00 0.65 H new ATOM 0 HB2 LYS A 53 0.392 13.150 -2.976 1.00 0.98 H new ATOM 0 HB3 LYS A 53 -0.903 13.522 -1.855 1.00 0.98 H new ATOM 0 HG2 LYS A 53 0.848 12.726 -0.021 1.00 1.53 H new ATOM 0 HG3 LYS A 53 2.021 13.055 -1.281 1.00 1.53 H new ATOM 0 HD2 LYS A 53 -0.029 15.009 -0.140 1.00 2.27 H new ATOM 0 HD3 LYS A 53 1.709 15.075 0.075 1.00 2.27 H new ATOM 0 HE2 LYS A 53 1.492 16.633 -1.611 1.00 3.13 H new ATOM 0 HE3 LYS A 53 1.728 15.198 -2.588 1.00 3.13 H new ATOM 0 HZ1 LYS A 53 -0.190 16.816 -3.115 1.00 4.20 H new ATOM 0 HZ2 LYS A 53 -0.462 15.143 -3.217 1.00 4.20 H new ATOM 0 HZ3 LYS A 53 -1.008 16.011 -1.864 1.00 4.20 H new ATOM 841 N CYS A 54 1.045 10.140 -3.428 1.00 0.70 N ATOM 842 CA CYS A 54 2.197 9.319 -3.784 1.00 0.84 C ATOM 843 C CYS A 54 3.352 10.263 -4.160 1.00 1.18 C ATOM 844 O CYS A 54 3.100 11.260 -4.839 1.00 1.38 O ATOM 845 CB CYS A 54 1.870 8.525 -5.058 1.00 0.78 C ATOM 846 SG CYS A 54 1.567 6.750 -4.786 1.00 1.00 S ATOM 0 H CYS A 54 0.480 10.421 -4.230 1.00 0.70 H new ATOM 0 HA CYS A 54 2.449 8.659 -2.954 1.00 0.84 H new ATOM 0 HB2 CYS A 54 0.989 8.963 -5.528 1.00 0.78 H new ATOM 0 HB3 CYS A 54 2.695 8.636 -5.762 1.00 0.78 H new ATOM 851 N PRO A 55 4.613 9.913 -3.845 1.00 1.54 N ATOM 852 CA PRO A 55 5.785 10.667 -4.269 1.00 1.99 C ATOM 853 C PRO A 55 5.998 10.559 -5.780 1.00 2.22 C ATOM 854 O PRO A 55 5.719 11.509 -6.504 1.00 3.47 O ATOM 855 CB PRO A 55 6.953 10.114 -3.446 1.00 2.46 C ATOM 856 CG PRO A 55 6.526 8.690 -3.089 1.00 2.30 C ATOM 857 CD PRO A 55 4.998 8.761 -3.045 1.00 1.76 C ATOM 0 HA PRO A 55 5.676 11.737 -4.089 1.00 1.99 H new ATOM 0 HB2 PRO A 55 7.880 10.119 -4.019 1.00 2.46 H new ATOM 0 HB3 PRO A 55 7.128 10.712 -2.552 1.00 2.46 H new ATOM 0 HG2 PRO A 55 6.871 7.972 -3.833 1.00 2.30 H new ATOM 0 HG3 PRO A 55 6.939 8.378 -2.130 1.00 2.30 H new ATOM 0 HD2 PRO A 55 4.556 7.848 -3.443 1.00 1.76 H new ATOM 0 HD3 PRO A 55 4.644 8.866 -2.019 1.00 1.76 H new ATOM 865 N ILE A 56 6.471 9.415 -6.286 1.00 1.64 N ATOM 866 CA ILE A 56 6.817 9.261 -7.700 1.00 1.88 C ATOM 867 C ILE A 56 5.580 8.874 -8.528 1.00 1.66 C ATOM 868 O ILE A 56 5.657 8.095 -9.473 1.00 2.38 O ATOM 869 CB ILE A 56 8.003 8.278 -7.828 1.00 2.21 C ATOM 870 CG1 ILE A 56 8.697 8.313 -9.206 1.00 3.46 C ATOM 871 CG2 ILE A 56 7.607 6.831 -7.484 1.00 2.49 C ATOM 872 CD1 ILE A 