USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Set 1.1: A 52 LYS NZ :NH3+ -157:sc= 0.703 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.163 K(o=0.87,f=-5.2) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 171:sc= 0.55 (180deg=-0.0785) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0.514 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.327 (180deg=-0.721!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.792 K(o=-0.79,f=-1.5) USER MOD Single : A 9 THR OG1 : rot 26:sc= 0.258 USER MOD Single : A 13 THR OG1 : rot -55:sc= 0.292 USER MOD Single : A 22 SER OG : rot 35:sc= 0.835 USER MOD Single : A 36 MET CE :methyl 175:sc= 0 (180deg=-0.021) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.77 K(o=-2.8,f=-8.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.705 -28.084 -1.411 1.00 21.51 N ATOM 2 CA MET A 1 -5.007 -29.370 -2.068 1.00 22.49 C ATOM 3 C MET A 1 -5.219 -30.465 -1.037 1.00 22.84 C ATOM 4 O MET A 1 -6.351 -30.914 -0.886 1.00 23.78 O ATOM 5 CB MET A 1 -3.955 -29.773 -3.110 1.00 22.84 C ATOM 6 CG MET A 1 -4.321 -29.182 -4.474 1.00 23.50 C ATOM 7 SD MET A 1 -4.467 -27.377 -4.505 1.00 23.03 S ATOM 8 CE MET A 1 -6.055 -27.211 -5.364 1.00 24.29 C ATOM 0 H1 MET A 1 -3.866 -27.657 -1.853 1.00 21.51 H new ATOM 0 H2 MET A 1 -5.516 -27.441 -1.516 1.00 21.51 H new ATOM 0 H3 MET A 1 -4.520 -28.245 -0.400 1.00 21.51 H new ATOM 0 HA MET A 1 -5.937 -29.231 -2.619 1.00 22.49 H new ATOM 0 HB2 MET A 1 -2.971 -29.419 -2.802 1.00 22.84 H new ATOM 0 HB3 MET A 1 -3.896 -30.859 -3.178 1.00 22.84 H new ATOM 0 HG2 MET A 1 -3.566 -29.484 -5.200 1.00 23.50 H new ATOM 0 HG3 MET A 1 -5.267 -29.615 -4.800 1.00 23.50 H new ATOM 0 HE1 MET A 1 -6.303 -26.155 -5.470 1.00 24.29 H new ATOM 0 HE2 MET A 1 -5.984 -27.668 -6.351 1.00 24.29 H new ATOM 0 HE3 MET A 1 -6.834 -27.710 -4.788 1.00 24.29 H new ATOM 20 N LYS A 2 -4.175 -30.924 -0.339 1.00 22.33 N ATOM 21 CA LYS A 2 -4.332 -31.991 0.636 1.00 22.76 C ATOM 22 C LYS A 2 -3.425 -31.653 1.810 1.00 21.74 C ATOM 23 O LYS A 2 -2.214 -31.795 1.686 1.00 21.65 O ATOM 24 CB LYS A 2 -4.025 -33.351 -0.019 1.00 23.86 C ATOM 25 CG LYS A 2 -4.793 -34.468 0.700 1.00 24.82 C ATOM 26 CD LYS A 2 -4.838 -35.778 -0.096 1.00 26.38 C ATOM 27 CE LYS A 2 -3.494 -36.512 -0.068 1.00 26.97 C ATOM 28 NZ LYS A 2 -3.630 -37.899 -0.569 1.00 28.45 N ATOM 0 H LYS A 2 -3.222 -30.572 -0.435 1.00 22.33 H new ATOM 0 HA LYS A 2 -5.355 -32.074 1.003 1.00 22.76 H new ATOM 0 HB2 LYS A 2 -4.304 -33.327 -1.072 1.00 23.86 H new ATOM 0 HB3 LYS A 2 -2.954 -33.550 0.023 1.00 23.86 H new ATOM 0 HG2 LYS A 2 -4.329 -34.654 1.668 1.00 24.82 H new ATOM 0 HG3 LYS A 2 -5.812 -34.133 0.894 1.00 24.82 H new ATOM 0 HD2 LYS A 2 -5.613 -36.425 0.314 1.00 26.38 H new ATOM 0 HD3 LYS A 2 -5.114 -35.565 -1.129 1.00 26.38 H new ATOM 0 HE2 LYS A 2 -2.769 -35.972 -0.677 1.00 26.97 H new ATOM 0 HE3 LYS A 2 -3.106 -36.527 0.951 1.00 26.97 H new ATOM 0 HZ1 LYS A 2 -2.704 -38.372 -0.538 1.00 28.45 H new ATOM 0 HZ2 LYS A 2 -4.304 -38.419 0.028 1.00 28.45 H new ATOM 0 HZ3 LYS A 2 -3.978 -37.882 -1.549 1.00 28.45 H new ATOM 42 N GLN A 3 -4.038 -31.153 2.889 1.00 21.16 N ATOM 43 CA GLN A 3 -3.411 -30.409 3.976 1.00 20.01 C ATOM 44 C GLN A 3 -2.842 -29.082 3.462 1.00 18.45 C ATOM 45 O GLN A 3 -2.197 -29.022 2.421 1.00 18.40 O ATOM 46 CB GLN A 3 -2.382 -31.244 4.755 1.00 20.58 C ATOM 47 CG GLN A 3 -3.031 -32.327 5.629 1.00 21.98 C ATOM 48 CD GLN A 3 -3.859 -33.338 4.837 1.00 23.47 