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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0256) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.4!) USER MOD Single : A 9 THR OG1 : rot -117:sc= 0.24 USER MOD Single : A 13 THR OG1 : rot 58:sc= 0.0432 USER MOD Single : A 16 LYS NZ :NH3+ 126:sc= 1.1 (180deg=0.0437) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 67:sc= 0.325 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 THR OG1 : rot -42:sc= 0.023 USER MOD Single : A 51 ASN : amide:sc= -0.164 K(o=-0.16,f=-4.2!) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= 1.11 (180deg=-0.871) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 67 SER OG : rot -17:sc= 0.0148 USER MOD Single : A 69 SER OG : rot -42:sc= 0.534 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.632 -31.703 -4.293 1.00 16.57 N ATOM 2 CA MET A 1 29.788 -33.137 -4.610 1.00 16.76 C ATOM 3 C MET A 1 29.095 -33.491 -5.918 1.00 16.82 C ATOM 4 O MET A 1 29.795 -33.851 -6.855 1.00 17.86 O ATOM 5 CB MET A 1 29.342 -34.052 -3.464 1.00 16.44 C ATOM 6 CG MET A 1 30.422 -34.082 -2.379 1.00 16.95 C ATOM 7 SD MET A 1 29.992 -35.042 -0.905 1.00 16.61 S ATOM 8 CE MET A 1 30.177 -36.733 -1.534 1.00 17.46 C ATOM 0 H1 MET A 1 30.211 -31.466 -3.462 1.00 16.57 H new ATOM 0 H2 MET A 1 29.942 -31.132 -5.105 1.00 16.57 H new ATOM 0 H3 MET A 1 28.633 -31.500 -4.088 1.00 16.57 H new ATOM 0 HA MET A 1 30.856 -33.314 -4.739 1.00 16.76 H new ATOM 0 HB2 MET A 1 28.401 -33.694 -3.045 1.00 16.44 H new ATOM 0 HB3 MET A 1 29.161 -35.059 -3.839 1.00 16.44 H new ATOM 0 HG2 MET A 1 31.337 -34.491 -2.808 1.00 16.95 H new ATOM 0 HG3 MET A 1 30.642 -33.058 -2.077 1.00 16.95 H new ATOM 0 HE1 MET A 1 29.946 -37.444 -0.741 1.00 17.46 H new ATOM 0 HE2 MET A 1 29.494 -36.887 -2.370 1.00 17.46 H new ATOM 0 HE3 MET A 1 31.202 -36.886 -1.870 1.00 17.46 H new ATOM 20 N LYS A 2 27.760 -33.396 -6.013 1.00 15.94 N ATOM 21 CA LYS A 2 27.054 -33.786 -7.228 1.00 16.27 C ATOM 22 C LYS A 2 26.330 -32.565 -7.782 1.00 15.73 C ATOM 23 O LYS A 2 26.856 -31.908 -8.673 1.00 16.35 O ATOM 24 CB LYS A 2 26.161 -35.008 -6.949 1.00 16.39 C ATOM 25 CG LYS A 2 25.865 -35.785 -8.236 1.00 17.38 C ATOM 26 CD LYS A 2 25.001 -37.014 -7.929 1.00 17.68 C ATOM 27 CE LYS A 2 25.019 -37.974 -9.123 1.00 19.01 C ATOM 28 NZ LYS A 2 24.169 -39.162 -8.890 1.00 19.32 N ATOM 0 H LYS A 2 27.157 -33.054 -5.265 1.00 15.94 H new ATOM 0 HA LYS A 2 27.739 -34.116 -8.009 1.00 16.27 H new ATOM 0 HB2 LYS A 2 26.652 -35.664 -6.230 1.00 16.39 H new ATOM 0 HB3 LYS A 2 25.225 -34.682 -6.495 1.00 16.39 H new ATOM 0 HG2 LYS A 2 25.351 -35.140 -8.948 1.00 17.38 H new ATOM 0 HG3 LYS A 2 26.799 -36.096 -8.704 1.00 17.38 H new ATOM 0 HD2 LYS A 2 25.375 -37.520 -7.039 1.00 17.68 H new ATOM 0 HD3 LYS A 2 23.978 -36.706 -7.714 1.00 17.68 H new ATOM 0 HE2 LYS A 2 24.674 -37.450 -10.015 1.00 19.01 H new ATOM 0 HE3 LYS A 2 26.043 -38.293 -9.317 1.00 19.01 H new ATOM 0 HZ1 LYS A 2 24.209 -39.786 -9.721 1.00 19.32 H new ATOM 0 HZ2 LYS A 2 24.513 -39.676 -8.054 1.00 19.32 H new ATOM 0 HZ3 LYS A 2 23.187 -38.860 -8.731 1.00 19.32 H new ATOM 42 N GLN A 3 25.178 -32.209 -7.217 1.00 14.78 N ATOM 43 CA GLN A 3 24.469 -30.993 -7.573 1.00 14.20 C ATOM 44 C GLN A 3 23.662 -30.554 -6.364 1.00 13.09 C ATOM 45 O GLN A 3 23.145 -31.399 -5.637 1.00 13.16 O ATOM 46 CB GLN A 3 23.598 -31.244 -8.809 1.00 14.86 C ATOM 47 CG GLN A 3 22.504 -32.315 -8.613 1.00 14.75 C ATOM 48 CD GLN A 3 22.602 -33.515 -9.556 1.00 15.89 C ATOM 49 OE1 GLN A 3 23.261 -33.495 -10.587 1.00 16.76 O ATOM 50 NE2 GLN A 3 21.931 -34.607 -9.215 1.00 16.23 N ATOM 0 H GLN A 3 24.713 -32.762 -6.497 1.00 14.78 H new ATOM 0 HA GLN A 3 25.158 -30.191 -7.838 1.00 14.20 H new ATOM 0 HB2 GLN A 3 23.124 -30.307 -9.100 1.00 14.86 H new ATOM 0 HB3 GLN A 3 24.241 -31.546 -9.636 1.00 14.86 H new ATOM 0 HG2 GLN A 3 22.548 -32.675 -7.585 1.00 14.75 H new ATOM 0 HG3 GLN A 3 21.529 -31.846 -8.745 1.00 14.75 H new ATOM 0 HE21 GLN A 3 21.383 -34.621 -8.355 1.00 16.23 H new ATOM 0 HE22 GLN A 3 21.963 -35.433 -9.813 1.00 16.23 H new ATOM 59 N ASP A 4 23.584 -29.246 -6.142 1.00 12.38 N ATOM 60 CA ASP A 4 22.695 -28.658 -5.162 1.00 11.48 C ATOM 61 C ASP A 4 22.499 -27.210 -5.592 1.00 11.16 C ATOM 62 O ASP A 4 23.460 -26.445 -5.637 1.00 11.66 O ATOM 63 CB ASP A 4 23.295 -28.749 -3.754 1.00 11.29 C ATOM 64 CG ASP A 4 22.253 -28.406 -2.693 1.00 11.02 C ATOM 65 OD1 ASP A 4 21.187 -27.881 -3.084 1.00 11.10 O ATOM 66 OD2 ASP A 4 22.530 -28.705 -1.511 1.00 11.23 O ATOM 0 H ASP A 4 24.146 -28.561 -6.647 1.00 12.38 H new ATOM 0 HA ASP A 4 21.742 -29.185 -5.118 1.00 11.48 H new ATOM 0 HB2 ASP A 4 23.677 -29.755 -3.582 1.00 11.29 H new ATOM 0 HB3 ASP A 4 24.142 -28.068 -3.671 1.00 11.29 H new ATOM 71 N GLY A 5 21.287 -26.860 -6.013 1.00 10.60 N ATOM 72 CA GLY A 5 20.947 -25.506 -6.408 1.00 10.28 C ATOM 73 C GLY A 5 19.446 -25.406 -6.651 1.00 9.48 C ATOM 74 O GLY A 5 18.853 -26.327 -7.208 1.00 9.69 O ATOM 0 H GLY A 5 20.510 -27.517 -6.088 1.00 10.60 H new ATOM 0 HA2 GLY A 5 21.247 -24.803 -5.631 1.00 10.28 H new ATOM 0 HA3 GLY A 5 21.491 -25.233 -7.312 1.00 10.28 H new ATOM 78 N GLU A 6 18.837 -24.294 -6.241 1.00 8.76 N ATOM 79 CA GLU A 6 17.430 -23.993 -6.450 1.00 8.06 C ATOM 80 C GLU A 6 17.298 -22.466 -6.399 1.00 7.57 C ATOM 81 O GLU A 6 18.266 -21.783 -6.062 1.00 7.93 O ATOM 82 CB GLU A 6 16.588 -24.685 -5.364 1.00 7.71 C ATOM 83 CG GLU A 6 15.209 -25.081 -5.906 1.00 8.22 C ATOM 84 CD GLU A 6 14.395 -25.858 -4.868 1.00 8.25 C ATOM 85 OE1 GLU A 6 14.025 -27.014 -5.174 1.00 8.93 O ATOM 86 OE2 GLU A 6 14.142 -25.281 -3.787 1.00 8.00 O ATOM 0 H GLU A 6 19.330 -23.556 -5.738 1.00 8.76 H new ATOM 0 HA GLU A 6 17.067 -24.361 -7.409 1.00 8.06 H new ATOM 0 HB2 GLU A 6 17.110 -25.572 -5.005 1.00 7.71 H new ATOM 0 HB3 GLU A 6 16.469 -24.017 -4.511 1.00 7.71 H new ATOM 0 HG2 GLU A 6 14.663 -24.185 -6.201 1.00 8.22 H new ATOM 0 HG3 GLU A 6 15.331 -25.689 -6.802 1.00 8.22 H new ATOM 93 N GLU A 7 16.136 -21.906 -6.730 1.00 6.96 N ATOM 94 CA GLU A 7 15.932 -20.465 -6.682 1.00 6.52 C ATOM 95 C GLU A 7 14.450 -20.172 -6.436 1.00 5.58 C ATOM 96 O GLU A 7 13.668 -21.098 -6.226 1.00 5.51 O ATOM 97 CB GLU A 7 16.447 -19.814 -7.979 1.00 7.13 C ATOM 98 CG GLU A 7 17.350 -18.621 -7.639 1.00 7.75 C ATOM 99 CD GLU A 7 17.886 -17.936 -8.897 1.00 8.84 C ATOM 100 OE1 GLU A 7 17.042 -17.450 -9.680 1.00 9.58 O ATOM 101 OE2 GLU A 7 19.126 -17.892 -9.051 1.00 9.29 O ATOM 0 H GLU A 7 15.319 -22.434 -7.036 1.00 6.96 H new ATOM 0 HA GLU A 7 16.501 -20.033 -5.859 1.00 6.52 H new ATOM 0 HB2 GLU A 7 17.001 -20.545 -8.568 1.00 7.13 H new ATOM 0 HB3 GLU A 7 15.607 -19.483 -8.589 1.00 7.13 H new ATOM 0 HG2 GLU A 7 16.790 -17.900 -7.043 1.00 7.75 H new ATOM 0 HG3 GLU A 7 18.185 -18.961 -7.026 1.00 7.75 H new ATOM 108 N GLY A 8 14.064 -18.892 -6.440 1.00 5.15 N ATOM 109 CA GLY A 8 12.687 -18.478 -6.219 1.00 4.52 C ATOM 110 C GLY A 8 11.944 -18.353 -7.546 1.00 4.32 C ATOM 111 O GLY A 8 12.054 -19.215 -8.416 1.00 4.95 O ATOM 0 H GLY A 8 14.706 -18.115 -6.598 1.00 5.15 H new ATOM 0 HA2 GLY A 8 12.182 -19.202 -5.580 1.00 4.52 H new ATOM 0 HA3 GLY A 8 12.669 -17.523 -5.694 1.00 4.52 H new ATOM 115 N THR A 9 11.155 -17.293 -7.711 1.00 3.98 N ATOM 116 CA THR A 9 10.408 -17.066 -8.931 1.00 4.38 C ATOM 117 C THR A 9 10.173 -15.558 -9.039 1.00 3.98 C ATOM 118 O THR A 9 10.963 -14.782 -8.502 1.00 3.91 O ATOM 119 CB THR A 9 9.140 -17.941 -8.907 1.00 5.24 C ATOM 120 OG1 THR A 9 8.476 -17.903 -10.153 1.00 6.18 O ATOM 121 CG2 THR A 9 8.167 -17.546 -7.797 1.00 5.40 C ATOM 0 H THR A 9 