56 9.464 9.615 -9.449 1.00 4.56 C ATOM 0 H ILE A 56 6.624 8.574 -5.729 1.00 1.64 H new ATOM 0 HA ILE A 56 7.149 10.211 -8.119 1.00 1.88 H new ATOM 0 HB ILE A 56 8.725 8.631 -7.092 1.00 2.21 H new ATOM 0 HG12 ILE A 56 9.385 7.471 -9.283 1.00 3.46 H new ATOM 0 HG13 ILE A 56 7.949 8.186 -9.988 1.00 3.46 H new ATOM 0 HG21 ILE A 56 8.476 6.181 -7.590 1.00 2.49 H new ATOM 0 HG22 ILE A 56 7.244 6.787 -6.457 1.00 2.49 H new ATOM 0 HG23 ILE A 56 6.820 6.498 -8.161 1.00 2.49 H new ATOM 0 HD11 ILE A 56 9.932 9.584 -10.433 1.00 4.56 H new ATOM 0 HD12 ILE A 56 8.774 10.458 -9.402 1.00 4.56 H new ATOM 0 HD13 ILE A 56 10.233 9.732 -8.685 1.00 4.56 H new ATOM 884 N CYS A 57 4.435 9.457 -8.184 1.00 1.46 N ATOM 885 CA CYS A 57 3.204 9.339 -8.947 1.00 1.39 C ATOM 886 C CYS A 57 2.546 10.731 -9.016 1.00 1.53 C ATOM 887 O CYS A 57 2.022 11.094 -10.064 1.00 2.42 O ATOM 888 CB CYS A 57 2.254 8.288 -8.330 1.00 1.21 C ATOM 889 SG CYS A 57 3.094 6.854 -7.535 1.00 1.03 S ATOM 0 H CYS A 57 4.339 10.036 -7.349 1.00 1.46 H new ATOM 0 HA CYS A 57 3.427 8.990 -9.955 1.00 1.39 H new ATOM 0 HB2 CYS A 57 1.625 8.779 -7.587 1.00 1.21 H new ATOM 0 HB3 CYS A 57 1.592 7.915 -9.111 1.00 1.21 H new ATOM 894 N ARG A 58 2.574 11.526 -7.929 1.00 1.24 N ATOM 895 CA ARG A 58 1.951 12.851 -7.860 1.00 1.31 C ATOM 896 C ARG A 58 0.484 12.744 -8.260 1.00 1.22 C ATOM 897 O ARG A 58 -0.037 13.502 -9.071 1.00 1.53 O ATOM 898 CB ARG A 58 2.752 13.887 -8.667 1.00 1.51 C ATOM 899 CG ARG A 58 2.308 15.328 -8.362 1.00 2.07 C ATOM 900 CD ARG A 58 3.146 16.328 -9.163 1.00 2.16 C ATOM 901 NE ARG A 58 2.587 17.687 -9.077 1.00 3.03 N ATOM 902 CZ ARG A 58 3.163 18.790 -9.572 1.00 3.48 C ATOM 903 NH1 ARG A 58 2.539 19.966 -9.490 1.00 4.45 N ATOM 904 NH2 ARG A 58 4.361 18.714 -10.152 1.00 3.51 N ATOM 0 H ARG A 58 3.039 11.256 -7.062 1.00 1.24 H new ATOM 0 HA ARG A 58 1.971 13.221 -6.835 1.00 1.31 H new ATOM 0 HB2 ARG A 58 3.813 13.780 -8.441 1.00 1.51 H new ATOM 0 HB3 ARG A 58 2.631 13.689 -9.732 1.00 1.51 H new ATOM 0 HG2 ARG A 58 1.253 15.449 -8.608 1.00 2.07 H new ATOM 0 HG3 ARG A 58 2.412 15.529 -7.296 1.00 2.07 H new ATOM 0 HD2 ARG A 58 4.170 16.330 -8.789 1.00 2.16 H new ATOM 0 HD3 ARG A 58 3.189 16.016 -10.206 1.00 2.16 H new ATOM 0 HE ARG A 58 1.690 17.797 -8.603 1.00 3.03 H new ATOM 0 HH11 ARG A 58 1.621 20.027 -9.049 1.00 4.45 H new ATOM 0 HH12 ARG A 58 2.980 20.805 -9.868 1.00 4.45 H new ATOM 0 HH21 ARG A 58 4.839 17.816 -10.219 1.00 3.51 H new ATOM 0 HH22 ARG A 58 4.799 19.554 -10.529 1.00 3.51 H new ATOM 918 N VAL A 59 -0.188 11.805 -7.607 1.00 0.98 N ATOM 919 CA VAL A 59 -1.618 11.620 -7.654 1.00 0.94 C ATOM 920 C VAL A 59 -2.020 11.595 -6.189 1.00 0.77 C ATOM 921 O VAL A 59 -1.308 11.008 -5.364 1.00 0.67 O ATOM 922 CB VAL A 59 -1.941 10.320 -8.410 1.00 0.93 C ATOM 923 CG1 VAL A 59 -3.426 9.952 -8.329 1.00 1.22 C ATOM 924 CG2 VAL A 59 -1.571 10.467 -9.890 1.00 1.15 C ATOM 0 H VAL A 59 0.277 11.125 -7.005 1.00 0.98 H new ATOM 0 HA VAL A 59 -2.165 12.396 -8.189 1.00 0.94 H new ATOM 0 HB VAL A 59 -1.358 9.531 -7.936 1.00 0.93 H new ATOM 0 HG11 VAL A 59 -3.602 9.027 -8.878 1.00 1.22 H new ATOM 0 HG12 VAL A 59 -3.710 9.814 -7.286 1.00 1.22 H new ATOM 0 HG13 VAL A 59 -4.024 10.752 -8.765 1.00 1.22 H new ATOM 0 HG21 VAL A 59 -1.803 9.541 -10.417 1.00 1.15 H new ATOM 0 HG22 VAL A 59 -2.141 11.287 -10.328 1.00 1.15 H new ATOM 0 HG23 VAL A 59 -0.505 10.678 -9.979 1.00 1.15 H new ATOM 934 N ASP A 60 -3.105 12.285 -5.851 1.00 0.82 N ATOM 935 CA ASP A 60 -3.628 12.225 -4.501 1.00 0.76 C ATOM 936 C ASP A 60 -4.408 10.915 -4.408 1.00 0.77 C ATOM 937 O ASP A 60 -5.130 10.542 -5.328 1.00 0.89 O ATOM 938 CB ASP A 60 -4.470 13.465 -4.171 1.00 1.02 C ATOM 939 CG ASP A 60 -3.610 14.695 -3.823 1.00 1.78 C ATOM 940 OD1 ASP A 60 -2.371 14.559 -3.649 1.00 2.91 O ATOM 941 OD2 ASP A 60 -4.195 15.793 -3.730 1.00 2.59 O ATOM 0 H ASP A 60 -3.630 12.884 -6.488 1.00 0.82 H new ATOM 0 HA ASP A 60 -2.833 12.234 -3.755 1.00 0.76 H new ATOM 0 HB2 ASP A 60 -5.108 13.702 -5.022 1.00 1.02 H new ATOM 0 HB3 ASP A 60 -5.129 13.239 -3.332 1.00 1.02 H new ATOM 946 N ILE A 61 -4.183 10.168 -3.331 1.00 0.69 N ATOM 947 CA ILE A 61 -4.594 8.778 -3.180 1.00 0.64 C ATOM 948 C ILE A 61 -6.077 8.679 -2.832 1.00 0.72 C ATOM 949 O ILE A 61 -6.686 7.621 -2.977 1.00 0.78 O ATOM 950 CB ILE A 61 -3.696 8.164 -2.091 1.00 0.56 C ATOM 951 CG1 ILE A 61 -2.209 8.359 -2.402 1.00 0.57 C ATOM 952 CG2 ILE A 61 -3.934 6.682 -1.849 1.00 0.55 C ATOM 953 CD1 ILE A 61 -1.857 8.012 -3.837 1.00 0.64 C ATOM 0 H ILE A 61 -3.693 10.527 -2.512 1.00 0.69 H new ATOM 0 HA ILE A 61 -4.475 8.228 -4.114 1.00 0.64 H new ATOM 0 HB ILE A 61 -3.974 