C ATOM 49 OE1 GLN A 3 -3.345 -34.090 4.019 1.00 24.09 O ATOM 50 NE2 GLN A 3 -5.168 -33.379 5.058 1.00 24.24 N ATOM 0 H GLN A 3 -5.042 -31.266 3.030 1.00 21.16 H new ATOM 0 HA GLN A 3 -4.186 -30.171 4.704 1.00 20.01 H new ATOM 0 HB2 GLN A 3 -1.696 -31.715 4.051 1.00 20.58 H new ATOM 0 HB3 GLN A 3 -1.788 -30.583 5.386 1.00 20.58 H new ATOM 0 HG2 GLN A 3 -2.251 -32.857 6.175 1.00 21.98 H new ATOM 0 HG3 GLN A 3 -3.670 -31.848 6.371 1.00 21.98 H new ATOM 0 HE21 GLN A 3 -5.590 -32.750 5.741 1.00 24.24 H new ATOM 0 HE22 GLN A 3 -5.751 -34.040 4.545 1.00 24.24 H new ATOM 59 N ASP A 4 -3.125 -28.006 4.197 1.00 17.40 N ATOM 60 CA ASP A 4 -2.733 -26.632 3.904 1.00 16.10 C ATOM 61 C ASP A 4 -2.861 -25.874 5.229 1.00 14.81 C ATOM 62 O ASP A 4 -3.676 -26.271 6.063 1.00 15.08 O ATOM 63 CB ASP A 4 -3.697 -25.999 2.886 1.00 16.66 C ATOM 64 CG ASP A 4 -3.466 -26.457 1.447 1.00 17.83 C ATOM 65 OD1 ASP A 4 -2.447 -26.048 0.852 1.00 18.10 O ATOM 66 OD2 ASP A 4 -4.347 -27.176 0.915 1.00 18.65 O ATOM 0 H ASP A 4 -3.664 -28.077 5.060 1.00 17.40 H new ATOM 0 HA ASP A 4 -1.726 -26.595 3.488 1.00 16.10 H new ATOM 0 HB2 ASP A 4 -4.721 -26.238 3.173 1.00 16.66 H new ATOM 0 HB3 ASP A 4 -3.598 -24.915 2.932 1.00 16.66 H new ATOM 71 N GLY A 5 -2.106 -24.790 5.431 1.00 13.71 N ATOM 72 CA GLY A 5 -2.288 -23.926 6.593 1.00 12.58 C ATOM 73 C GLY A 5 -0.959 -23.576 7.247 1.00 11.47 C ATOM 74 O GLY A 5 -0.452 -24.337 8.065 1.00 11.54 O ATOM 0 H GLY A 5 -1.362 -24.492 4.800 1.00 13.71 H new ATOM 0 HA2 GLY A 5 -2.797 -23.011 6.290 1.00 12.58 H new ATOM 0 HA3 GLY A 5 -2.931 -24.423 7.319 1.00 12.58 H new ATOM 78 N GLU A 6 -0.410 -22.408 6.920 1.00 10.82 N ATOM 79 CA GLU A 6 0.753 -21.849 7.584 1.00 10.03 C ATOM 80 C GLU A 6 0.687 -20.327 7.460 1.00 9.14 C ATOM 81 O GLU A 6 0.038 -19.822 6.545 1.00 9.40 O ATOM 82 CB GLU A 6 2.054 -22.406 6.984 1.00 10.79 C ATOM 83 CG GLU A 6 2.062 -22.393 5.448 1.00 11.43 C ATOM 84 CD GLU A 6 3.471 -22.601 4.885 1.00 12.40 C ATOM 85 OE1 GLU A 6 4.168 -23.507 5.394 1.00 13.04 O ATOM 86 OE2 GLU A 6 3.829 -21.857 3.946 1.00 12.81 O ATOM 0 H GLU A 6 -0.772 -21.817 6.172 1.00 10.82 H new ATOM 0 HA GLU A 6 0.751 -22.130 8.637 1.00 10.03 H new ATOM 0 HB2 GLU A 6 2.897 -21.820 7.351 1.00 10.79 H new ATOM 0 HB3 GLU A 6 2.200 -23.428 7.334 1.00 10.79 H new ATOM 0 HG2 GLU A 6 1.402 -23.176 5.074 1.00 11.43 H new ATOM 0 HG3 GLU A 6 1.664 -21.443 5.090 1.00 11.43 H new ATOM 93 N GLU A 7 1.366 -19.623 8.373 1.00 8.53 N ATOM 94 CA GLU A 7 1.415 -18.164 8.453 1.00 8.00 C ATOM 95 C GLU A 7 0.036 -17.542 8.731 1.00 7.15 C ATOM 96 O GLU A 7 -0.991 -18.219 8.753 1.00 7.35 O ATOM 97 CB GLU A 7 2.131 -17.608 7.207 1.00 9.00 C ATOM 98 CG GLU A 7 2.669 -16.186 7.404 1.00 9.30 C ATOM 99 CD GLU A 7 3.633 -15.807 6.280 1.00 10.72 C ATOM 100 OE1 GLU A 7 3.139 -15.281 5.260 1.00 11.47 O ATOM 101 OE2 GLU A 7 4.846 -16.056 6.462 1.00 11.39 O ATOM 0 H GLU A 7 1.917 -20.074 9.103 1.00 8.53 H new ATOM 0 HA GLU A 7 2.006 -17.868 9.320 1.00 8.00 H new ATOM 0 HB2 GLU A 7 2.957 -18.269 6.945 1.00 9.00 H new ATOM 0 HB3 GLU A 7 1.439 -17.614 6.365 1.00 9.00 H new ATOM 0 HG2 GLU A 7 1.839 -15.479 7.431 1.00 9.30 H new ATOM 0 HG3 GLU A 7 3.179 -16.116 8.365 1.00 9.30 H new ATOM 108 N GLY A 8 0.008 -16.241 9.014 1.00 6.63 N ATOM 109 CA GLY A 8 -1.216 -15.486 9.197 1.00 6.08 C ATOM 110 C GLY A 8 -0.853 -14.010 9.294 1.00 5.58 C ATOM 111 O GLY A 8 0.089 -13.658 9.997 1.00 5.93 O ATOM 0 H GLY A 8 0.852 -15.679 