11.021 -16.573 -7.001 1.00 3.98 H new ATOM 0 HA THR A 9 10.937 -17.366 -9.835 1.00 4.38 H new ATOM 0 HB THR A 9 9.478 -18.957 -8.703 1.00 5.24 H new ATOM 0 HG1 THR A 9 7.586 -17.509 -10.038 1.00 6.18 H new ATOM 0 HG21 THR A 9 7.294 -18.197 -7.830 1.00 5.40 H new ATOM 0 HG22 THR A 9 8.658 -17.647 -6.829 1.00 5.40 H new ATOM 0 HG23 THR A 9 7.854 -16.512 -7.939 1.00 5.40 H new ATOM 129 N GLU A 10 9.115 -15.142 -9.729 1.00 4.35 N ATOM 130 CA GLU A 10 8.727 -13.750 -9.870 1.00 4.22 C ATOM 131 C GLU A 10 8.575 -13.113 -8.484 1.00 3.30 C ATOM 132 O GLU A 10 7.783 -13.598 -7.677 1.00 3.61 O ATOM 133 CB GLU A 10 7.393 -13.721 -10.629 1.00 5.26 C ATOM 134 CG GLU A 10 7.140 -12.387 -11.334 1.00 5.72 C ATOM 135 CD GLU A 10 7.977 -12.287 -12.609 1.00 6.66 C ATOM 136 OE1 GLU A 10 7.403 -12.504 -13.699 1.00 7.58 O ATOM 137 OE2 GLU A 10 9.193 -12.026 -12.469 1.00 6.87 O ATOM 0 H GLU A 10 8.490 -15.784 -10.217 1.00 4.35 H new ATOM 0 HA GLU A 10 9.482 -13.185 -10.416 1.00 4.22 H new ATOM 0 HB2 GLU A 10 7.382 -14.524 -11.366 1.00 5.26 H new ATOM 0 HB3 GLU A 10 6.579 -13.918 -9.931 1.00 5.26 H new ATOM 0 HG2 GLU A 10 6.082 -12.293 -11.578 1.00 5.72 H new ATOM 0 HG3 GLU A 10 7.387 -11.563 -10.665 1.00 5.72 H new ATOM 144 N GLU A 11 9.311 -12.040 -8.185 1.00 2.78 N ATOM 145 CA GLU A 11 9.141 -11.351 -6.915 1.00 2.04 C ATOM 146 C GLU A 11 9.535 -9.882 -7.076 1.00 1.98 C ATOM 147 O GLU A 11 10.711 -9.537 -7.004 1.00 2.48 O ATOM 148 CB GLU A 11 9.973 -12.030 -5.809 1.00 2.11 C ATOM 149 CG GLU A 11 9.359 -11.717 -4.437 1.00 2.37 C ATOM 150 CD GLU A 11 10.409 -11.435 -3.360 1.00 2.85 C ATOM 151 OE1 GLU A 11 11.170 -12.360 -3.012 1.00 3.37 O ATOM 152 OE2 GLU A 11 10.423 -10.269 -2.893 1.00 3.66 O ATOM 0 H GLU A 11 10.019 -11.638 -8.799 1.00 2.78 H new ATOM 0 HA GLU A 11 8.094 -11.404 -6.616 1.00 2.04 H new ATOM 0 HB2 GLU A 11 9.999 -13.108 -5.970 1.00 2.11 H new ATOM 0 HB3 GLU A 11 11.004 -11.677 -5.847 1.00 2.11 H new ATOM 0 HG2 GLU A 11 8.700 -10.853 -4.529 1.00 2.37 H new ATOM 0 HG3 GLU A 11 8.741 -12.558 -4.122 1.00 2.37 H new ATOM 159 N ASP A 12 8.567 -8.988 -7.275 1.00 1.75 N ATOM 160 CA ASP A 12 8.836 -7.560 -7.312 1.00 1.73 C ATOM 161 C ASP A 12 7.531 -6.863 -6.959 1.00 1.53 C ATOM 162 O ASP A 12 6.493 -7.284 -7.460 1.00 1.82 O ATOM 163 CB ASP A 12 9.348 -7.100 -8.682 1.00 2.22 C ATOM 164 CG ASP A 12 10.073 -5.762 -8.528 1.00 2.46 C ATOM 165 OD1 ASP A 12 9.975 -5.187 -7.415 1.00 2.71 O ATOM 166 OD2 ASP A 12 10.736 -5.348 -9.503 1.00 3.29 O ATOM 0 H ASP A 12 7.587 -9.234 -7.413 1.00 1.75 H new ATOM 0 HA ASP A 12 9.626 -7.310 -6.604 1.00 1.73 H new ATOM 0 HB2 ASP A 12 10.023 -7.847 -9.100 1.00 2.22 H new ATOM 0 HB3 ASP A 12 8.516 -6.998 -9.378 1.00 2.22 H new ATOM 171 N THR A 13 7.585 -5.904 -6.029 1.00 1.35 N ATOM 172 CA THR A 13 6.476 -5.228 -5.347 1.00 1.14 C ATOM 173 C THR A 13 5.113 -5.896 -5.579 1.00 1.13 C ATOM 174 O THR A 13 4.220 -5.276 -6.151 1.00 1.26 O ATOM 175 CB THR A 13 6.450 -3.743 -5.744 1.00 1.44 C ATOM 176 OG1 THR A 13 6.406 -3.602 -7.145 1.00 2.51 O ATOM 177 CG2 THR A 13 7.684 -3.013 -5.209 1.00 2.51 C ATOM 0 H THR A 13 8.485 -5.550 -5.706 1.00 1.35 H new ATOM 0 HA THR A 13 6.658 -5.314 -4.276 1.00 1.14 H new ATOM 0 HB THR A 13 5.554 -3.303 -5.307 1.00 1.44 H new ATOM 0 HG1 THR A 13 5.615 -4.063 -7.495 1.00 2.51 H new ATOM 0 HG21 THR A 13 7.642 -1.964 -5.503 1.00 2.51 H new ATOM 0 HG22 THR A 13 7.706 -3.084 -4.122 1.00 2.51 H new ATOM 0 HG23 THR A 13 8.584 -3.470 -5.621 1.00 2.51 H new ATOM 185 N GLU A 14 4.974 -7.151 -5.144 1.00 1.06 N ATOM 186 CA GLU A 14 3.841 -7.999 -5.511 1.00 1.05 C ATOM 187 C GLU A 14 2.806 -7.974 -4.389 1.00 0.97 C ATOM 188 O GLU A 14 1.744 -7.393 -4.539 1.00 1.18 O ATOM 189 CB GLU A 14 4.331 -9.425 -5.823 1.00 1.07 C ATOM 190 CG GLU A 14 3.863 -9.914 -7.199 1.00 1.33 C ATOM 191 CD GLU A 14 2.339 -9.970 -7.316 1.00 2.58 C ATOM 192 OE1 GLU A 14 1.773 -11.015 -6.931 1.00 3.34 O ATOM 193 OE2 GLU A 14 1.768 -8.970 -7.805 1.00 3.98 O ATOM 0 H GLU A 14 5.646 -7.607 -4.527 1.00 1.06 H new ATOM 0 HA GLU A 14 3.363 -7.619 -6.414 1.00 1.05 H new ATOM 0 HB2 GLU A 14 5.420 -9.449 -5.782 1.00 1.07 H new ATOM 0 HB3 GLU A 14 3.968 -10.108 -5.055 1.00 1.07 H new ATOM 0 HG2 GLU A 14 4.259 -9.252 -7.970 1.00 1.33 H new ATOM 0 HG3 GLU A 14 4.275 -10.905 -7.388 1.00 1.33 H new ATOM 200 N GLU A 15 3.115 -8.542 -3.223 1.00 0.80 N ATOM 201 CA GLU A 15 2.242 -8.426 -2.063 1.00 0.79 C ATOM 202 C GLU A 15 3.122 -8.262 -0.826 1.00 0.62 C ATOM 203 O GLU A 15 3.287 -9.170 -0.012 1.00 0.58 O ATOM 204 CB GLU A 15 1.308 -9.634 -1.944 1.00 0.97 C ATOM 205 CG GLU A 15 0.128 -9.539 -2.921 1.00 2.14 C ATOM 206 CD GLU A 15 -0.945 -10.575 -2.594 1.00 2.59 C ATOM 207 OE1 GLU A 15 -2.083 -10.408 -3.088 1.00 3.49 O ATOM 208 OE2 GLU A 15 -0.627 -11.501 -1.814 1.00 3.05 O ATOM 0 H GLU A 15 3.963 -9.085 -3.061 1.00 0.80 H new ATOM 0 HA GLU A 15 1.595 -7.555 -2.168 1.00 0.79 H new ATOM 0 HB2 GLU A 15 1.869 -10.548 -2.139 1.00 0.97 H new ATOM 0 HB3 GLU A 15 0.931 -9.703 -0.924 1.00 0.97 H new ATOM 0 HG2 GLU A 15 -0.303 -8.539 -2.878 1.00 2.14 H new ATOM 0 HG3 GLU A 15 0.484 -9.689 -3.940 1.00 2.14 H new ATOM 215 N LYS A 16 3.726 -7.082 -0.705 1.00 0.65 N ATOM 216 CA LYS A 16 4.687 -6.773 0.346 1.00 0.56 C ATOM 217 C LYS A 16 4.237 -5.460 0.987 1.00 0.53 C ATOM 218 O LYS A 16 4.306 -4.415 0.350 1.00 0.61 O ATOM 219 CB LYS A 16 6.101 -6.702 -0.266 1.00 0.67 C ATOM 220 CG LYS A 16 6.397 -7.974 -1.084 1.00 0.81 C ATOM 221 CD LYS A 16 7.855 -8.194 -1.510 1.00 1.08 C ATOM 222 CE LYS A 16 8.214 -7.434 -2.792 1.00 1.31 C ATOM 223 NZ LYS A 16 9.466 -7.954 -3.390 1.00 1.66 N ATOM 0 H LYS A 16 3.558 -6.305 -1.344 1.00 0.65 H new ATOM 0 HA LYS A 16 4.728 -7.540 1.119 1.00 0.56 H new ATOM 0 HB2 LYS A 16 6.184 -5.823 -0.906 1.00 0.67 H new ATOM 0 HB3 LYS A 16 6.842 -6.591 0.526 1.00 0.67 H new ATOM 0 HG2 LYS A 16 6.079 -8.837 -0.499 1.00 0.81 H new ATOM 0 HG3 LYS A 16 5.779 -7.953 -1.982 1.00 0.81 H new ATOM 0 HD2 LYS A 16 8.517 -7.875 -0.705 1.00 1.08 H new ATOM 0 HD3 LYS A 16 8.029 -9.259 -1.662 1.00 1.08 H new ATOM 0 HE2 LYS A 16 7.400 -7.524 -3.511 1.00 1.31 H new ATOM 0 HE3 LYS A 16 8.327 -6.373 -2.569 1.00 1.31 H new ATOM 0 HZ1 LYS A 16 9.296 -8.212 -4.383 1.00 1.66 H new ATOM 0 HZ2 LYS A 16 10.203 -7.222 -3.344 1.00 1.66 H new ATOM 0 HZ3 LYS A 16 9.779 -8.794 -2.863 1.00 1.66 H new ATOM 237 N CYS A 17 3.720 -5.518 2.217 1.00 0.47 N ATOM 238 CA CYS A 17 3.296 -4.361 2.997 1.00 0.48 C ATOM 239 C CYS A 17 4.558 -3.567 3.331 1.00 0.52 C ATOM 240 O CYS A 17 5.306 -3.934 4.236 1.00 0.60 O ATOM 241 CB CYS A 17 2.620 -4.880 4.285 1.00 0.47 C ATOM 242 SG CYS A 17 2.081 -3.558 5.427 1.00 0.68 S ATOM 0 H CYS A 17 3.582 -6.401 2.709 1.00 0.47 H new ATOM 0 HA CYS A 17 2.591 -3.728 2.459 1.00 0.48 H new ATOM 0 HB2 CYS A 17 1.755 -5.484 4.011 1.00 0.47 H new ATOM 0 HB3 CYS A 17 3.315 -5.537 4.808 1.00 0.47 H new ATOM 247 N THR A 18 4.791 -2.434 2.662 1.00 0.53 N ATOM 248 CA THR A 18 5.981 -1.650 2.969 1.00 0.62 C ATOM 249 C THR A 18 5.634 -0.607 4.036 1.00 0.62 C ATOM 250 O THR A 18 6.315 0.410 4.150 1.00 0.72 O ATOM 251 CB THR A 18 6.582 -1.037 1.694 1.00 0.78 C ATOM 252 OG1 THR A 18 5.790 0.037 1.252 1.00 1.15 O ATOM 253 CG2 THR A 18 6.727 -2.055 0.554 1.00 0.86 C ATOM 0 H THR A 18 4.192 -2.052 1.930 1.00 0.53 H new ATOM 0 HA THR A 18 6.758 -2.296 3.378 1.00 0.62 H new ATOM 0 HB THR A 18 7.581 -0.691 1.958 1.00 0.78 H new ATOM 0 HG1 THR A 18 6.183 0.421 0.440 1.00 1.15 H new ATOM 0 HG21 THR A 18 7.156 -1.564 -0.319 1.00 0.86 H new ATOM 0 HG22 THR A 18 7.381 -2.867 0.872 1.00 0.86 