8.704 -1.186 1.00 0.56 H new ATOM 0 HG12 ILE A 61 -1.935 9.396 -2.206 1.00 0.57 H new ATOM 0 HG13 ILE A 61 -1.617 7.740 -1.728 1.00 0.57 H new ATOM 0 HG21 ILE A 61 -3.261 6.328 -1.068 1.00 0.55 H new ATOM 0 HG22 ILE A 61 -4.967 6.525 -1.537 1.00 0.55 H new ATOM 0 HG23 ILE A 61 -3.745 6.128 -2.769 1.00 0.55 H new ATOM 0 HD11 ILE A 61 -0.791 8.170 -3.998 1.00 0.64 H new ATOM 0 HD12 ILE A 61 -2.103 6.968 -4.030 1.00 0.64 H new ATOM 0 HD13 ILE A 61 -2.425 8.649 -4.515 1.00 0.64 H new ATOM 965 N GLU A 62 -6.642 9.774 -2.332 1.00 0.81 N ATOM 966 CA GLU A 62 -8.026 9.849 -1.917 1.00 0.95 C ATOM 967 C GLU A 62 -8.937 9.765 -3.139 1.00 1.71 C ATOM 968 O GLU A 62 -8.588 10.260 -4.208 1.00 2.43 O ATOM 969 CB GLU A 62 -8.230 11.172 -1.159 1.00 1.76 C ATOM 970 CG GLU A 62 -9.560 11.231 -0.408 1.00 1.97 C ATOM 971 CD GLU A 62 -9.748 9.985 0.454 1.00 2.99 C ATOM 972 OE1 GLU A 62 -10.389 9.049 -0.073 1.00 4.07 O ATOM 973 OE2 GLU A 62 -9.218 9.967 1.588 1.00 3.90 O ATOM 0 H GLU A 62 -6.134 10.649 -2.204 1.00 0.81 H new ATOM 0 HA GLU A 62 -8.277 9.017 -1.260 1.00 0.95 H new ATOM 0 HB2 GLU A 62 -7.413 11.308 -0.451 1.00 1.76 H new ATOM 0 HB3 GLU A 62 -8.181 12.001 -1.866 1.00 1.76 H new ATOM 0 HG2 GLU A 62 -9.590 12.122 0.220 1.00 1.97 H new ATOM 0 HG3 GLU A 62 -10.382 11.315 -1.119 1.00 1.97 H new ATOM 980 N ALA A 63 -10.120 9.170 -2.985 1.00 2.35 N ATOM 981 CA ALA A 63 -11.046 8.979 -4.092 1.00 3.48 C ATOM 982 C ALA A 63 -12.461 9.339 -3.644 1.00 3.93 C ATOM 983 O ALA A 63 -13.408 8.613 -3.932 1.00 4.86 O ATOM 984 CB ALA A 63 -10.936 7.537 -4.599 1.00 4.39 C ATOM 0 H ALA A 63 -10.458 8.810 -2.093 1.00 2.35 H new ATOM 0 HA ALA A 63 -10.795 9.639 -4.923 1.00 3.48 H new ATOM 0 HB1 ALA A 63 -11.628 7.389 -5.428 1.00 4.39 H new ATOM 0 HB2 ALA A 63 -9.918 7.347 -4.938 1.00 4.39 H new ATOM 0 HB3 ALA A 63 -11.184 6.848 -3.792 1.00 4.39 H new ATOM 990 N GLN A 64 -12.582 10.491 -2.976 1.00 3.75 N ATOM 991 CA GLN A 64 -13.807 11.023 -2.393 1.00 4.29 C ATOM 992 C GLN A 64 -14.272 10.157 -1.217 1.00 4.80 C ATOM 993 O GLN A 64 -14.893 9.116 -1.407 1.00 5.63 O ATOM 994 CB GLN A 64 -14.900 11.214 -3.468 1.00 5.32 C ATOM 995 CG GLN A 64 -15.458 12.639 -3.457 1.00 6.14 C ATOM 996 CD GLN A 64 -14.471 13.619 -4.084 1.00 7.17 C ATOM 997 OE1 GLN A 64 -13.437 13.929 -3.507 1.00 7.55 O ATOM 998 NE2 