9.123 1.00 6.63 H new ATOM 0 HA2 GLY A 8 -1.896 -15.656 8.363 1.00 6.08 H new ATOM 0 HA3 GLY A 8 -1.732 -15.811 10.100 1.00 6.08 H new ATOM 115 N THR A 9 -1.569 -13.154 8.570 1.00 5.53 N ATOM 116 CA THR A 9 -1.370 -11.717 8.612 1.00 5.48 C ATOM 117 C THR A 9 -1.944 -11.173 9.918 1.00 4.29 C ATOM 118 O THR A 9 -3.073 -11.528 10.259 1.00 4.55 O ATOM 119 CB THR A 9 -2.106 -11.118 7.423 1.00 6.74 C ATOM 120 OG1 THR A 9 -3.442 -11.588 7.398 1.00 7.10 O ATOM 121 CG2 THR A 9 -1.444 -11.506 6.097 1.00 8.05 C ATOM 0 H THR A 9 -2.310 -13.446 7.933 1.00 5.53 H new ATOM 0 HA THR A 9 -0.311 -11.462 8.564 1.00 5.48 H new ATOM 0 HB THR A 9 -2.076 -10.034 7.535 1.00 6.74 H new ATOM 0 HG1 THR A 9 -3.721 -11.830 8.306 1.00 7.10 H new ATOM 0 HG21 THR A 9 -1.997 -11.060 5.270 1.00 8.05 H new ATOM 0 HG22 THR A 9 -0.416 -11.143 6.084 1.00 8.05 H new ATOM 0 HG23 THR A 9 -1.447 -12.591 5.992 1.00 8.05 H new ATOM 129 N GLU A 10 -1.226 -10.292 10.618 1.00 3.79 N ATOM 130 CA GLU A 10 -1.634 -9.839 11.945 1.00 3.30 C ATOM 131 C GLU A 10 -1.658 -8.315 12.031 1.00 2.81 C ATOM 132 O GLU A 10 -2.684 -7.742 12.391 1.00 3.25 O ATOM 133 CB GLU A 10 -0.743 -10.484 13.021 1.00 4.10 C ATOM 134 CG GLU A 10 -1.526 -11.596 13.732 1.00 5.01 C ATOM 135 CD GLU A 10 -0.672 -12.410 14.710 1.00 6.11 C ATOM 136 OE1 GLU A 10 0.322 -11.853 15.226 1.00 6.41 O ATOM 137 OE2 GLU A 10 -1.048 -13.579 14.956 1.00 7.16 O ATOM 0 H GLU A 10 -0.356 -9.878 10.284 1.00 3.79 H new ATOM 0 HA GLU A 10 -2.657 -10.166 12.131 1.00 3.30 H new ATOM 0 HB2 GLU A 10 0.158 -10.893 12.565 1.00 4.10 H new ATOM 0 HB3 GLU A 10 -0.422 -9.732 13.742 1.00 4.10 H new ATOM 0 HG2 GLU A 10 -2.362 -11.153 14.273 1.00 5.01 H new ATOM 0 HG3 GLU A 10 -1.949 -12.267 12.985 1.00 5.01 H new ATOM 144 N GLU A 11 -0.565 -7.640 11.671 1.00 2.77 N ATOM 145 CA GLU A 11 -0.537 -6.177 11.607 1.00 2.58 C ATOM 146 C GLU A 11 -0.616 -5.731 10.140 1.00 2.13 C ATOM 147 O GLU A 11 -0.627 -4.546 9.839 1.00 3.24 O ATOM 148 CB GLU A 11 0.728 -5.675 12.333 1.00 3.25 C ATOM 149 CG GLU A 11 0.810 -4.147 12.485 1.00 3.38 C ATOM 150 CD GLU A 11 2.022 -3.718 13.319 1.00 4.83 C ATOM 151 OE1 GLU A 11 1.872 -3.620 14.557 1.00 5.38 O ATOM 152 OE2 GLU A 11 3.092 -3.475 12.710 1.00 5.85 O ATOM 0 H GLU A 11 0.317 -8.086 11.418 1.00 2.77 H new ATOM 0 HA GLU A 11 -1.397 -5.738 12.113 1.00 2.58 H new ATOM 0 HB2 GLU A 11 0.768 -6.129 13.323 1.00 3.25 H new ATOM 0 HB3 GLU A 11 1.606 -6.021 11.788 1.00 3.25 H new ATOM 0 HG2 GLU A 11 0.867 -3.687 11.499 1.00 3.38 H new ATOM 0 HG3 GLU A 11 -0.102 -3.780 12.955 1.00 3.38 H new ATOM 159 N ASP A 12 -0.669 -6.681 9.211 1.00 1.73 N ATOM 160 CA ASP A 12 -0.115 -6.572 7.878 1.00 1.41 C ATOM 161 C ASP A 12 -0.860 -7.545 6.977 1.00 1.37 C ATOM 162 O ASP A 12 -0.351 -8.592 6.597 1.00 2.08 O ATOM 163 CB ASP A 12 1.394 -6.882 7.924 1.00 1.72 C ATOM 164 CG ASP A 12 1.801 -8.181 8.652 1.00 2.79 C ATOM 165 OD1 ASP A 12 0.969 -8.768 9.392 1.00 4.15 O ATOM 166 OD2 ASP A 12 2.998 -8.516 8.529 1.00 3.55 O ATOM 0 H ASP A 12 -1.118 -7.581 9.379 1.00 1.73 H new ATOM 0 HA ASP A 12 -0.232 -5.563 7.483 1.00 1.41 H new ATOM 0 HB2 ASP A 12 1.765 -6.932 6.900 1.00 1.72 H new ATOM 0 HB3 ASP A 12 1.901 -6.046 8.406 1.00 1.72 H new ATOM 171 N THR A 13 -2.091 -7.182 6.620 1.00 1.07 N ATOM 172 CA THR A 13 -2.940 -7.939 5.704 1.00 1.05 C ATOM 173 C THR A 13 -2.478 -7.737 4.259 1.00 0.75 C ATOM 174 O THR A 13 -3.226 -7.234 3.419 1.00 1.22 O ATOM 175 CB THR A 13 -4.406 -7.539 