H new ATOM 0 HG23 THR A 18 5.747 -2.457 0.299 1.00 0.86 H new ATOM 261 N ILE A 19 4.560 -0.840 4.799 1.00 0.62 N ATOM 262 CA ILE A 19 4.130 0.011 5.892 1.00 0.66 C ATOM 263 C ILE A 19 4.624 -0.616 7.191 1.00 0.68 C ATOM 264 O ILE A 19 5.403 -0.007 7.918 1.00 0.76 O ATOM 265 CB ILE A 19 2.600 0.151 5.879 1.00 0.71 C ATOM 266 CG1 ILE A 19 2.126 0.510 4.460 1.00 0.74 C ATOM 267 CG2 ILE A 19 2.218 1.175 6.957 1.00 0.79 C ATOM 268 CD1 ILE A 19 0.881 1.363 4.424 1.00 0.85 C ATOM 0 H ILE A 19 3.956 -1.650 4.662 1.00 0.62 H new ATOM 0 HA ILE A 19 4.545 1.014 5.792 1.00 0.66 H new ATOM 0 HB ILE A 19 2.094 -0.783 6.123 1.00 0.71 H new ATOM 0 HG12 ILE A 19 2.929 1.035 3.942 1.00 0.74 H new ATOM 0 HG13 ILE A 19 1.939 -0.411 3.907 1.00 0.74 H new ATOM 0 HG21 ILE A 19 1.135 1.298 6.974 1.00 0.79 H new ATOM 0 HG22 ILE A 19 2.559 0.823 7.931 1.00 0.79 H new ATOM 0 HG23 ILE A 19 2.689 2.132 6.733 1.00 0.79 H new ATOM 0 HD11 ILE A 19 0.613 1.572 3.388 1.00 0.85 H new ATOM 0 HD12 ILE A 19 0.063 0.833 4.911 1.00 0.85 H new ATOM 0 HD13 ILE A 19 1.067 2.301 4.947 1.00 0.85 H new ATOM 280 N CYS A 20 4.165 -1.844 7.455 1.00 0.68 N ATOM 281 CA CYS A 20 4.563 -2.669 8.583 1.00 0.76 C ATOM 282 C CYS A 20 5.816 -3.485 8.241 1.00 0.75 C ATOM 283 O CYS A 20 6.208 -4.346 9.026 1.00 0.94 O ATOM 284 CB CYS A 20 3.406 -3.629 8.906 1.00 0.88 C ATOM 285 SG CYS A 20 2.926 -4.626 7.456 1.00 1.33 S ATOM 0 H CYS A 20 3.477 -2.303 6.858 1.00 0.68 H new ATOM 0 HA CYS A 20 4.790 -2.032 9.438 1.00 0.76 H new ATOM 0 HB2 CYS A 20 3.700 -4.291 9.721 1.00 0.88 H new ATOM 0 HB3 CYS A 20 2.546 -3.057 9.254 1.00 0.88 H new ATOM 290 N LEU A 21 6.433 -3.236 7.077 1.00 0.66 N ATOM 291 CA LEU A 21 7.636 -3.913 6.612 1.00 0.75 C ATOM 292 C LEU A 21 7.488 -5.423 6.775 1.00 0.80 C ATOM 293 O LEU A 21 8.284 -6.073 7.447 1.00 0.98 O ATOM 294 CB LEU A 21 8.861 -3.340 7.345 1.00 0.93 C ATOM 295 CG LEU A 21 9.168 -1.905 6.894 1.00 1.20 C ATOM 296 CD1 LEU A 21 9.931 -1.153 7.986 1.00 1.48 C ATOM 297 CD2 LEU A 21 10.006 -1.922 5.612 1.00 1.68 C ATOM 0 H LEU A 21 6.092 -2.535 6.419 1.00 0.66 H new ATOM 0 HA LEU A 21 7.785 -3.733 5.547 1.00 0.75 H new ATOM 0 HB2 LEU A 21 8.682 -3.354 8.420 1.00 0.93 H new ATOM 0 HB3 LEU A 21 9.727 -3.974 7.158 1.00 0.93 H new ATOM 0 HG LEU A 21 8.223 -1.397 6.703 1.00 1.20 H new ATOM 0 HD11 LEU A 21 10.141 -0.138 7.650 1.00 1.48 H new ATOM 0 HD12 LEU A 21 9.328 -1.118 8.893 1.00 1.48 H new ATOM 0 HD13 LEU A 21 10.869 -1.667 8.194 1.00 1.48 H new ATOM 0 HD21 LEU A 21 10.217 -0.899 5.302 1.00 1.68 H new ATOM 0 HD22 LEU A 21 10.944 -2.446 5.797 1.00 1.68 H new ATOM 0 HD23 LEU A 21 9.454 -2.433 4.823 1.00 1.68 H new ATOM 309 N SER A 22 6.450 -5.984 6.156 1.00 0.69 N ATOM 310 CA SER A 22 6.169 -7.409 6.195 1.00 0.79 C ATOM 311 C SER A 22 5.642 -7.848 4.832 1.00 0.63 C ATOM 312 O SER A 22 5.184 -7.035 4.036 1.00 0.61 O ATOM 313 CB SER A 22 5.152 -7.705 7.299 1.00 0.97 C ATOM 314 OG SER A 22 5.643 -7.311 8.567 1.00 1.72 O ATOM 0 H SER A 22 5.775 -5.450 5.608 1.00 0.69 H new ATOM 0 HA SER A 22 7.079 -7.966 6.416 1.00 0.79 H new ATOM 0 HB2 SER A 22 4.220 -7.181 7.088 1.00 0.97 H new ATOM 0 HB3 SER A 22 4.923 -8.771 7.310 1.00 0.97 H new ATOM 0 HG SER A 22 5.721 -6.335 8.599 1.00 1.72 H new ATOM 320 N ILE A 23 5.720 -9.142 4.550 1.00 0.68 N ATOM 321 CA ILE A 23 5.260 -9.760 3.315 1.00 0.61 C ATOM 322 C ILE A 23 3.902 -10.404 3.615 1.00 0.65 C ATOM 323 O ILE A 23 3.618 -10.654 4.785 1.00 0.76 O ATOM 324 CB ILE A 23 6.308 -10.797 2.871 1.00 0.72 C ATOM 325 CG1 ILE A 23 7.759 -10.287 2.977 1.00 1.02 C ATOM 326 CG2 ILE A 23 6.010 -11.268 1.449 1.00 0.83 C ATOM 327 CD1 ILE A 23 7.995 -8.961 2.254 1.00 1.36 C ATOM 0 H ILE A 23 6.122 -9.816 5.202 1.00 0.68 H new ATOM 0 HA ILE A 23 5.141 -9.042 2.504 1.00 0.61 H new ATOM 0 HB ILE A 23 6.229 -11.636 3.563 1.00 0.72 H new ATOM 0 HG12 ILE A 23 8.018 -10.169 4.029 1.00 1.02 H new ATOM 0 HG13 ILE A 23 8.431 -11.040 2.566 1.00 1.02 H new ATOM 0 HG21 ILE A 23 6.757 -12.001 1.145 1.00 0.83 H new ATOM 0 HG22 ILE A 23 5.020 -11.723 1.416 1.00 0.83 H new ATOM 0 HG23 ILE A 23 6.040 -10.416 0.770 1.00 0.83 H new ATOM 0 HD11 ILE A 23 9.037 -8.663 2.371 1.00 1.36 H new ATOM 0 HD12 ILE A 23 7.768 -9.079 1.194 1.00 1.36 H new ATOM 0 HD13 ILE A 23 7.348 -8.194 2.680 1.00 1.36 H new ATOM 339 N LEU A 24 3.068 -10.646 2.595 1.00 0.65 N ATOM 340 CA LEU A 24 1.692 -11.101 2.781 1.00 0.76 C ATOM 341 C LEU A 24 1.492 -12.453 2.079 1.00 1.11 C ATOM 342 O LEU A 24 1.709 -13.487 2.703 1.00 1.45 O ATOM 343 CB LEU A 24 0.697 -9.991 2.376 1.00 0.63 C ATOM 344 CG LEU A 24 1.164 -8.566 2.704 1.00 0.63 C ATOM 345 CD1 LEU A 24 0.172 -7.596 2.065 1.00 1.02 C ATOM 346 CD2 LEU A 24 1.295 -8.325 4.207 1.00 1.12 C ATOM 0 H LEU A 24 3.333 -10.530 1.617 1.00 0.65 H new ATOM 0 HA LEU A 24 1.484 -11.288 3.834 1.00 0.76 H new ATOM 0 HB2 LEU A 24 0.511 -10.061 1.304 1.00 0.63 H new ATOM 0 HB3 LEU A 24 -0.254 -10.172 2.877 1.00 0.63 H new ATOM 0 HG LEU A 24 2.164 -8.410 2.299 1.00 0.63 H new ATOM 0 HD11 LEU A 24 0.475 -6.571 2.280 1.00 1.02 H new ATOM 0 HD12 LEU A 24 0.155 -7.751 0.986 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -0.823 -7.772 2.473 1.00 1.02 H new ATOM 0 HD21 LEU A 24 1.628 -7.302 4.384 1.00 1.12 H new ATOM 0 HD22 LEU A 24 0.328 -8.480 4.686 1.00 1.12 H new ATOM 0 HD23 LEU A 24 2.022 -9.021 4.625 1.00 1.12 H new ATOM 358 N GLU A 25 1.176 -12.447 0.779 1.00 1.22 N ATOM 359 CA GLU A 25 1.149 -13.587 -0.137 1.00 1.65 C ATOM 360 C GLU A 25 -0.101 -14.449 0.066 1.00 1.94 C ATOM 361 O GLU A 25 -0.067 -15.487 0.726 1.00 2.17 O ATOM 362 CB GLU A 25 2.453 -14.406 -0.124 1.00 1.89 C ATOM 363 CG GLU A 25 3.704 -13.554 0.068 1.00 2.25 C ATOM 364 CD GLU A 25 4.980 -14.256 -0.397 1.00 2.69 C ATOM 365 OE1 GLU A 25 5.405 -13.972 -1.539 1.00 3.81 O ATOM 366 OE2 GLU A 25 5.542 -15.037 0.405 1.00 2.37 O ATOM 0 H GLU A 25 0.914 -11.581 0.308 1.00 1.22 H new ATOM 0 HA GLU A 25 1.084 -13.174 -1.143 1.00 1.65 H new ATOM 0 HB2 GLU A 25 2.400 -15.146 0.675 1.00 1.89 H new ATOM 0 HB3 GLU A 25 2.537 -14.955 -1.062 1.00 1.89 H new ATOM 0 HG2 GLU A 25 3.589 -12.620 -0.481 1.00 2.25 H new ATOM 0 HG3 GLU A 25 3.802 -13.294 1.122 1.00 2.25 H new ATOM 373 N GLU A 26 -1.209 -14.022 -0.546 1.00 2.55 N ATOM 374 CA GLU A 26 -2.559 -14.508 -0.302 1.00 2.93 C ATOM 375 C GLU A 26 -2.932 -14.383 1.182 1.00 1.82 C ATOM 376 O GLU A 26 -2.168 -13.878 2.002 1.00 2.38 O ATOM 377 CB GLU A 26 -2.754 -15.927 -0.870 1.00 4.29 C ATOM 378 CG GLU A 26 -2.782 -15.920 -2.403 1.00 6.05 C ATOM 379 CD GLU A 26 -3.032 -17.326 -2.957 1.00 7.20 C ATOM 380 OE1 GLU A 26 -4.181 -17.801 -2.810 1.00 7.67 O ATOM 381 OE2 GLU A 26 -2.081 -17.911 -3.523 1.00 8.00 O ATOM 0 H GLU A 26 -1.182 -13.293 -1.259 1.00 2.55 H new ATOM 0 HA GLU A 26 -3.260 -13.873 -0.843 1.00 2.93 H new ATOM 0 HB2 GLU A 26 -1.948 -16.573 -0.523 1.00 4.29 H new ATOM 0 HB3 GLU A 26 -3.685 -16.347 -0.490 1.00 4.29 H new ATOM 0 HG2 GLU A 26 -3.563 -15.244 -2.752 1.00 6.05 H new ATOM 0 HG3 GLU A 26 -1.835 -15.538 -2.785 1.00 6.05 H new ATOM 388 N GLY A 27 -4.151 -14.789 1.543 1.00 1.57 N ATOM 389 CA GLY A 27 -4.600 -14.751 2.925 1.00 2.08 C ATOM 390 C GLY A 27 -5.063 -13.355 3.330 1.00 1.66 C ATOM 391 O GLY A 27 -6.245 -13.153 3.604 1.00 1.81 O ATOM 0 H GLY A 27 -4.845 -15.149 0.888 1.00 1.57 H new ATOM 0 HA2 GLY A 27 -5.417 -15.459 3.062 1.00 2.08 H new ATOM 0 HA3 GLY A 27 -3.789 -15.070 3.580 1.00 2.08 H new ATOM 395 N GLU A 28 -4.140 -12.400 3.416 1.00 1.46 N ATOM 396 CA GLU A 28 -4.435 -11.050 3.862 1.00 1.44 C ATOM 397 C GLU A 28 -4.930 -10.217 2.678 