GLN A 64 -14.759 14.113 -5.283 1.00 8.46 N ATOM 0 H GLN A 64 -11.783 11.106 -2.822 1.00 3.75 H new ATOM 0 HA GLN A 64 -13.598 12.014 -1.989 1.00 4.29 H new ATOM 0 HB2 GLN A 64 -14.486 10.992 -4.452 1.00 5.32 H new ATOM 0 HB3 GLN A 64 -15.709 10.504 -3.295 1.00 5.32 H new ATOM 0 HG2 GLN A 64 -16.401 12.668 -4.003 1.00 6.14 H new ATOM 0 HG3 GLN A 64 -15.674 12.941 -2.432 1.00 6.14 H new ATOM 0 HE21 GLN A 64 -15.625 13.845 -5.751 1.00 8.46 H new ATOM 0 HE22 GLN A 64 -14.114 14.761 -5.736 1.00 8.46 H new ATOM 1007 N LEU A 65 -13.982 10.592 0.012 1.00 4.93 N ATOM 1008 CA LEU A 65 -14.414 9.889 1.215 1.00 5.89 C ATOM 1009 C LEU A 65 -14.420 10.826 2.432 1.00 5.93 C ATOM 1010 O LEU A 65 -15.462 10.964 3.068 1.00 6.40 O ATOM 1011 CB LEU A 65 -13.564 8.621 1.460 1.00 6.73 C ATOM 1012 CG LEU A 65 -14.382 7.371 1.824 1.00 8.07 C ATOM 1013 CD1 LEU A 65 -15.293 7.602 3.032 1.00 8.64 C ATOM 1014 CD2 LEU A 65 -15.211 6.850 0.647 1.00 9.04 C ATOM 0 H LEU A 65 -13.443 11.438 0.197 1.00 4.93 H new ATOM 0 HA LEU A 65 -15.441 9.557 1.061 1.00 5.89 H new ATOM 0 HB2 LEU A 65 -12.980 8.411 0.564 1.00 6.73 H new ATOM 0 HB3 LEU A 65 -12.855 8.823 2.262 1.00 6.73 H new ATOM 0 HG LEU A 65 -13.646 6.612 2.087 1.00 8.07 H new ATOM 0 HD11 LEU A 65 -15.849 6.690 3.248 1.00 8.64 H new ATOM 0 HD12 LEU A 65 -14.688 7.872 3.898 1.00 8.64 H new ATOM 0 HD13 LEU A 65 -15.992 8.409 2.812 1.00 8.64 H new ATOM 0 HD21 LEU A 65 -15.769 5.967 0.958 1.00 9.04 H new ATOM 0 HD22 LEU A 65 -15.907 7.623 0.322 1.00 9.04 H new ATOM 0 HD23 LEU A 65 -14.548 6.588 -0.178 1.00 9.04 H new ATOM 1026 N PRO A 66 -13.297 11.465 2.807 1.00 6.16 N ATOM 1027 CA PRO A 66 -13.270 12.336 3.971 1.00 6.72 C ATOM 1028 C PRO A 66 -13.940 13.677 3.671 1.00 6.77 C ATOM 1029 O PRO A 66 -14.185 14.021 2.517 1.00 7.06 O ATOM 1030 CB PRO A 66 -11.783 12.522 4.292 1.00 7.80 C ATOM 1031 CG PRO A 66 -11.137 12.451 2.912 1.00 7.79 C ATOM 1032 CD PRO A 66 -11.967 11.373 2.223 1.00 6.73 C ATOM 0 HA PRO A 66 -13.818 11.910 4.811 1.00 6.72 H new ATOM 0 HB2 PRO A 66 -11.590 13.476 4.782 1.00 7.80 H new ATOM 0 HB3 PRO A 66 -11.410 11.742 4.955 1.00 7.80 H new ATOM 0 HG2 PRO A 66 -11.192 13.405 2.387 1.00 7.79 H new ATOM 0 HG3 PRO A 66 -10.083 12.179 2.969 1.00 7.79 H new ATOM 0 HD2 PRO A 66 -12.001 11.534 1.146 1.00 6.73 H new ATOM 0 HD3 PRO