5.925 1.00 1.38 C ATOM 176 OG1 THR A 13 -5.278 -8.209 5.042 1.00 1.59 O ATOM 177 CG2 THR A 13 -4.594 -6.034 5.760 1.00 1.40 C ATOM 0 H THR A 13 -2.536 -6.333 6.969 1.00 1.07 H new ATOM 0 HA THR A 13 -2.856 -9.007 5.907 1.00 1.05 H new ATOM 0 HB THR A 13 -4.654 -7.831 6.946 1.00 1.38 H new ATOM 0 HG1 THR A 13 -4.992 -8.052 4.118 1.00 1.59 H new ATOM 0 HG21 THR A 13 -5.641 -5.778 5.922 1.00 1.40 H new ATOM 0 HG22 THR A 13 -3.975 -5.508 6.487 1.00 1.40 H new ATOM 0 HG23 THR A 13 -4.300 -5.739 4.753 1.00 1.40 H new ATOM 185 N GLU A 14 -1.244 -8.106 3.946 1.00 0.53 N ATOM 186 CA GLU A 14 -0.756 -7.967 2.591 1.00 0.59 C ATOM 187 C GLU A 14 -1.653 -8.762 1.644 1.00 0.77 C ATOM 188 O GLU A 14 -1.847 -9.964 1.803 1.00 1.19 O ATOM 189 CB GLU A 14 0.714 -8.385 2.469 1.00 1.00 C ATOM 190 CG GLU A 14 1.094 -9.821 2.834 1.00 1.68 C ATOM 191 CD GLU A 14 2.594 -10.001 2.588 1.00 2.36 C ATOM 192 OE1 GLU A 14 3.377 -9.368 3.331 1.00 3.39 O ATOM 193 OE2 GLU A 14 2.939 -10.704 1.612 1.00 2.90 O ATOM 0 H GLU A 14 -0.573 -8.499 4.606 1.00 0.53 H new ATOM 0 HA GLU A 14 -0.797 -6.914 2.310 1.00 0.59 H new ATOM 0 HB2 GLU A 14 1.024 -8.211 1.439 1.00 1.00 H new ATOM 0 HB3 GLU A 14 1.303 -7.716 3.097 1.00 1.00 H new ATOM 0 HG2 GLU A 14 0.854 -10.023 3.878 1.00 1.68 H new ATOM 0 HG3 GLU A 14 0.523 -10.529 2.233 1.00 1.68 H new ATOM 200 N GLU A 15 -2.245 -8.069 0.678 1.00 0.85 N ATOM 201 CA GLU A 15 -3.112 -8.659 -0.316 1.00 1.03 C ATOM 202 C GLU A 15 -2.862 -7.959 -1.655 1.00 1.06 C ATOM 203 O GLU A 15 -1.934 -7.157 -1.780 1.00 2.19 O ATOM 204 CB GLU A 15 -4.573 -8.566 0.177 1.00 1.37 C ATOM 205 CG GLU A 15 -5.199 -9.948 0.412 1.00 1.60 C ATOM 206 CD GLU A 15 -5.626 -10.608 -0.899 1.00 2.59 C ATOM 207 OE1 GLU A 15 -4.750 -10.733 -1.784 1.00 3.77 O ATOM 208 OE2 GLU A 15 -6.827 -10.924 -1.030 1.00 3.16 O ATOM 0 H GLU A 15 -2.129 -7.062 0.568 1.00 0.85 H new ATOM 0 HA GLU A 15 -2.903 -9.718 -0.468 1.00 1.03 H new ATOM 0 HB2 GLU A 15 -4.605 -7.993 1.104 1.00 1.37 H new ATOM 0 HB3 GLU A 15 -5.167 -8.021 -0.556 1.00 1.37 H new ATOM 0 HG2 GLU A 15 -4.482 -10.589 0.925 1.00 1.60 H new ATOM 0 HG3 GLU A 15 -6.064 -9.848 1.068 1.00 1.60 H new ATOM 215 N LYS A 16 -3.682 -8.269 -2.660 1.00 0.93 N ATOM 216 CA LYS A 16 -3.660 -7.682 -3.990 1.00 0.86 C ATOM 217 C LYS A 16 -3.435 -6.173 -3.901 1.00 0.72 C ATOM 218 O LYS A 16 -4.185 -5.468 -3.226 1.00 0.93 O ATOM 219 CB LYS A 16 -4.981 -8.082 -4.675 1.00 1.01 C ATOM 220 CG LYS A 16 -5.295 -7.325 -5.972 1.00 2.32 C ATOM 221 CD LYS A 16 -6.303 -6.200 -5.713 1.00 3.62 C ATOM 222 CE LYS A 16 -6.481 -5.344 -6.966 1.00 5.35 C ATOM 223 NZ LYS A 16 -7.283 -4.138 -6.671 1.00 6.60 N ATOM 0 H LYS A 16 -4.414 -8.972 -2.558 1.00 0.93 H new ATOM 0 HA LYS A 16 -2.831 -8.052 -4.594 1.00 0.86 H new ATOM 0 HB2 LYS A 16 -4.951 -9.149 -4.894 1.00 1.01 H new ATOM 0 HB3 LYS A 16 -5.799 -7.924 -3.973 1.00 1.01 H new ATOM 0 HG2 LYS A 16 -4.377 -6.909 -6.387 1.00 2.32 H new ATOM 0 HG3 LYS A 16 -5.696 -8.016 -6.714 1.00 2.32 H new ATOM 0 HD2 LYS A 16 -7.262 -6.624 -5.416 1.00 3.62 H new ATOM 0 HD3 LYS A 16 -5.959 -5.578 -4.886 1.00 3.62 H new ATOM 0 HE2 LYS A 16 -5.505 -5.051 -7.353 1.00 5.35 H new ATOM 0 HE3 LYS A 16 -6.970 -5.929 -7.745 1.00 5.35 H new ATOM 0 HZ1 LYS A 16 -7.263 -3.499 -7.491 1.00 6.60 H new ATOM 0 HZ2 LYS A 16 -8.265 -4.415 -6.471 1.00 6.60 H new ATOM 0 HZ3 LYS A 16 -6.885 -3.651 -5.843 1.00 6.60 H new ATOM 237 N CYS A 17 -2.402 -5.667 -4.587 1.00 0.49 N ATOM 238 