1.00 1.07 C ATOM 398 O GLU A 28 -4.523 -10.434 1.540 1.00 1.34 O ATOM 399 CB GLU A 28 -3.168 -10.452 4.481 1.00 1.98 C ATOM 400 CG GLU A 28 -2.813 -11.180 5.787 1.00 2.60 C ATOM 401 CD GLU A 28 -1.418 -10.800 6.281 1.00 3.52 C ATOM 402 OE1 GLU A 28 -1.360 -9.954 7.203 1.00 4.30 O ATOM 403 OE2 GLU A 28 -0.435 -11.307 5.706 1.00 4.43 O ATOM 0 H GLU A 28 -3.160 -12.547 3.175 1.00 1.46 H new ATOM 0 HA GLU A 28 -5.222 -11.056 4.616 1.00 1.44 H new ATOM 0 HB2 GLU A 28 -2.340 -10.531 3.777 1.00 1.98 H new ATOM 0 HB3 GLU A 28 -3.318 -9.391 4.678 1.00 1.98 H new ATOM 0 HG2 GLU A 28 -3.550 -10.936 6.552 1.00 2.60 H new ATOM 0 HG3 GLU A 28 -2.863 -12.257 5.629 1.00 2.60 H new ATOM 410 N ASP A 29 -5.820 -9.256 2.938 1.00 0.93 N ATOM 411 CA ASP A 29 -6.369 -8.402 1.892 1.00 0.90 C ATOM 412 C ASP A 29 -5.375 -7.283 1.571 1.00 0.74 C ATOM 413 O ASP A 29 -4.652 -6.800 2.451 1.00 0.87 O ATOM 414 CB ASP A 29 -7.728 -7.841 2.337 1.00 1.28 C ATOM 415 CG ASP A 29 -8.388 -6.970 1.262 1.00 2.64 C ATOM 416 OD1 ASP A 29 -9.195 -6.093 1.645 1.00 3.38 O ATOM 417 OD2 ASP A 29 -8.077 -7.180 0.070 1.00 4.03 O ATOM 0 H ASP A 29 -6.175 -9.052 3.872 1.00 0.93 H new ATOM 0 HA ASP A 29 -6.530 -8.983 0.984 1.00 0.90 H new ATOM 0 HB2 ASP A 29 -8.393 -8.667 2.588 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -7.594 -7.252 3.244 1.00 1.28 H new ATOM 422 N VAL A 30 -5.350 -6.853 0.311 1.00 0.72 N ATOM 423 CA VAL A 30 -4.411 -5.871 -0.201 1.00 0.74 C ATOM 424 C VAL A 30 -5.188 -4.781 -0.933 1.00 0.76 C ATOM 425 O VAL A 30 -5.777 -4.982 -1.996 1.00 1.36 O ATOM 426 CB VAL A 30 -3.319 -6.543 -1.051 1.00 0.99 C ATOM 427 CG1 VAL A 30 -2.560 -7.560 -0.193 1.00 1.32 C ATOM 428 CG2 VAL A 30 -3.827 -7.274 -2.300 1.00 1.34 C ATOM 0 H VAL A 30 -6.002 -7.190 -0.397 1.00 0.72 H new ATOM 0 HA VAL A 30 -3.874 -5.391 0.617 1.00 0.74 H new ATOM 0 HB VAL A 30 -2.686 -5.726 -1.397 1.00 0.99 H new ATOM 0 HG11 VAL A 30 -1.786 -8.037 -0.794 1.00 1.32 H new ATOM 0 HG12 VAL A 30 -2.100 -7.050 0.654 1.00 1.32 H new ATOM 0 HG13 VAL A 30 -3.254 -8.317 0.173 1.00 1.32 H new ATOM 0 HG21 VAL A 30 -2.984 -7.714 -2.832 1.00 1.34 H new ATOM 0 HG22 VAL A 30 -4.520 -8.061 -2.004 1.00 1.34 H new ATOM 0 HG23 VAL A 30 -4.339 -6.567 -2.953 1.00 1.34 H new ATOM 438 N ARG A 31 -5.221 -3.586 -0.351 1.00 0.73 N ATOM 439 CA ARG A 31 -5.970 -2.479 -0.918 1.00 0.75 C ATOM 440 C ARG A 31 -5.007 -1.716 -1.820 1.00 0.74 C ATOM 441 O ARG A 31 -4.434 -0.699 -1.435 1.00 1.29 O ATOM 442 CB ARG A 31 -6.582 -1.640 0.216 1.00 0.83 C ATOM 443 CG ARG A 31 -8.001 -1.155 -0.096 1.00 1.18 C ATOM 444 CD ARG A 31 -9.032 -2.296 0.000 1.00 2.62 C ATOM 445 NE ARG A 31 -9.342 -2.917 -1.297 1.00 3.74 N ATOM 446 CZ ARG A 31 -10.144 -2.382 -2.226 1.00 4.27 C ATOM 447 NH1 ARG A 31 -10.450 -3.069 -3.327 1.00 5.86 N ATOM 448 NH2 ARG A 31 -10.646 -1.156 -2.054 1.00 3.93 N ATOM 0 H ARG A 31 -4.734 -3.363 0.517 1.00 0.73 H new ATOM 0 HA ARG A 31 -6.817 -2.800 -1.524 1.00 0.75 H new ATOM 0 HB2 ARG A 31 -6.600 -2.233 1.130 1.00 0.83 H new ATOM 0 HB3 ARG A 31 -5.943 -0.778 0.408 1.00 0.83 H new ATOM 0 HG2 ARG A 31 -8.274 -0.360 0.598 1.00 1.18 H new ATOM 0 HG3 ARG A 31 -8.026 -0.726 -1.098 1.00 1.18 H new ATOM 0 HD2 ARG A 31 -8.654 -3.060 0.679 1.00 2.62 H new ATOM 0 HD3 ARG A 31 -9.952 -1.908 0.437 1.00 2.62 H new ATOM 0 HE ARG A 31 -8.915 -3.820 -1.503 1.00 3.74 H new ATOM 0 HH11 ARG A 31 -10.073 -4.007 -3.464 1.00 5.86 H new ATOM 0 HH12 ARG A 31 -11.061 -2.657 -4.032 1.00 5.86 H new ATOM 0 HH21 ARG A 31 -10.419 -0.625 -1.213 1.00 3.93 H new ATOM 0 HH22 ARG A 31 -11.257 -0.751 -2.763 1.00 3.93 H new ATOM 462 N ARG A 32 -4.757 -2.241 -3.021 1.00 0.82 N ATOM 463 CA ARG A 32 -3.804 -1.591 -3.907 1.00 0.93 C ATOM 464 C ARG A 32 -4.360 -0.241 -4.322 1.00 0.89 C ATOM 465 O ARG A 32 -5.492 -0.134 -4.784 1.00 1.16 O ATOM 466 CB ARG A 32 -3.428 -2.463 -5.110 1.00 1.26 C ATOM 467 CG ARG A 32 -4.580 -2.764 -6.077 1.00 1.56 C ATOM 468 CD ARG A 32 -4.600 -1.813 -7.281 1.00 1.49 C ATOM 469 NE ARG A 32 -5.617 -2.224 -8.259 1.00 1.76 N ATOM 470 CZ ARG A 32 -5.678 -1.790 -9.524 1.00 2.22 C ATOM 471 NH1 ARG A 32 -6.589 -2.295 -10.359 1.00 2.63 N ATOM 472 NH2 ARG A 32 -4.828 -0.855 -9.950 1.00 2.97 N ATOM 0 H ARG A 32 -5.189 -3.088 -3.390 1.00 0.82 H new ATOM 0 HA ARG A 32 -2.870 -1.439 -3.366 1.00 0.93 H new ATOM 0 HB2 ARG A 32 -2.629 -1.968 -5.663 1.00 1.26 H new ATOM 0 HB3 ARG A 32 -3.025 -3.407 -4.744 1.00 1.26 H new ATOM 0 HG2 ARG A 32 -4.494 -3.791 -6.431 1.00 1.56 H new ATOM 0 HG3 ARG A 32 -5.527 -2.689 -5.543 1.00 1.56 H new ATOM 0 HD2 ARG A 32 -4.805 -0.797 -6.943 1.00 1.49 H new ATOM 0 HD3 ARG A 32 -3.619 -1.800 -7.755 1.00 1.49 H new ATOM 0 HE ARG A 32 -6.328 -2.888 -7.952 1.00 1.76 H new ATOM 0 HH11 ARG A 32 -7.238 -3.011 -10.033 1.00 2.63 H new ATOM 0 HH12 ARG A 32 -6.636 -1.965 -11.323 1.00 2.63 H new ATOM 0 HH21 ARG A 32 -4.131 -0.470 -9.312 1.00 2.97 H new ATOM 0 HH22 ARG A 32 -4.875 -0.524 -10.914 1.00 2.97 H new ATOM 486 N LEU A 33 -3.538 0.788 -4.153 1.00 0.83 N ATOM 487 CA LEU A 33 -3.868 2.143 -4.511 1.00 0.85 C ATOM 488 C LEU A 33 -3.974 2.250 -6.032 1.00 1.03 C ATOM 489 O LEU A 33 -3.329 1.478 -6.749 1.00 1.14 O ATOM 490 CB LEU A 33 -2.747 3.060 -3.998 1.00 0.86 C ATOM 491 CG LEU A 33 -2.365 2.841 -2.521 1.00 0.73 C ATOM 492 CD1 LEU A 33 -1.426 3.953 -2.044 1.00 1.85 C ATOM 493 CD2 LEU A 33 -3.576 2.744 -1.591 1.00 1.38 C ATOM 0 H LEU A 33 -2.605 0.691 -3.753 1.00 0.83 H new ATOM 0 HA LEU A 33 -4.820 2.437 -4.069 1.00 0.85 H new ATOM 0 HB2 LEU A 33 -1.861 2.909 -4.615 1.00 0.86 H new ATOM 0 HB3 LEU A 33 -3.055 4.097 -4.130 1.00 0.86 H new ATOM 0 HG LEU A 33 -1.855 1.879 -2.474 1.00 0.73 H new ATOM 0 HD11 LEU A 33 -1.165 3.785 -0.999 1.00 1.85 H new ATOM 0 HD12 LEU A 33 -0.520 3.949 -2.650 1.00 1.85 H new ATOM 0 HD13 LEU A 33 -1.924 4.917 -2.143 1.00 1.85 H new ATOM 0 HD21 LEU A 33 -3.237 2.590 -0.567 1.00 1.38 H new ATOM 0 HD22 LEU A 33 -4.153 3.667 -1.647 1.00 1.38 H new ATOM 0 HD23 LEU A 33 -4.202 1.906 -1.896 1.00 1.38 H new ATOM 505 N PRO A 34 -4.704 3.249 -6.544 1.00 1.13 N ATOM 506 CA PRO A 34 -4.807 3.474 -7.972 1.00 1.33 C ATOM 507 C PRO A 34 -3.456 3.824 -8.602 1.00 1.33 C ATOM 508 O PRO A 34 -3.301 3.614 -9.802 1.00 1.63 O ATOM 509 CB PRO A 34 -5.856 4.577 -8.149 1.00 1.47 C ATOM 510 CG PRO A 34 -5.839 5.317 -6.812 1.00 1.33 C ATOM 511 CD PRO A 34 -5.514 4.209 -5.811 1.00 1.14 C ATOM 0 HA PRO A 34 -5.114 2.568 -8.495 1.00 1.33 H new ATOM 0 HB2 PRO A 34 -5.603 5.240 -8.976 1.00 1.47 H new ATOM 0 HB3 PRO A 34 -6.841 4.161 -8.363 1.00 1.47 H new ATOM 0 HG2 PRO A 34 -5.088 6.107 -6.797 1.00 1.33 H new ATOM 0 HG3 PRO A 34 -6.799 5.786 -6.598 1.00 1.33 H new ATOM 0 HD2 PRO A 34 -4.973 4.603 -4.951 1.00 1.14 H new ATOM 0 HD3 PRO A 34 -6.424 3.745 -5.430 1.00 1.14 H new ATOM 519 N CYS A 35 -2.457 4.284 -7.832 1.00 1.05 N ATOM 520 CA CYS A 35 -1.160 4.646 -8.400 1.00 1.09 C ATOM 521 C CYS A 35 -0.125 3.579 -8.028 1.00 0.99 C ATOM 522 O CYS A 35 1.007 3.887 -7.619 1.00 0.93 O ATOM 523 CB CYS A 35 -0.797 6.078 -7.977 1.00 1.21 C ATOM 524 SG CYS A 35 0.036 6.204 -6.364 1.00 1.27 S ATOM 0 H CYS A 35 -2.527 4.411 -6.822 1.00 1.05 H new ATOM 0 HA CYS A 35 -1.189 4.661 -9.490 1.00 1.09 H new ATOM 0 HB2 CYS A 35 -0.152 6.515 -8.739 1.00 1.21 H new ATOM 0 HB3 CYS A 35 -1.708 6.676 -7.948 1.00 1.21 H new ATOM 529 N MET A 36 -0.554 2.322 -8.180 1.00 1.28 N ATOM 530 CA MET A 36 0.221 1.100 -8.081 1.00 1.51 C ATOM 531 C MET A 36 1.285 1.173 -6.999 1.00 1.40 C ATOM 532 O MET A 36 2.458 1.426 -7.254 1.00 1.45 O ATOM 533 CB MET A 36 0.810 0.729 -9.445 1.00 