A 66 -11.536 10.385 2.384 1.00 6.73 H new ATOM 1040 N SER A 67 -14.149 14.475 4.722 1.00 7.19 N ATOM 1041 CA SER A 67 -14.750 15.806 4.660 1.00 7.94 C ATOM 1042 C SER A 67 -16.237 15.755 4.309 1.00 8.13 C ATOM 1043 O SER A 67 -16.720 16.587 3.546 1.00 8.74 O ATOM 1044 CB SER A 67 -13.972 16.725 3.709 1.00 8.81 C ATOM 1045 OG SER A 67 -12.586 16.620 3.965 1.00 9.40 O ATOM 0 H SER A 67 -13.895 14.201 5.671 1.00 7.19 H new ATOM 0 HA SER A 67 -14.682 16.234 5.660 1.00 7.94 H new ATOM 0 HB2 SER A 67 -14.181 16.453 2.674 1.00 8.81 H new ATOM 0 HB3 SER A 67 -14.298 17.757 3.839 1.00 8.81 H new ATOM 0 HG SER A 67 -12.095 17.208 3.354 1.00 9.40 H new ATOM 1051 N GLU A 68 -16.981 14.831 4.922 1.00 8.31 N ATOM 1052 CA GLU A 68 -18.434 14.825 4.836 1.00 9.28 C ATOM 1053 C GLU A 68 -19.009 14.470 6.212 1.00 9.87 C ATOM 1054 O GLU A 68 -19.439 13.345 6.453 1.00 10.58 O ATOM 1055 CB GLU A 68 -18.909 13.867 3.733 1.00 9.87 C ATOM 1056 CG GLU A 68 -20.342 14.240 3.327 1.00 11.10 C ATOM 1057 CD GLU A 68 -21.111 13.070 2.708 1.00 12.26 C ATOM 1058 OE1 GLU A 68 -20.561 12.444 1.775 1.00 12.84 O ATOM 1059 OE2 GLU A 68 -22.255 12.837 3.156 1.00 12.90 O ATOM 0 H GLU A 68 -16.593 14.075 5.486 1.00 8.31 H new ATOM 0 HA GLU A 68 -18.799 15.814 4.559 1.00 9.28 H new ATOM 0 HB2 GLU A 68 -18.246 13.928 2.870 1.00 9.87 H new ATOM 0 HB3 GLU A 68 -18.875 12.837 4.089 1.00 9.87 H new ATOM 0 HG2 GLU A 68 -20.881 14.599 4.204 1.00 11.10 H new ATOM 0 HG3 GLU A 68 -20.309 15.064 2.614 1.00 11.10 H new ATOM 1066 N SER A 69 -18.964 15.425 7.140 1.00 9.92 N ATOM 1067 CA SER A 69 -19.551 15.381 8.477 1.00 10.79 C ATOM 1068 C SER A 69 -19.557 16.807 9.016 1.00 11.42 C ATOM 1069 O SER A 69 -20.298 17.041 9.994 1.00 12.19 O ATOM 1070 CB SER A 69 -18.723 14.497 9.414 1.00 10.67 C ATOM 1071 OG SER A 69 -19.047 13.131 9.244 1.00 11.17 O ATOM 1072 OXT SER A 69 -18.805 17.629 8.443 1.00 11.51 O ATOM 0 H SER A 69 -18.485 16.308 6.965 1.00 9.92 H new ATOM 0 HA SER A 69 -20.557 14.965 8.423 1.00 10.79 H new ATOM 0 HB2 SER A 69 -17.661 14.649 9.219 1.00 10.67 H new ATOM 0 HB3 SER A 69 -18.902 14.790 10.448 1.00 10.67 H new ATOM 0 HG SER A 69 -19.251 12.958 8.301 1.00 11.17 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.550 -5.304 6.420 1.00 1.23 ZN HETATM 1080 ZN ZN A 102 1.851 5.312 -6.462 1.00 0.82 ZN