CA CYS A 17 -2.108 -4.260 -4.590 1.00 0.36 C ATOM 239 C CYS A 17 -3.299 -3.566 -5.243 1.00 0.38 C ATOM 240 O CYS A 17 -3.890 -4.033 -6.218 1.00 0.51 O ATOM 241 CB CYS A 17 -0.814 -3.976 -5.368 1.00 0.31 C ATOM 242 SG CYS A 17 0.068 -2.476 -4.824 1.00 0.42 S ATOM 0 H CYS A 17 -1.761 -6.231 -5.146 1.00 0.49 H new ATOM 0 HA CYS A 17 -1.952 -3.891 -3.576 1.00 0.36 H new ATOM 0 HB2 CYS A 17 -0.147 -4.833 -5.268 1.00 0.31 H new ATOM 0 HB3 CYS A 17 -1.053 -3.880 -6.427 1.00 0.31 H new ATOM 247 N THR A 18 -3.651 -2.414 -4.711 1.00 0.36 N ATOM 248 CA THR A 18 -4.790 -1.672 -5.208 1.00 0.44 C ATOM 249 C THR A 18 -4.305 -0.355 -5.791 1.00 0.39 C ATOM 250 O THR A 18 -4.928 0.180 -6.701 1.00 0.52 O ATOM 251 CB THR A 18 -5.853 -1.619 -4.110 1.00 0.56 C ATOM 252 OG1 THR A 18 -7.085 -2.093 -4.622 1.00 1.65 O ATOM 253 CG2 THR A 18 -6.009 -0.231 -3.511 1.00 1.35 C ATOM 0 H THR A 18 -3.163 -1.971 -3.933 1.00 0.36 H new ATOM 0 HA THR A 18 -5.297 -2.152 -6.045 1.00 0.44 H new ATOM 0 HB THR A 18 -5.523 -2.265 -3.296 1.00 0.56 H new ATOM 0 HG1 THR A 18 -7.766 -2.061 -3.918 1.00 1.65 H new ATOM 0 HG21 THR A 18 -6.776 -0.253 -2.737 1.00 1.35 H new ATOM 0 HG22 THR A 18 -5.062 0.085 -3.074 1.00 1.35 H new ATOM 0 HG23 THR A 18 -6.301 0.472 -4.292 1.00 1.35 H new ATOM 261 N ILE A 19 -3.135 0.113 -5.359 1.00 0.29 N ATOM 262 CA ILE A 19 -2.479 1.243 -5.972 1.00 0.41 C ATOM 263 C ILE A 19 -1.984 0.830 -7.353 1.00 0.51 C ATOM 264 O ILE A 19 -2.167 1.570 -8.313 1.00 0.63 O ATOM 265 CB ILE A 19 -1.373 1.717 -5.023 1.00 0.40 C ATOM 266 CG1 ILE A 19 -2.024 2.253 -3.735 1.00 0.34 C ATOM 267 CG2 ILE A 19 -0.524 2.809 -5.653 1.00 0.58 C ATOM 268 CD1 ILE A 19 -2.071 1.216 -2.616 1.00 0.32 C ATOM 0 H ILE A 19 -2.623 -0.288 -4.573 1.00 0.29 H new ATOM 0 HA ILE A 19 -3.150 2.087 -6.128 1.00 0.41 H new ATOM 0 HB ILE A 19 -0.720 0.873 -4.803 1.00 0.40 H new ATOM 0 HG12 ILE A 19 -1.470 3.127 -3.391 1.00 0.34 H new ATOM 0 HG13 ILE A 19 -3.038 2.586 -3.958 1.00 0.34 H new ATOM 0 HG21 ILE A 19 0.249 3.120 -4.950 1.00 0.58 H new ATOM 0 HG22 ILE A 19 -0.057 2.428 -6.561 1.00 0.58 H new ATOM 0 HG23 ILE A 19 -1.154 3.663 -5.900 1.00 0.58 H new ATOM 0 HD11 ILE A 19 -2.541 1.653 -1.735 1.00 0.32 H new ATOM 0 HD12 ILE A 19 -2.649 0.352 -2.945 1.00 0.32 H new ATOM 0 HD13 ILE A 19 -1.057 0.901 -2.369 1.00 0.32 H new ATOM 280 N CYS A 20 -1.422 -0.379 -7.478 1.00 0.48 N ATOM 281 CA CYS A 20 -1.048 -0.887 -8.794 1.00 0.57 C ATOM 282 C CYS A 20 -2.241 -1.553 -9.498 1.00 0.49 C ATOM 283 O CYS A 20 -2.040 -2.205 -10.519 1.00 0.53 O ATOM 284 CB CYS A 20 0.093 -1.899 -8.673 1.00 0.66 C ATOM 285 SG CYS A 20 1.547 -1.170 -7.867 1.00 1.09 S ATOM 0 H CYS A 20 -1.222 -1.008 -6.700 1.00 0.48 H new ATOM 0 HA CYS A 20 -0.721 -0.035 -9.390 1.00 0.57 H new ATOM 0 HB2 CYS A 20 -0.245 -2.764 -8.102 1.00 0.66 H new ATOM 0 HB3 CYS A 20 0.368 -2.259 -9.664 1.00 0.66 H new ATOM 290 N LEU A 21 -3.464 -1.441 -8.955 1.00 0.47 N ATOM 291 CA LEU A 21 -4.666 -2.113 -9.454 1.00 0.55 C ATOM 292 C LEU A 21 -4.412 -3.547 -9.948 1.00 0.57 C ATOM 293 O LEU A 21 -4.950 -3.971 -10.968 1.00 0.88 O ATOM 294 CB LEU A 21 -5.372 -1.239 -10.485 1.00 0.74 C ATOM 295 CG LEU A 21 -6.297 -0.221 -9.801 1.00 0.91 C ATOM 296 CD1 LEU A 21 -5.672 1.167 -9.779 1.00 1.10 C ATOM 297 CD2 LEU A 21 -7.641 -0.214 -10.520 1.00 1.00 C ATOM 0 H LEU A 21 -3.645 -0.863 -8.134 1.00 0.47 H new ATOM 0 HA LEU A 21 -5.340 -2.241 -8.607 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -4.633 -0.715 -11.090 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -5.952 -1.866 -11.162 1.00 0.74 H new ATOM 0 HG LEU A 21 -6.448 -0.513 -8.762 1.00 0.91 H new ATOM 0 HD11 LEU A 21 -6.351 1.864 -9.288 1.00 1.10 H new ATOM 0 HD12 LEU A 21 -4.730 1.133 -9.232 1.00 1.10 H new ATOM 0 HD13 LEU A 21 -5.487 1.499 -10.801 1.00 1.10 H new ATOM 0 HD21 LEU A 21 -8.306 0.506 -10.042 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -7.494 0.065 -11.563 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -8.086 -1.208 -10.469 1.00 1.00 H new ATOM 309 N SER A 22 -3.615 -4.326 -9.218 1.00 0.40 N ATOM 310 CA SER A 22 -3.230 -5.677 -9.616 1.00 0.42 C ATOM 311 C SER A 22 -2.633 -6.415 -8.424 1.00 0.38 C ATOM 312 O SER A 22 -2.191 -5.799 -7.460 1.00 0.35 O ATOM 313 CB SER A 22 -2.196 -5.626 -10.748 1.00 0.51 C ATOM 314 OG SER A 22 -2.846 -5.513 -11.996 1.00 1.50 O ATOM 0 H SER A 22 -3.216 -4.034 -8.326 1.00 0.40 H new ATOM 0 HA SER A 22 -4.118 -6.202 -9.967 1.00 0.42 H new ATOM 0 HB2 SER A 22 -1.526 -4.779 -10.601 1.00 0.51 H new ATOM 0 HB3 SER A 22 -1.581 -6.526 -10.730 1.00 0.51 H new ATOM 0 HG SER A 22 -3.656 -4.971 -11.895 1.00 1.50 H new ATOM 320 N ILE A 23 -2.609 -7.746 -8.484 1.00 0.50 N ATOM 321 CA ILE A 23 -1.969 -8.563 -7.475 1.00 0.56 C ATOM 322 C ILE A 23 -0.512 -8.138 -7.310 1.00 0.53 C ATOM 323 O ILE A 23 0.121 -7.669 -8.256 1.00 0.53 O ATOM 324 CB ILE A 23 -2.108 -10.048 -7.822 1.00 0.66 C ATOM 325 CG1 ILE A 23 -1.977 -10.306 -9.329 1.00 0.82 C ATOM 326 CG2 ILE A 23 -3.399 -10.599 -7.197 1.00 0.79 C ATOM 327 CD1 ILE A 23 -3.311 -10.521 -10.038 1.00 2.74 C ATOM 0 H ILE A 23 -3.037 -8.282 -9.239 1.00 0.50 H new ATOM 0 HA ILE A 23 -2.465 -8.414 -6.516 1.00 0.56 H new ATOM 0 HB ILE A 23 -1.277 -10.602 -7.386 1.00 0.66 H new ATOM 0 HG12 ILE A 23 -1.464 -9.461 -9.789 1.00 0.82 H new ATOM 0 HG13 ILE A 23 -1.349 -11.183 -9.484 1.00 0.82 H new ATOM 0 HG21 ILE A 23 -3.500 -11.656 -7.443 1.00 0.79 H new ATOM 0 HG22 ILE A 23 -3.358 -10.481 -6.114 1.00 0.79 H new ATOM 0 HG23 ILE A 23 -4.256 -10.052 -7.590 1.00 0.79 H new ATOM 0 HD11 ILE A 23 -3.135 -10.697 -11.099 1.00 2.74 H new ATOM 0 HD12 ILE A 23 -3.818 -11.384 -9.606 1.00 2.74 H new ATOM 0 HD13 ILE A 23 -3.935 -9.636 -9.916 1.00 2.74 H new ATOM 339 N LEU A 24 0.005 -8.275 -6.088 1.00 0.56 N ATOM 340 CA LEU A 24 1.406 -8.060 -5.819 1.00 0.58 C ATOM 341 C LEU A 24 2.242 -9.082 -6.578 1.00 0.72 C ATOM 342 O LEU A 24 1.749 -10.110 -7.037 1.00 0.82 O ATOM 343 CB LEU A 24 1.662 -8.165 -4.306 1.00 0.65 C ATOM 344 CG LEU A 24 1.474 -6.846 -3.551 1.00 0.46 C ATOM 345 CD1 LEU A 24 1.707 -7.054 -2.054 1.00 0.53 C ATOM 346 CD2 LEU A 24 2.431 -5.761 -4.041 1.00 0.52 C ATOM 0 H LEU A 24 -0.542 -8.537 -5.268 1.00 0.56 H new ATOM 0 HA LEU A 24 1.693 -7.063 -6.154 1.00 0.58 H new ATOM 0 HB2 LEU A 24 0.989 -8.912 -3.885 1.00 0.65 H new ATOM 0 HB3 LEU A 24 2.679 -8.523 -4.144 1.00 0.65 H new ATOM 0 HG LEU A 24 0.451 -6.520 -3.738 1.00 0.46 H new ATOM 0 HD11 LEU A 24 1.570 -6.108 -1.530 1.00 0.53 H new ATOM 0 HD12 LEU A 24 0.995 -7.786 -1.673 1.00 0.53 H new ATOM 0 HD13 LEU A 24 2.722 -7.416 -1.891 1.00 0.53 H new ATOM 0 HD21 LEU A 24 2.261 -4.844 -3.477 1.00 0.52 H new ATOM 0 HD22 LEU A 24 3.460 -6.091 -3.896 1.00 0.52 H new ATOM 0 HD23 LEU A 24 2.256 -5.573 -5.100 1.00 0.52 H new ATOM 358 N GLU A 25 3.533 -8.784 -6.672 1.00 0.81 N ATOM 359 CA GLU A 25 4.510 -9.602 -7.364 1.00 1.01 C ATOM 360 C GLU A 25 5.822 -9.518 -6.595 