1.79 C ATOM 534 CG MET A 36 -0.318 0.409 -10.426 1.00 2.02 C ATOM 535 SD MET A 36 0.251 -0.065 -12.075 1.00 2.60 S ATOM 536 CE MET A 36 -1.357 -0.342 -12.856 1.00 2.88 C ATOM 0 H MET A 36 -1.532 2.127 -8.392 1.00 1.28 H new ATOM 0 HA MET A 36 -0.457 0.302 -7.777 1.00 1.51 H new ATOM 0 HB2 MET A 36 1.414 1.552 -9.827 1.00 1.79 H new ATOM 0 HB3 MET A 36 1.472 -0.131 -9.344 1.00 1.79 H new ATOM 0 HG2 MET A 36 -0.923 -0.399 -10.016 1.00 2.02 H new ATOM 0 HG3 MET A 36 -0.967 1.280 -10.514 1.00 2.02 H new ATOM 0 HE1 MET A 36 -1.211 -0.646 -13.892 1.00 2.88 H new ATOM 0 HE2 MET A 36 -1.892 -1.126 -12.320 1.00 2.88 H new ATOM 0 HE3 MET A 36 -1.939 0.579 -12.827 1.00 2.88 H new ATOM 546 N HIS A 37 0.836 0.971 -5.766 1.00 1.37 N ATOM 547 CA HIS A 37 1.663 1.230 -4.600 1.00 1.52 C ATOM 548 C HIS A 37 1.588 0.120 -3.559 1.00 2.09 C ATOM 549 O HIS A 37 2.521 -0.029 -2.784 1.00 3.94 O ATOM 550 CB HIS A 37 1.240 2.564 -4.002 1.00 1.18 C ATOM 551 CG HIS A 37 2.394 3.495 -3.836 1.00 1.95 C ATOM 552 ND1 HIS A 37 2.742 4.530 -4.702 1.00 1.85 N ATOM 553 CD2 HIS A 37 3.246 3.472 -2.770 1.00 3.00 C ATOM 554 CE1 HIS A 37 3.751 5.156 -4.084 1.00 2.92 C ATOM 555 NE2 HIS A 37 4.098 4.536 -2.941 1.00 3.62 N ATOM 0 H HIS A 37 -0.100 0.627 -5.550 1.00 1.37 H new ATOM 0 HA HIS A 37 2.705 1.265 -4.918 1.00 1.52 H new ATOM 0 HB2 HIS A 37 0.490 3.027 -4.644 1.00 1.18 H new ATOM 0 HB3 HIS A 37 0.770 2.394 -3.034 1.00 1.18 H new ATOM 0 HD2 HIS A 37 3.250 2.761 -1.957 1.00 3.00 H new ATOM 0 HE1 HIS A 37 4.229 6.050 -4.457 1.00 2.92 H new ATOM 0 HE2 HIS A 37 4.856 4.807 -2.315 1.00 3.62 H new ATOM 563 N LEU A 38 0.492 -0.647 -3.580 1.00 1.29 N ATOM 564 CA LEU A 38 0.317 -1.920 -2.905 1.00 1.21 C ATOM 565 C LEU A 38 0.512 -1.858 -1.395 1.00 1.18 C ATOM 566 O LEU A 38 1.620 -1.958 -0.876 1.00 1.59 O ATOM 567 CB LEU A 38 1.194 -2.966 -3.598 1.00 2.04 C ATOM 568 CG LEU A 38 0.405 -4.250 -3.872 1.00 1.08 C ATOM 569 CD1 LEU A 38 0.854 -4.785 -5.226 1.00 2.62 C ATOM 570 CD2 LEU A 38 0.579 -5.229 -2.719 1.00 2.08 C ATOM 0 H LEU A 38 -0.340 -0.372 -4.102 1.00 1.29 H new ATOM 0 HA LEU A 38 -0.727 -2.218 -2.998 1.00 1.21 H new ATOM 0 HB2 LEU A 38 1.575 -2.562 -4.536 1.00 2.04 H new ATOM 0 HB3 LEU A 38 2.058 -3.192 -2.974 1.00 2.04 H new ATOM 0 HG LEU A 38 -0.668 -4.069 -3.927 1.00 1.08 H new ATOM 0 HD11 LEU A 38 0.310 -5.702 -5.453 1.00 2.62 H new ATOM 0 HD12 LEU A 38 0.650 -4.042 -5.997 1.00 2.62 H new ATOM 0 HD13 LEU A 38 1.923 -4.995 -5.198 1.00 2.62 H new ATOM 0 HD21 LEU A 38 0.014 -6.138 -2.925 1.00 2.08 H new ATOM 0 HD22 LEU A 38 1.635 -5.476 -2.607 1.00 2.08 H new ATOM 0 HD23 LEU A 38 0.213 -4.775 -1.798 1.00 2.08 H new ATOM 582 N PHE A 39 -0.600 -1.753 -0.671 1.00 1.00 N ATOM 583 CA PHE A 39 -0.573 -1.680 0.768 1.00 1.34 C ATOM 584 C PHE A 39 -1.621 -2.635 1.323 1.00 1.34 C ATOM 585 O PHE A 39 -2.640 -2.927 0.700 1.00 2.47 O ATOM 586 CB PHE A 39 -0.797 -0.236 1.237 1.00 1.60 C ATOM 587 CG PHE A 39 0.295 0.772 0.901 1.00 1.77 C ATOM 588 CD1 PHE A 39 -0.052 2.102 0.594 1.00 2.62 C ATOM 589 CD2 PHE A 39 1.657 0.430 1.008 1.00 2.04 C ATOM 590 CE1 PHE A 39 0.946 3.076 0.405 1.00 2.90 C ATOM 591 CE2 PHE A 39 2.652 1.401 0.808 1.00 2.42 C ATOM 592 CZ PHE A 39 2.300 2.729 0.522 1.00 2.53 C ATOM 0 H PHE A 39 -1.536 -1.717 -1.074 1.00 1.00 H new ATOM 0 HA PHE A 39 0.405 -1.981 1.144 1.00 1.34 H new ATOM 0 HB2 PHE A 39 -1.733 0.120 0.806 1.00 1.60 H new ATOM 0 HB3 PHE A 39 -0.928 -0.247 2.319 1.00 1.60 H new ATOM 0 HD1 PHE A 39 -1.093 2.377 0.503 1.00 2.62 H new ATOM 0 HD2 PHE A 39 1.938 -0.585 1.245 1.00 2.04 H new ATOM 0 HE1 PHE A 39 0.669 4.093 0.169 1.00 2.90 H new ATOM 0 HE2 PHE A 39 3.694 1.124 0.875 1.00 2.42 H new ATOM 0 HZ PHE A 39 3.066 3.479 0.393 1.00 2.53 H new ATOM 602 N HIS A 40 -1.306 -3.139 2.506 1.00 1.01 N ATOM 603 CA HIS A 40 -2.091 -4.054 3.316 1.00 0.83 C ATOM 604 C HIS A 40 -3.386 -3.351 3.697 1.00 0.94 C ATOM 605 O HIS A 40 -3.326 -2.187 4.082 1.00 1.66 O ATOM 606 CB HIS A 40 -1.225 -4.267 4.554 1.00 0.93 C ATOM 607 CG HIS A 40 -1.334 -5.515 5.366 1.00 0.74 C ATOM 608 ND1 HIS A 40 -0.461 -5.735 6.422 1.00 0.80 N ATOM 609 CD2 HIS A 40 -2.155 -6.591 5.198 1.00 0.84 C ATOM 610 CE1 HIS A 40 -0.761 -6.948 6.900 1.00 1.03 C ATOM 611 NE2 HIS A 40 -1.778 -7.472 6.190 1.00 1.08 N ATOM 0 H HIS A 40 -0.424 -2.899 2.959 1.00 1.01 H new ATOM 0 HA HIS A 40 -2.344 -4.991 2.820 1.00 0.83 H new ATOM 0 HB2 HIS A 40 -0.186 -4.184 4.234 1.00 0.93 H new ATOM 0 HB3 HIS A 40 -1.419 -3.431 5.226 1.00 0.93 H new ATOM 0 HD2 HIS A 40 -2.927 -6.724 4.455 1.00 0.84 H new ATOM 0 HE1 HIS A 40 -0.264 -7.432 7.728 1.00 1.03 H new ATOM 0 HE2 HIS A 40 -2.205 -8.383 6.360 1.00 1.08 H new ATOM 619 N GLN A 41 -4.535 -4.021 3.621 1.00 0.62 N ATOM 620 CA GLN A 41 -5.822 -3.363 3.825 1.00 0.69 C ATOM 621 C GLN A 41 -5.948 -2.693 5.200 1.00 0.90 C ATOM 622 O GLN A 41 -6.647 -1.693 5.324 1.00 1.40 O ATOM 623 CB GLN A 41 -6.947 -4.361 3.530 1.00 0.82 C ATOM 624 CG GLN A 41 -8.343 -3.735 3.651 1.00 1.19 C ATOM 625 CD GLN A 41 -9.081 -4.218 4.896 1.00 1.98 C ATOM 626 OE1 GLN A 41 -8.535 -4.240 5.994 1.00 3.35 O ATOM 627 NE2 GLN A 41 -10.334 -4.626 4.746 1.00 2.47 N ATOM 0 H GLN A 41 -4.600 -5.019 3.420 1.00 0.62 H new ATOM 0 HA GLN A 41 -5.904 -2.534 3.122 1.00 0.69 H new ATOM 0 HB2 GLN A 41 -6.818 -4.760 2.524 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -6.870 -5.202 4.219 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.252 -2.649 3.682 1.00 1.19 H new ATOM 0 HG3 GLN A 41 -8.928 -3.980 2.765 1.00 1.19 H new ATOM 0 HE21 GLN A 41 -10.772 -4.601 3.825 1.00 2.47 H new ATOM 0 HE22 GLN A 41 -10.860 -4.965 5.552 1.00 2.47 H new ATOM 636 N VAL A 42 -5.248 -3.189 6.221 1.00 0.76 N ATOM 637 CA VAL A 42 -5.201 -2.509 7.509 1.00 0.86 C ATOM 638 C VAL A 42 -4.182 -1.369 7.469 1.00 0.89 C ATOM 639 O VAL A 42 -4.537 -0.224 7.734 1.00 1.11 O ATOM 640 CB VAL A 42 -4.898 -3.529 8.619 1.00 0.90 C ATOM 641 CG1 VAL A 42 -4.760 -2.857 9.990 1.00 0.97 C ATOM 642 CG2 VAL A 42 -6.030 -4.561 8.692 1.00 1.04 C ATOM 0 H VAL A 42 -4.710 -4.054 6.179 1.00 0.76 H new ATOM 0 HA VAL A 42 -6.170 -2.060 7.728 1.00 0.86 H new ATOM 0 HB VAL A 42 -3.951 -4.009 8.373 1.00 0.90 H new ATOM 0 HG11 VAL A 42 -4.546 -3.613 10.746 1.00 0.97 H new ATOM 0 HG12 VAL A 42 -3.946 -2.133 9.960 1.00 0.97 H new ATOM 0 HG13 VAL A 42 -5.690 -2.347 10.240 1.00 0.97 H new ATOM 0 HG21 VAL A 42 -5.814 -5.283 9.479 1.00 1.04 H new ATOM 0 HG22 VAL A 42 -6.970 -4.055 8.912 1.00 1.04 H new ATOM 0 HG23 VAL A 42 -6.112 -5.079 7.737 1.00 1.04 H new ATOM 652 N CYS A 43 -2.908 -1.658 7.180 1.00 0.91 N ATOM 653 CA CYS A 43 -1.830 -0.708 7.440 1.00 1.16 C ATOM 654 C CYS A 43 -1.981 0.548 6.578 1.00 0.90 C ATOM 655 O CYS A 43 -1.580 1.638 6.991 1.00 0.85 O ATOM 656 CB CYS A 43 -0.487 -1.375 7.137 1.00 1.52 C ATOM 657 SG CYS A 43 -0.349 -2.924 8.064 1.00 1.88 S ATOM 0 H CYS A 43 -2.603 -2.540 6.768 1.00 0.91 H new ATOM 0 HA CYS A 43 -1.876 -0.411 8.488 1.00 1.16 H new ATOM 0 HB2 CYS A 43 -0.401 -1.571 6.068 1.00 1.52 H new ATOM 0 HB3 CYS A 43 0.331 -0.706 7.405 1.00 1.52 H new ATOM 662 N VAL A 44 -2.523 0.392 5.365 1.00 0.82 N ATOM 663 CA VAL A 44 -2.852 1.511 4.494 1.00 0.75 C ATOM 664 C VAL A 44 -3.645 2.545 5.296 1.00 0.74 C ATOM 665 O VAL A 44 -3.279 3.717 5.341 1.00 0.72 O ATOM 666 CB VAL A 44 -3.621 1.031 3.247 1.00 0.86 C ATOM 667 CG1 VAL A 44 -4.994 0.425 3.547 1.00 2.17 C ATOM 668 CG2 VAL A 44 -3.816 2.170 2.246 1.00 1.64 C ATOM 0 H VAL A 44 -2.744 -0.520 4.964 1.00 0.82 H new ATOM 0 HA VAL A 44 -1.937 1.979 4.131 1.00 0.75 H new ATOM 0 HB VAL A 44 -2.994 0.243 2.829 1.00 0.86 H new ATOM 0 HG11 VAL A 44 -5.466 0.114 2.615 1.00 2.17 H new ATOM 0 HG12 VAL A 44 -4.875 -0.440 4.200 1.00 2.17 H new ATOM 0 HG13 VAL A 44 -5.620 1.169 4.040 1.00 2.17 H new ATOM 0 HG21 VAL A 44 -4.361 1.801 1.377 1.00 1.64 H new ATOM 0 HG22 VAL A 44 -4.383 2.974 2.716 1.00 1.64 H new ATOM 0 HG23 VAL A 44 -2.843 2.548 1.931 1.00 1.64 H new ATOM 678 N ASP A 45 -4.673 2.092 6.013 1.00 0.81 N ATOM 679 CA ASP A 45 -5.623 2.903 6.766 1.00 0.90 C ATOM 680 C ASP A 45 -5.051 3.274 8.142 1.00 1.00 C ATOM 681 O ASP A 45 -5.770 3.476 9.117 1.00 1.18 O ATOM 682 CB ASP A 45 -6.955 2.124 6.853 1.00 0.99 C ATOM 683 CG ASP A 45 -7.951 2.608 5.799 1.00 1.54 C ATOM 684 OD1 ASP A 45 -9.156 2.666 6.127 1.00 2.20 O ATOM 685 OD2 ASP A 45 -7.492 2.920 4.676 1.00 2.70 O ATOM 0 H ASP A 45 -4.874 1.095 6.087 1.00 0.81 H new ATOM 0 HA ASP A 45 -5.811 3.851 6.261 1.00 0.90 H new ATOM 0 HB2 ASP A 45 -6.766 1.059 6.716 1.00 0.99 H new ATOM 0 HB3 ASP A 45 -7.386 2.246 7.847 1.00 0.99 H new ATOM 690 N GLN A 46 -3.729 3.429 8.213 1.00 0.97 N ATOM 691 CA GLN A 46 -3.000 3.876 9.381 1.00 1.10 C ATOM 692 C GLN A 46 -1.932 4.855 8.910 1.00 1.04 C ATOM 693 O GLN A 46 -1.949 6.019 9.296 1.00 1.20 O ATOM 694 CB GLN A 46 -2.428 2.657 10.123 1.00 1.25 C ATOM 695 CG GLN A 46 -3.172 2.455 11.445 1.00 2.00 C ATOM 696 CD GLN A 46 -2.863 1.098 12.069 1.00 2.49 C ATOM 697 OE1 GLN A 46 -1.758 0.580 11.962 1.00 2.60 O ATOM 698 NE2 GLN A 46 -3.836 0.496 12.743 1.00 3.62 N ATOM 0 H GLN A 46 -3.118 3.236 7.419 1.00 0.97 H new ATOM 0 HA GLN A 46 -3.642 4.393 10.095 1.00 1.10 H new ATOM 0 HB2 GLN A 46 -2.522 1.766 9.503 1.00 1.25 H new ATOM 0 HB3 GLN A 46 -1.364 2.802 10.313 1.00 1.25 H new ATOM 0 HG2 GLN A 46 -2.896 3.246 12.142 1.00 2.00 H new ATOM 0 HG3 GLN A 46 -4.245 2.540 11.275 1.00 2.00 H new ATOM 0 HE21 GLN A 46 -4.751 0.940 12.823 1.00 3.62 H new ATOM 0 HE22 GLN A 46 -3.668 -0.410 13.180 1.00 3.62 H new ATOM 707 N ARG A 47 -1.009 4.433 8.045 1.00 0.95 N ATOM 708 CA ARG A 47 0.023 5.362 7.594 1.00 0.95 C ATOM 709 C ARG A 47 -0.559 6.418 6.646 1.00 0.88 C ATOM 710 O ARG A 47 -0.172 7.581 6.715 1.00 1.01 O ATOM 711 CB ARG A 47 1.202 4.594 6.990 1.00 0.99 C ATOM 712 CG ARG A 47 2.490 5.430 7.006 1.00 1.32 C ATOM 713 CD ARG A 47 3.492 4.939 5.953 1.00 1.28 C ATOM 714 NE ARG A 47 4.812 5.561 6.135 1.00 1.65 N ATOM 715 CZ ARG A 47 5.817 5.077 6.881 1.00 2.67 C ATOM 716 NH1 ARG A 47 6.967 5.748 6.955 1.00 2.99 N ATOM 717 NH2 ARG A 47 5.679 3.932 7.554 1.00 3.79 N ATOM 0 H ARG A 47 -0.954 3.492 7.656 1.00 0.95 H new ATOM 0 HA ARG A 47 0.409 5.911 8.453 1.00 0.95 H new ATOM 0 HB2 ARG A 47 1.360 3.671 7.548 1.00 0.99 H new ATOM 0 HB3 ARG A 47 0.965 4.310 5.965 1.00 0.99 H new ATOM 0 HG2 ARG A 47 2.248 6.476 6.820 1.00 1.32 H new ATOM 0 HG3 ARG A 47 2.946 5.379 7.995 1.00 1.32 H new ATOM 0 HD2 ARG A 47 3.587 3.855 6.017 1.00 1.28 H new ATOM 0 HD3 ARG A 47 3.115 5.167 4.956 1.00 1.28 H new ATOM 0 HE ARG A 47 4.979 6.442 5.649 1.00 1.65 H new ATOM 0 HH11 ARG A 47 7.080 6.625 6.446 1.00 2.99 H new ATOM 0 HH12 ARG A 47 7.734 5.385 7.521 1.00 2.99 H new ATOM 0 HH21 ARG A 47 4.802 3.414 7.505 1.00 3.79 H new ATOM 0 HH22 ARG A 47 6.451 3.575 8.117 1.00 3.79 H new ATOM 731 N LEU A 48 -1.495 6.048 5.764 1.00 0.76 N ATOM 732 CA LEU A 48 -2.047 6.965 4.764 1.00 0.76 C ATOM 733 C LEU A 48 -3.275 7.694 5.323 1.00 0.89 C ATOM 734 O LEU A 48 -4.107 8.197 4.572 1.00 1.43 O ATOM 735 CB LEU A 48 -2.399 6.225 3.457 1.00 0.74 C ATOM 736 CG LEU A 48 -1.217 5.668 2.641 1.00 0.77 C ATOM 737 CD1 LEU A 48 -0.273 6.775 2.164 1.00 0.83 C ATOM 738 CD2 LEU A 48 -0.392 4.636 3.410 1.00 0.91 C ATOM 0 H LEU A 48 -1.889 5.108 5.725 1.00 0.76 H new ATOM 0 HA LEU A 48 -1.282 7.705 4.529 1.00 0.76 H new ATOM 0 HB2 LEU A 48 -3.064 5.397 3.703 1.00 0.74 H new ATOM 0 HB3 LEU A 48 -2.962 6.907 2.820 1.00 0.74 H new ATOM 0 HG LEU A 48 -1.680 5.181 1.783 1.00 0.77 H new ATOM 0 HD11 LEU A 48 0.545 6.335 1.593 1.00 0.83 H new ATOM 0 HD12 LEU A 48 -0.821 7.474 1.532 1.00 0.83 H new ATOM 0 HD13 LEU A 48 0.131 7.306 3.026 1.00 0.83 H new ATOM 0 HD21 LEU A 48 0.425 4.282 2.781 1.00 0.91 H new ATOM 0 HD22 LEU A 48 0.016 5.094 4.311 1.00 0.91 H new ATOM 0 HD23 LEU A 48 -1.028 3.795 3.687 1.00 0.91 H new ATOM 750 N ILE A 49 -3.398 7.813 6.648 1.00 0.85 N ATOM 751 CA ILE A 49 -4.400 8.701 7.210 1.00 0.93 C ATOM 752 C ILE A 49 -3.939 10.153 7.064 1.00 0.84 C ATOM 753 O ILE A 49 -4.752 11.042 6.826 1.00 1.46 O ATOM 754 CB ILE A 49 -4.750 8.301 8.646 1.00 1.31 C ATOM 755 CG1 ILE A 49 -3.603 8.500 9.646 1.00 2.24 C ATOM 756 CG2 ILE A 49 -5.217 6.838 8.638 1.00 2.45 C ATOM 757 CD1 ILE A 49 -3.729 9.814 10.422 1.00 3.83 C ATOM 0 H ILE A 49 -2.828 7.315 7.332 1.00 0.85 H new ATOM 0 HA ILE A 49 -5.332 8.608 6.653 1.00 0.93 H new ATOM 0 HB ILE A 49 -5.543 8.964 8.990 1.00 1.31 H new ATOM 0 HG12 ILE A 49 -3.587 7.666 10.348 1.00 2.24 H new ATOM 0 HG13 ILE A 49 -2.653 8.485 9.113 1.00 2.24 H new ATOM 0 HG21 ILE A 49 -5.472 6.532 9.653 1.00 2.45 H new ATOM 0 HG22 ILE A 49 -6.094 6.739 7.998 1.00 2.45 H new ATOM 0 HG23 ILE A 49 -4.417 6.203 8.257 1.00 2.45 H new ATOM 0 HD11 ILE A 49 -2.894 9.908 11.116 1.00 3.83 H new ATOM 0 HD12 ILE A 49 -3.717 10.651 9.724 1.00 3.83 H new ATOM 0 HD13 ILE A 49 -4.666 9.819 10.979 1.00 3.83 H new ATOM 769 N THR A 50 -2.626 10.390 7.180 1.00 1.59 N ATOM 770 CA THR A 50 -2.033 11.724 7.178 1.00 1.99 C ATOM 771 C THR A 50 -1.360 12.027 5.830 1.00 1.82 C ATOM 772 O THR A 50 -0.701 13.051 5.665 1.00 2.39 O ATOM 773 CB THR A 50 -1.070 11.819 8.378 1.00 2.52 C ATOM 774 OG1 THR A 50 -0.804 13.162 8.714 1.00 3.36 O ATOM 775 CG2 THR A 50 0.253 11.080 8.148 1.00 3.97 C ATOM 0 H THR A 50 -1.938 9.644 7.279 1.00 1.59 H new ATOM 0 HA THR A 50 -2.800 12.490 7.292 1.00 1.99 H new ATOM 0 HB THR A 50 -1.582 11.329 9.206 1.00 2.52 H new ATOM 0 HG1 THR A 50 -0.676 13.685 7.895 1.00 3.36 H new ATOM 0 HG21 THR A 50 0.886 11.185 9.029 1.00 3.97 H new ATOM 0 HG22 THR A 50 0.053 10.024 7.968 1.00 3.97 H new ATOM 0 HG23 THR A 50 0.762 11.505 7.283 1.00 3.97 H new ATOM 783 N ASN A 51 -1.498 11.143 4.835 1.00 1.28 N ATOM 784 CA ASN A 51 -0.872 11.328 3.534 1.00 1.19 C ATOM 785 C ASN A 51 -1.724 10.626 2.488 1.00 1.16 C ATOM 786 O ASN A 51 -2.295 9.586 2.799 1.00 1.49 O ATOM 787 CB ASN A 51 0.533 10.728 3.552 1.00 1.23 C ATOM 788 CG ASN A 51 1.308 11.217 2.342 1.00 1.42 C ATOM 789 OD1 ASN A 51 0.992 10.873 1.212 1.00 2.25 O ATOM 790 ND2 ASN A 51 2.298 12.073 2.553 1.00 1.79 N ATOM 0 H ASN A 51 -2.045 10.286 4.915 1.00 1.28 H new ATOM 0 HA ASN A 51 -0.796 12.389 3.298 1.00 1.19 H new ATOM 0 HB2 ASN A 51 1.050 11.014 4.468 1.00 1.23 H new ATOM 0 HB3 ASN A 51 0.475 9.640 3.545 1.00 1.23 H new ATOM 0 HD21 ASN A 51 2.815 12.460 1.763 1.00 1.79 H new ATOM 0 HD22 ASN A 51 2.543 12.345 3.505 1.00 1.79 H new ATOM 797 N LYS A 52 -1.838 11.173 1.274 1.00 0.93 N ATOM 798 CA LYS A 52 -2.849 10.743 0.312 1.00 0.82 C ATOM 799 C LYS A 52 -2.367 10.975 -1.115 1.00 0.91 C ATOM 800 O LYS A 52 -3.106 11.420 -1.988 1.00 1.26 O ATOM 801 CB LYS A 52 -4.163 11.471 0.657 1.00 1.01 C ATOM 802 CG LYS A 52 -5.098 10.443 1.292 1.00 2.69 C ATOM 803 CD LYS A 52 -6.108 11.051 2.264 1.00 2.88 C ATOM 804 CE LYS A 52 -6.714 9.858 3.007 1.00 4.95 C ATOM 805 NZ LYS A 52 -7.790 10.248 3.932 1.00 5.59 N ATOM 0 H LYS A 52 -1.234 11.922 0.935 1.00 0.93 H new ATOM 0 HA LYS A 52 -3.031 9.670 0.375 1.00 0.82 H new ATOM 0 HB2 LYS A 52 -3.976 12.297 1.344 1.00 1.01 H new ATOM 0 HB3 LYS A 52 -4.613 11.898 -0.239 1.00 1.01 H new ATOM 0 HG2 LYS A 52 -5.637 9.918 0.503 1.00 2.69 H new ATOM 0 HG3 LYS A 52 -4.501 9.699 1.820 1.00 2.69 H new ATOM 0 HD2 LYS A 52 -5.624 11.741 2.955 1.00 2.88 H new ATOM 0 HD3 LYS A 52 -6.875 11.616 1.734 1.00 2.88 H new ATOM 0 HE2 LYS A 52 -7.106 9.145 2.281 1.00 4.95 H new ATOM 0 HE3 LYS A 52 -5.929 9.347 3.565 1.00 4.95 H new ATOM 0 HZ1 LYS A 52 -7.722 9.682 4.802 1.00 5.59 H new ATOM 0 HZ2 LYS A 52 -7.697 11.257 4.168 1.00 5.59 H new ATOM 0 HZ3 LYS A 52 -8.712 10.082 3.481 1.00 5.59 H new ATOM 819 N LYS A 53 -1.118 10.604 -1.371 1.00 0.80 N ATOM 820 CA LYS A 53 -0.454 10.802 -2.652 1.00 0.88 C ATOM 821 C LYS A 53 0.610 9.725 -2.786 1.00 0.79 C ATOM 822 O LYS A 53 1.044 9.173 -1.775 1.00 0.88 O ATOM 823 CB LYS A 53 0.178 12.198 -2.720 1.00 1.01 C ATOM 824 CG LYS A 53 1.016 12.505 -1.472 1.00 1.47 C ATOM 825 CD LYS A 53 1.939 13.703 -1.677 1.00 1.87 C ATOM 826 CE LYS A 53 3.077 13.314 -2.626 1.00 3.22 C ATOM 827 NZ LYS A 53 4.151 14.329 -2.625 1.00 3.97 N ATOM 0 H LYS A 53 -0.526 10.147 -0.677 1.00 0.80 H new ATOM 0 HA LYS A 53 -1.172 10.730 -3.469 1.00 0.88 H new ATOM 0 HB2 LYS A 53 0.807 12.269 -3.607 1.00 1.01 H new ATOM 0 HB3 LYS A 53 -0.606 12.948 -2.825 1.00 1.01 H new ATOM 0 HG2 LYS A 53 0.352 12.700 -0.630 1.00 1.47 H new ATOM 0 HG3 LYS A 53 1.612 11.630 -1.212 1.00 1.47 H new ATOM 0 HD2 LYS A 53 1.378 14.542 -2.089 1.00 1.87 H new ATOM 0 HD3 LYS A 53 2.345 14.031 -0.720 1.00 1.87 H new ATOM 0 HE2 LYS A 53 3.487 12.349 -2.329 1.00 3.22 H new ATOM 0 HE3 LYS A 53 2.686 13.197 -3.637 1.00 3.22 H new ATOM 0 HZ1 LYS A 53 4.906 14.036 -3.277 1.00 3.97 H new ATOM 0 HZ2 LYS A 53 3.764 15.244 -2.932 1.00 3.97 H new ATOM 0 HZ3 LYS A 53 4.540 14.422 -1.665 1.00 3.97 H new ATOM 841 N CYS A 54 1.082 9.454 -3.999 1.00 0.74 N ATOM 842 CA CYS A 54 2.297 8.675 -4.127 1.00 0.65 C ATOM 843 C CYS A 54 3.492 9.588 -3.823 1.00 0.71 C ATOM 844 O CYS A 54 3.617 10.646 -4.440 1.00 0.87 O ATOM 845 CB CYS A 54 2.446 8.234 -5.576 1.00 0.93 C ATOM 846 SG CYS A 54 1.172 7.038 -6.065 1.00 1.45 S ATOM 0 H CYS A 54 0.656 9.752 -4.876 1.00 0.74 H new ATOM 0 HA CYS A 54 2.258 7.820 -3.452 1.00 0.65 H new ATOM 0 HB2 CYS A 54 2.391 9.107 -6.227 1.00 0.93 H new ATOM 0 HB3 CYS A 54 3.432 7.791 -5.719 1.00 0.93 H new ATOM 851 N PRO A 55 4.431 9.193 -2.955 1.00 1.07 N ATOM 852 CA PRO A 55 5.724 9.853 -2.844 1.00 1.43 C ATOM 853 C PRO A 55 6.737 9.240 -3.832 1.00 1.66 C ATOM 854 O PRO A 55 7.843 8.892 -3.431 1.00 2.94 O ATOM 855 CB PRO A 55 6.115 9.623 -1.380 1.00 2.21 C ATOM 856 CG PRO A 55 5.569 8.222 -1.105 1.00 2.26 C ATOM 857 CD PRO A 55 4.260 8.210 -1.896 1.00 1.54 C ATOM 0 HA PRO A 55 5.699 10.913 -3.096 1.00 1.43 H new ATOM 0 HB2 PRO A 55 7.194 9.673 -1.236 1.00 2.21 H new ATOM 0 HB3 PRO A 55 5.671 10.368 -0.720 1.00 2.21 H new ATOM 0 HG2 PRO A 55 6.255 7.446 -1.445 1.00 2.26 H new ATOM 0 HG3 PRO A 55 5.401 8.055 -0.041 1.00 2.26 H new ATOM 0 HD2 PRO A 55 4.061 7.221 -2.308 1.00 1.54 H new ATOM 0 HD3 PRO A 55 3.414 8.465 -1.257 1.00 1.54 H new ATOM 865 N ILE A 56 6.376 9.096 -5.116 1.00 1.38 N ATOM 866 CA ILE A 56 7.276 8.624 -6.182 1.00 1.63 C ATOM 867 C ILE A 56 6.583 8.819 -7.536 1.00 1.54 C ATOM 868 O ILE A 56 7.176 9.372 -8.457 1.00 2.32 O ATOM 869 CB ILE A 56 7.735 7.156 -5.971 1.00 2.11 C ATOM 870 CG1 ILE A 56 8.791 6.690 -6.987 1.00 2.49 C ATOM 871 CG2 ILE A 56 6.570 6.172 -6.040 1.00 3.22 C ATOM 872 CD1 ILE A 56 10.184 7.228 -6.658 1.00 3.09 C ATOM 0 H ILE A 56 5.435 9.307 -5.449 1.00 1.38 H new ATOM 0 HA ILE A 56 8.190 9.217 -6.154 1.00 1.63 H new ATOM 0 HB ILE A 56 8.176 7.158 -4.974 1.00 2.11 H new ATOM 0 HG12 ILE A 56 8.819 5.601 -7.006 1.00 2.49 H new ATOM 0 HG13 ILE A 56 8.503 7.019 -7.985 1.00 2.49 H new ATOM 0 HG21 ILE A 56 6.940 5.158 -5.887 1.00 3.22 H new ATOM 0 HG22 ILE A 56 5.843 6.414 -5.265 1.00 3.22 H new ATOM 0 HG23 ILE A 56 6.094 6.240 -7.018 1.00 3.22 H new ATOM 0 HD11 ILE A 56 10.896 6.873 -7.403 1.00 3.09 H new ATOM 0 HD12 ILE A 56 10.164 8.318 -6.666 1.00 3.09 H new ATOM 0 HD13 ILE A 56 10.486 6.877 -5.671 1.00 3.09 H new ATOM 884 N CYS A 57 5.325 8.374 -7.648 1.00 1.17 N ATOM 885 CA CYS A 57 4.423 8.686 -8.724 1.00 1.15 C ATOM 886 C CYS A 57 3.993 10.142 -8.485 1.00 1.32 C ATOM 887 O CYS A 57 4.563 10.887 -7.687 1.00 2.87 O ATOM 888 CB CYS A 57 3.201 7.712 -8.687 1.00 1.06 C ATOM 889 SG CYS A 57 3.485 6.151 -7.765 1.00 1.02 S ATOM 0 H CYS A 57 4.905 7.760 -6.950 1.00 1.17 H new ATOM 0 HA CYS A 57 4.883 8.572 -9.706 1.00 1.15 H new ATOM 0 HB2 CYS A 57 2.354 8.232 -8.240 1.00 1.06 H new ATOM 0 HB3 CYS A 57 2.920 7.466 -9.711 1.00 1.06 H new ATOM 894 N ARG A 58 2.924 10.529 -9.159 1.00 1.56 N ATOM 895 CA ARG A 58 2.345 11.866 -9.091 1.00 1.66 C ATOM 896 C ARG A 58 0.845 11.743 -9.319 1.00 1.63 C ATOM 897 O ARG A 58 0.313 12.242 -10.305 1.00 2.17 O ATOM 898 CB ARG A 58 3.043 12.769 -10.121 1.00 1.98 C ATOM 899 CG ARG A 58 2.492 14.206 -10.157 1.00 2.68 C ATOM 900 CD ARG A 58 3.612 15.247 -10.041 1.00 2.16 C ATOM 901 NE ARG A 58 4.006 15.460 -8.640 1.00 2.43 N ATOM 902 CZ ARG A 58 5.031 16.220 -8.231 1.00 3.15 C ATOM 903 NH1 ARG A 58 5.186 16.481 -6.932 1.00 4.04 N ATOM 904 NH2 ARG A 58 5.889 16.726 -9.115 1.00 3.64 N ATOM 0 H ARG A 58 2.418 9.906 -9.788 1.00 1.56 H new ATOM 0 HA ARG A 58 2.496 12.328 -8.115 1.00 1.66 H new ATOM 0 HB2 ARG A 58 4.109 12.804 -9.898 1.00 1.98 H new ATOM 0 HB3 ARG A 58 2.939 12.324 -11.111 1.00 1.98 H new ATOM 0 HG2 ARG A 58 1.945 14.363 -11.087 1.00 2.68 H new ATOM 0 HG3 ARG A 58 1.782 14.344 -9.342 1.00 2.68 H new ATOM 0 HD2 ARG A 58 4.477 14.919 -10.617 1.00 2.16 H new ATOM 0 HD3 ARG A 58 3.280 16.190 -10.474 1.00 2.16 H new ATOM 0 HE ARG A 58 3.454 14.991 -7.922 1.00 2.43 H new ATOM 0 HH11 ARG A 58 4.525 16.102 -6.253 1.00 4.04 H new ATOM 0 HH12 ARG A 58 5.965 17.059 -6.617 1.00 4.04 H new ATOM 0 HH21 ARG A 58 5.768 16.536 -10.110 1.00 3.64 H new ATOM 0 HH22 ARG A 58 6.667 17.304 -8.797 1.00 3.64 H new ATOM 918 N VAL A 59 0.179 11.038 -8.409 1.00 1.20 N ATOM 919 CA VAL A 59 -1.244 10.762 -8.462 1.00 1.23 C ATOM 920 C VAL A 59 -1.751 10.814 -7.021 1.00 1.13 C ATOM 921 O VAL A 59 -0.991 10.548 -6.083 1.00 0.97 O ATOM 922 CB VAL A 59 -1.470 9.389 -9.122 1.00 1.23 C ATOM 923 CG1 VAL A 59 -2.924 8.912 -9.035 1.00 1.36 C ATOM 924 CG2 VAL A 59 -1.081 9.404 -10.606 1.00 1.65 C ATOM 0 H VAL A 59 0.634 10.633 -7.591 1.00 1.20 H new ATOM 0 HA VAL A 59 -1.792 11.489 -9.062 1.00 1.23 H new ATOM 0 HB VAL A 59 -0.833 8.704 -8.562 1.00 1.23 H new ATOM 0 HG11 VAL A 59 -3.017 7.939 -9.518 1.00 1.36 H new ATOM 0 HG12 VAL A 59 -3.217 8.827 -7.989 1.00 1.36 H new ATOM 0 HG13 VAL A 59 -3.573 9.630 -9.537 1.00 1.36 H new ATOM 0 HG21 VAL A 59 -1.254 8.418 -11.038 1.00 1.65 H new ATOM 0 HG22 VAL A 59 -1.685 10.142 -11.133 1.00 1.65 H new ATOM 0 HG23 VAL A 59 -0.027 9.662 -10.703 1.00 1.65 H new ATOM 934 N ASP A 60 -3.020 11.184 -6.858 1.00 1.33 N ATOM 935 CA ASP A 60 -3.683 11.298 -5.570 1.00 1.20 C ATOM 936 C ASP A 60 -4.411 9.986 -5.291 1.00 1.10 C ATOM 937 O ASP A 60 -4.911 9.339 -6.208 1.00 1.23 O ATOM 938 CB ASP A 60 -4.671 12.468 -5.595 1.00 1.30 C ATOM 939 CG ASP A 60 -3.943 13.794 -5.805 1.00 1.63 C ATOM 940 OD1 ASP A 60 -4.266 14.471 -6.806 1.00 2.66 O ATOM 941 OD2 ASP A 60 -3.045 14.093 -4.985 1.00 2.23 O ATOM 0 H ASP A 60 -3.628 11.418 -7.643 1.00 1.33 H new ATOM 0 HA ASP A 60 -2.954 11.489 -4.782 1.00 1.20 H new ATOM 0 HB2 ASP A 60 -5.398 12.318 -6.393 1.00 1.30 H new ATOM 0 HB3 ASP A 60 -5.228 12.499 -4.658 1.00 1.30 H new ATOM 946 N ILE A 61 -4.441 9.568 -4.027 1.00 0.99 N ATOM 947 CA ILE A 61 -4.895 8.250 -3.620 1.00 0.92 C ATOM 948 C ILE A 61 -6.320 8.358 -3.096 1.00 0.88 C ATOM 949 O ILE A 61 -7.168 7.516 -3.381 1.00 1.02 O ATOM 950 CB ILE A 61 -3.934 7.741 -2.534 1.00 0.83 C ATOM 951 CG1 ILE A 61 -2.462 7.961 -2.877 1.00 0.81 C ATOM 952 CG2 ILE A 61 -4.129 6.265 -2.239 1.00 0.81 C ATOM 953 CD1 ILE A 61 -2.064 7.381 -4.219 1.00 0.82 C ATOM 0 H ILE A 61 -4.143 10.152 -3.245 1.00 0.99 H new ATOM 0 HA ILE A 61 -4.897 7.549 -4.455 1.00 0.92 H new ATOM 0 HB ILE A 61 -4.185 8.334 -1.655 1.00 0.83 H new ATOM 0 HG12 ILE A 61 -2.252 9.031 -2.875 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -1.844 7.513 -2.098 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -3.427 5.953 -1.466 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -5.149 6.095 -1.894 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -3.951 5.686 -3.145 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -1.006 7.573 -4.399 1.00 0.82 H new ATOM 0 HD12 ILE A 61 -2.243 6.306 -4.218 1.00 0.82 H new ATOM 0 HD13 ILE A 61 -2.657 7.846 -5.007 1.00 0.82 H new ATOM 965 N GLU A 62 -6.566 9.407 -2.316 1.00 0.85 N ATOM 966 CA GLU A 62 -7.869 9.794 -1.806 1.00 0.92 C ATOM 967 C GLU A 62 -7.821 11.317 -1.656 1.00 2.11 C ATOM 968 O GLU A 62 -6.748 11.912 -1.752 1.00 3.16 O ATOM 969 CB GLU A 62 -8.121 9.111 -0.452 1.00 2.31 C ATOM 970 CG GLU A 62 -9.603 8.861 -0.158 1.00 2.71 C ATOM 971 CD GLU A 62 -9.798 8.377 1.284 1.00 4.09 C ATOM 972 OE1 GLU A 62 -9.384 9.124 2.206 1.00 4.50 O ATOM 973 OE2 GLU A 62 -10.347 7.270 1.452 1.00 5.39 O ATOM 0 H GLU A 62 -5.824 10.037 -2.011 1.00 0.85 H new ATOM 0 HA GLU A 62 -8.679 9.493 -2.470 1.00 0.92 H new ATOM 0 HB2 GLU A 62 -7.589 8.160 -0.430 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -7.701 9.729 0.341 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -10.170 9.778 -0.318 1.00 2.71 H new ATOM 0 HG3 GLU A 62 -9.996 8.118 -0.852 1.00 2.71 H new ATOM 980 N ALA A 63 -8.953 11.960 -1.387 1.00 2.96 N ATOM 981 CA ALA A 63 -9.002 13.379 -1.077 1.00 4.82 C ATOM 982 C ALA A 63 -10.142 13.585 -0.086 1.00 5.33 C ATOM 983 O ALA A 63 -10.736 12.610 0.374 1.00 5.57 O ATOM 984 CB ALA A 63 -9.206 14.184 -2.366 1.00 5.99 C ATOM 0 H ALA A 63 -9.866 11.506 -1.379 1.00 2.96 H new ATOM 0 HA ALA A 63 -8.070 13.727 -0.632 1.00 4.82 H new ATOM 0 HB1 ALA A 63 -9.242 15.247 -2.129 1.00 5.99 H new ATOM 0 HB2 ALA A 63 -8.379 13.992 -3.049 1.00 5.99 H new ATOM 0 HB3 ALA A 63 -10.142 13.885 -2.837 1.00 5.99 H new ATOM 990 N GLN A 64 -10.472 14.832 0.245 1.00 5.90 N ATOM 991 CA GLN A 64 -11.540 15.099 1.188 1.00 6.44 C ATOM 992 C GLN A 64 -12.357 16.274 0.667 1.00 7.04 C ATOM 993 O GLN A 64 -11.896 17.410 0.666 1.00 8.48 O ATOM 994 CB GLN A 64 -10.935 15.316 2.581 1.00 8.24 C ATOM 995 CG GLN A 64 -11.998 15.180 3.676 1.00 8.83 C ATOM 996 CD GLN A 64 -11.379 15.012 5.063 1.00 10.58 C ATOM 997 OE1 GLN A 64 -10.193 15.234 5.272 1.00 11.81 O ATOM 998 NE2 GLN A 64 -12.165 14.567 6.036 1.00 11.06 N ATOM 0 H GLN A 64 -10.014 15.664 -0.127 1.00 5.90 H new ATOM 0 HA GLN A 64 -12.226 14.258 1.286 1.00 6.44 H new ATOM 0 HB2 GLN A 64 -10.139 14.591 2.751 1.00 8.24 H new ATOM 0 HB3 GLN A 64 -10.481 16.306 2.633 1.00 8.24 H new ATOM 0 HG2 GLN A 64 -12.638 16.062 3.670 1.00 8.83 H new ATOM 0 HG3 GLN A 64 -12.635 14.323 3.458 1.00 8.83 H new ATOM 0 HE21 GLN A 64 -13.152 14.385 5.852 1.00 11.06 H new ATOM 0 HE22 GLN A 64 -11.782 14.407 6.968 1.00 11.06 H new ATOM 1007 N LEU A 65 -13.561 15.973 0.173 1.00 6.58 N ATOM 1008 CA LEU A 65 -14.522 16.958 -0.305 1.00 7.82 C ATOM 1009 C LEU A 65 -14.872 17.980 0.785 1.00 8.40 C ATOM 1010 O LEU A 65 -14.825 19.175 0.506 1.00 9.43 O ATOM 1011 CB LEU A 65 -15.738 16.226 -0.906 1.00 8.33 C ATOM 1012 CG LEU A 65 -16.973 17.110 -1.171 1.00 9.82 C ATOM 1013 CD1 LEU A 65 -17.659 16.662 -2.466 1.00 10.60 C ATOM 1014 CD2 LEU A 65 -18.003 16.986 -0.041 1.00 10.51 C ATOM 0 H LEU A 65 -13.898 15.013 0.095 1.00 6.58 H new ATOM 0 HA LEU A 65 -14.082 17.555 -1.104 1.00 7.82 H new ATOM 0 HB2 LEU A 65 -15.435 15.763 -1.845 1.00 8.33 H new ATOM 0 HB3 LEU A 65 -16.026 15.420 -0.231 1.00 8.33 H new ATOM 0 HG LEU A 65 -16.627 18.141 -1.240 1.00 9.82 H new ATOM 0 HD11 LEU A 65 -18.532 17.288 -2.651 1.00 10.60 H new ATOM 0 HD12 LEU A 65 -16.962 16.756 -3.298 1.00 10.60 H new ATOM 0 HD13 LEU A 65 -17.972 15.622 -2.371 1.00 10.60 H new ATOM 0 HD21 LEU A 65 -18.861 17.622 -0.259 1.00 10.51 H new ATOM 0 HD22 LEU A 65 -18.331 15.950 0.040 1.00 10.51 H new ATOM 0 HD23 LEU A 65 -17.550 17.298 0.900 1.00 10.51 H new ATOM 1026 N PRO A 66 -15.256 17.573 2.004 1.00 8.17 N ATOM 1027 CA PRO A 66 -15.604 18.534 3.034 1.00 9.01 C ATOM 1028 C PRO A 66 -14.334 19.100 3.673 1.00 9.44 C ATOM 1029 O PRO A 66 -13.476 18.350 4.133 1.00 9.39 O ATOM 1030 CB PRO A 66 -16.444 17.747 4.038 1.00 9.06 C ATOM 1031 CG PRO A 66 -15.872 16.334 3.944 1.00 8.35 C ATOM 1032 CD PRO A 66 -15.475 16.212 2.472 1.00 7.68 C ATOM 0 HA PRO A 66 -16.155 19.391 2.647 1.00 9.01 H new ATOM 0 HB2 PRO A 66 -16.351 18.152 5.046 1.00 9.06 H new ATOM 0 HB3 PRO A 66 -17.503 17.770 3.782 1.00 9.06 H new ATOM 0 HG2 PRO A 66 -15.015 16.202 4.604 1.00 8.35 H new ATOM 0 HG3 PRO A 66 -16.609 15.582 4.225 1.00 8.35 H new ATOM 0 HD2 PRO A 66 -14.573 15.610 2.359 1.00 7.68 H new ATOM 0 HD3 PRO A 66 -16.259 15.722 1.895 1.00 7.68 H new ATOM 1040 N SER A 67 -14.242 20.426 3.752 1.00 10.34 N ATOM 1041 CA SER A 67 -13.259 21.155 4.528 1.00 11.25 C ATOM 1042 C SER A 67 -13.951 22.477 4.828 1.00 11.98 C ATOM 1043 O SER A 67 -14.636 23.024 3.964 1.00 12.49 O ATOM 1044 CB SER A 67 -11.966 21.359 3.731 1.00 12.09 C ATOM 1045 OG SER A 67 -10.864 21.646 4.580 1.00 12.85 O ATOM 0 H SER A 67 -14.882 21.043 3.252 1.00 10.34 H new ATOM 0 HA SER A 67 -12.954 20.629 5.433 1.00 11.25 H new ATOM 0 HB2 SER A 67 -11.753 20.463 3.149 1.00 12.09 H new ATOM 0 HB3 SER A 67 -12.101 22.176 3.022 1.00 12.09 H new ATOM 0 HG SER A 67 -11.193 21.929 5.459 1.00 12.85 H new ATOM 1051 N GLU A 68 -13.856 22.946 6.061 1.00 12.29 N ATOM 1052 CA GLU A 68 -14.592 24.104 6.537 1.00 13.10 C ATOM 1053 C GLU A 68 -13.807 24.623 7.728 1.00 13.71 C ATOM 1054 O GLU A 68 -13.276 25.731 7.698 1.00 15.00 O ATOM 1055 CB GLU A 68 -16.028 23.679 6.887 1.00 12.98 C ATOM 1056 CG GLU A 68 -16.884 24.835 7.421 1.00 14.05 C ATOM 1057 CD GLU A 68 -16.878 24.915 8.949 1.00 14.51 C ATOM 1058 OE1 GLU A 68 -16.385 25.936 9.475 1.00 15.46 O ATOM 1059 OE2 GLU A 68 -17.385 23.955 9.570 1.00 14.17 O ATOM 0 H GLU A 68 -13.255 22.526 6.770 1.00 12.29 H new ATOM 0 HA GLU A 68 -14.690 24.897 5.795 1.00 13.10 H new ATOM 0 HB2 GLU A 68 -16.504 23.262 5.999 1.00 12.98 H new ATOM 0 HB3 GLU A 68 -15.994 22.885 7.633 1.00 12.98 H new ATOM 0 HG2 GLU A 68 -16.515 25.775 7.010 1.00 14.05 H new ATOM 0 HG3 GLU A 68 -17.909 24.715 7.071 1.00 14.05 H new ATOM 1066 N SER A 69 -13.631 23.738 8.708 1.00 12.96 N ATOM 1067 CA SER A 69 -12.448 23.806 9.547 1.00 13.37 C ATOM 1068 C SER A 69 -11.267 23.214 8.773 1.00 13.05 C ATOM 1069 O SER A 69 -10.172 23.249 9.375 1.00 13.52 O ATOM 1070 CB SER A 69 -12.683 23.051 10.859 1.00 13.40 C ATOM 1071 OG SER A 69 -11.628 23.334 11.756 1.00 14.17 O ATOM 1072 OXT SER A 69 -11.484 22.687 7.650 1.00 12.71 O ATOM 0 H SER A 69 -14.279 22.984 8.933 1.00 12.96 H new ATOM 0 HA SER A 69 -12.228 24.843 9.801 1.00 13.37 H new ATOM 0 HB2 SER A 69 -13.637 23.347 11.296 1.00 13.40 H new ATOM 0 HB3 SER A 69 -12.738 21.979 10.670 1.00 13.40 H new ATOM 0 HG SER A 69 -10.775 23.320 11.273 1.00 14.17 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.889 -4.306 7.134 1.00 0.84 ZN HETATM 1080 ZN ZN A 102 1.877 5.063 -6.639 1.00 0.66 ZN