1.00 0.75 C ATOM 361 O GLU A 25 6.066 -8.532 -5.895 1.00 0.94 O ATOM 362 CB GLU A 25 4.673 -9.135 -8.814 1.00 1.31 C ATOM 363 CG GLU A 25 5.277 -7.731 -8.845 1.00 1.19 C ATOM 364 CD GLU A 25 5.314 -7.124 -10.244 1.00 1.46 C ATOM 365 OE1 GLU A 25 5.663 -7.863 -11.190 1.00 2.40 O ATOM 366 OE2 GLU A 25 5.010 -5.913 -10.329 1.00 1.95 O ATOM 0 H GLU A 25 3.935 -7.944 -6.256 1.00 0.81 H new ATOM 0 HA GLU A 25 4.180 -10.640 -7.404 1.00 1.01 H new ATOM 0 HB2 GLU A 25 5.314 -9.828 -9.358 1.00 1.31 H new ATOM 0 HB3 GLU A 25 3.705 -9.135 -9.316 1.00 1.31 H new ATOM 0 HG2 GLU A 25 4.700 -7.080 -8.188 1.00 1.19 H new ATOM 0 HG3 GLU A 25 6.290 -7.769 -8.446 1.00 1.19 H new ATOM 373 N GLU A 26 6.673 -10.531 -6.740 1.00 0.79 N ATOM 374 CA GLU A 26 7.934 -10.635 -6.033 1.00 0.93 C ATOM 375 C GLU A 26 9.012 -9.873 -6.811 1.00 1.11 C ATOM 376 O GLU A 26 9.975 -10.454 -7.303 1.00 1.56 O ATOM 377 CB GLU A 26 8.245 -12.127 -5.835 1.00 1.44 C ATOM 378 CG GLU A 26 9.243 -12.366 -4.695 1.00 2.20 C ATOM 379 CD GLU A 26 8.880 -13.624 -3.900 1.00 2.57 C ATOM 380 OE1 GLU A 26 7.811 -13.592 -3.251 1.00 3.08 O ATOM 381 OE2 GLU A 26 9.664 -14.597 -3.955 1.00 3.26 O ATOM 0 H GLU A 26 6.496 -11.316 -7.367 1.00 0.79 H new ATOM 0 HA GLU A 26 7.893 -10.177 -5.045 1.00 0.93 H new ATOM 0 HB2 GLU A 26 7.320 -12.664 -5.624 1.00 1.44 H new ATOM 0 HB3 GLU A 26 8.648 -12.538 -6.760 1.00 1.44 H new ATOM 0 HG2 GLU A 26 10.249 -12.467 -5.103 1.00 2.20 H new ATOM 0 HG3 GLU A 26 9.254 -11.502 -4.030 1.00 2.20 H new ATOM 388 N GLY A 27 8.812 -8.563 -6.972 1.00 1.46 N ATOM 389 CA GLY A 27 9.632 -7.735 -7.844 1.00 2.07 C ATOM 390 C GLY A 27 10.813 -7.144 -7.086 1.00 1.63 C ATOM 391 O GLY A 27 11.964 -7.346 -7.461 1.00 1.93 O ATOM 0 H GLY A 27 8.071 -8.049 -6.496 1.00 1.46 H new ATOM 0 HA2 GLY A 27 9.995 -8.331 -8.681 1.00 2.07 H new ATOM 0 HA3 GLY A 27 9.026 -6.932 -8.263 1.00 2.07 H new ATOM 395 N GLU A 28 10.530 -6.389 -6.026 1.00 1.07 N ATOM 396 CA GLU A 28 11.522 -5.761 -5.185 1.00 0.77 C ATOM 397 C GLU A 28 11.005 -5.770 -3.749 1.00 0.56 C ATOM 398 O GLU A 28 10.045 -6.473 -3.433 1.00 0.66 O ATOM 399 CB GLU A 28 11.737 -4.329 -5.674 1.00 1.06 C ATOM 400 CG GLU A 28 13.202 -3.934 -5.501 1.00 1.35 C ATOM 401 CD GLU A 28 13.348 -2.422 -5.341 1.00 1.76 C ATOM 402 OE1 GLU A 28 13.145 -1.959 -4.194 1.00 2.54 O ATOM 403 OE2 GLU A 28 13.636 -1.753 -6.357 1.00 2.37 O ATOM 0 H GLU A 28 9.573 -6.198 -5.728 1.00 1.07 H new ATOM 0 HA GLU A 28 12.472 -6.294 -5.226 1.00 0.77 H new ATOM 0 HB2 GLU A 28 11.451 -4.247 -6.723 1.00 1.06 H new ATOM 0 HB3 GLU A 28 11.099 -3.645 -5.115 1.00 1.06 H new ATOM 0 HG2 GLU A 28 13.617 -4.437 -4.628 1.00 1.35 H new ATOM 0 HG3 GLU A 28 13.777 -4.269 -6.365 1.00 1.35 H new ATOM 410 N ASP A 29 11.623 -4.968 -2.886 1.00 0.51 N ATOM 411 CA ASP A 29 11.206 -4.863 -1.499 1.00 0.46 C ATOM 412 C ASP A 29 9.829 -4.209 -1.434 1.00 0.42 C ATOM 413 O ASP A 29 9.538 -3.235 -2.130 1.00 0.53 O ATOM 414 CB ASP A 29 12.229 -4.072 -0.667 1.00 0.67 C ATOM 415 CG ASP A 29 13.079 -5.005 0.194 1.00 1.23 C ATOM 416 OD1 ASP A 29 12.460 -5.817 0.916 1.00 2.13 O ATOM 417 OD2 ASP A 29 14.321 -4.879 0.139 1.00 2.33 O ATOM 0 H ASP A 29 12.419 -4.379 -3.130 1.00 0.51 H new ATOM 0 HA ASP A 29 11.149 -5.864 -1.072 1.00 0.46 H new ATOM 0 HB2 ASP A 29 12.874 -3.496 -1.330 1.00 0.67 H new ATOM 0 HB3 ASP A 29 11.709 -3.357 -0.029 1.00 0.67 H new ATOM 422 N VAL A 30 8.962 -4.741 -0.576 1.00 0.45 N ATOM 423 CA VAL A 30 7.648 -4.175 -0.354 1.00 0.40 C ATOM 424 C VAL A 30 7.665 -3.291 0.893 1.00 0.36 C ATOM 425 O VAL A 30 8.674 -3.214 1.594 1.00 0.42 O ATOM 426 CB VAL A 30 6.603 -5.278 -0.243 1.00 0.43 C ATOM 427 CG1 VAL A 30 6.323 -5.895 -1.605 1.00 0.55 C ATOM 428 CG2 VAL A 30 7.011 -6.342 0.759 1.00 0.45 C ATOM 0 H VAL A 30 9.156 -5.574 -0.020 1.00 0.45 H new ATOM 0 HA VAL A 30 7.378 -3.552 -1.207 1.00 0.40 H new ATOM 0 HB VAL A 30 5.684 -4.822 0.124 1.00 0.43 H new ATOM 0 HG11 VAL A 30 5.574 -6.680 -1.502 1.00 0.55 H new ATOM 0 HG12 VAL A 30 5.952 -5.127 -2.283 1.00 0.55 H new ATOM 0 HG13 VAL A 30 7.242 -6.321 -2.007 1.00 0.55 H new ATOM 0 HG21 VAL A 30 6.239 -7.110 0.809 1.00 0.45 H new ATOM 0 HG22 VAL A 30 7.953 -6.793 0.447 1.00 0.45 H new ATOM 0 HG23 VAL A 30 7.134 -5.888 1.742 1.00 0.45 H new ATOM 438 N ARG A 31 6.556 -2.616 1.205 1.00 0.32 N ATOM 439 CA ARG A 31 6.468 -1.862 2.450 1.00 0.38 C ATOM 440 C ARG A 31 5.016 -1.655 2.858 1.00 0.35 C ATOM 441 O ARG A 31 4.142 -1.461 2.021 1.00 0.36 O ATOM 442 CB ARG A 31 7.191 -0.514 2.323 1.00 0.44 C ATOM 443 CG ARG A 31 8.051 -0.160 3.537 1.00 0.62 C ATOM 444 CD ARG A 31 9.267 -1.092 3.593 1.00 1.45 C ATOM 445 NE ARG A 31 10.288 -0.611 4.537 1.00 1.83 N ATOM 446 CZ ARG A 31 10.219 -0.678 5.872 1.00 2.68 C ATOM 447 NH1 ARG A 31 9.166 -1.248 6.460 1.00 4.03 N ATOM 448 NH2 ARG A 31 11.200 -0.173 6.620 1.00 2.92 N ATOM 0 H ARG A 31 5.721 -2.578 0.621 1.00 0.32 H new ATOM 0 HA ARG A 31 6.961 -2.442 3.230 1.00 0.38 H new ATOM 0 HB2 ARG A 31 7.823 -0.533 1.435 1.00 0.44 H new ATOM 0 HB3 ARG A 31 6.451 0.272 2.171 1.00 0.44 H new ATOM 0 HG2 ARG A 31 8.378 0.878 3.474 1.00 0.62 H new ATOM 0 HG3 ARG A 31 7.465 -0.255 4.451 1.00 0.62 H new ATOM 0 HD2 ARG A 31 8.945 -2.091 3.886 1.00 1.45 H new ATOM 0 HD3 ARG A 31 9.705 -1.177 2.598 1.00 1.45 H new ATOM 0 HE ARG A 31 11.125 -0.188 4.137 1.00 1.83 H new ATOM 0 HH11 ARG A 31 8.412 -1.634 5.892 1.00 4.03 H new ATOM 0 HH12 ARG A 31 9.115 -1.298 7.478 1.00 4.03 H new ATOM 0 HH21 ARG A 31 12.006 0.266 6.175 1.00 2.92 H new ATOM 0 HH22 ARG A 31 11.145 -0.226 7.637 1.00 2.92 H new ATOM 462 N ARG A 32 4.756 -1.667 4.164 1.00 0.38 N ATOM 463 CA ARG A 32 3.433 -1.456 4.706 1.00 0.39 C ATOM 464 C ARG A 32 3.304 -0.051 5.242 1.00 0.40 C ATOM 465 O ARG A 32 4.294 0.525 5.690 1.00 0.52 O ATOM 466 CB ARG A 32 3.128 -2.518 5.768 1.00 0.57 C ATOM 467 CG ARG A 32 4.086 -2.519 6.969 1.00 0.72 C ATOM 468 CD ARG A 32 4.028 -3.874 7.682 1.00 1.28 C ATOM 469 NE ARG A 32 5.251 -4.108 8.468 1.00 1.62 N ATOM 470 CZ ARG A 32 5.447 -3.753 9.743 1.00 2.01 C ATOM 471 NH1 ARG A 32 4.464 -3.190 10.437 1.00 3.33 N ATOM 472 NH2 ARG A 32 6.636 -3.958 10.315 1.00 2.38 N ATOM 0 H ARG A 32 5.470 -1.826 4.875 1.00 0.38 H new ATOM 0 HA ARG A 32 2.691 -1.564 3.915 1.00 0.39 H new ATOM 0 HB2 ARG A 32 2.112 -2.367 6.132 1.00 0.57 H new ATOM 0 HB3 ARG A 32 3.156 -3.501 5.298 1.00 0.57 H new ATOM 0 HG2 ARG A 32 5.103 -2.318 6.634 1.00 0.72 H new ATOM 0 HG3 ARG A 32 3.815 -1.722 7.662 1.00 0.72 H new ATOM 0 HD2 ARG A 32 3.158 -3.907 8.338 1.00 1.28 H new ATOM 0 HD3 ARG A 32 3.905 -4.670 6.948 1.00 1.28 H new ATOM 0 HE ARG A 32 6.020 -4.585 7.997 1.00 1.62 H new ATOM 0 HH11 ARG A 32 3.558 -3.028 9.998 1.00 3.33 H new ATOM 0 HH12 ARG A 32 4.616 -2.920 11.409 1.00 3.33 H new ATOM 0 HH21 ARG A 32 7.393 -4.384 9.780 1.00 2.38 H new ATOM 0 HH22 ARG A 32 6.788 -3.688 11.287 1.00 2.38 H new ATOM 486 N LEU A 33 2.095 0.504 5.167 1.00 0.37 N ATOM 487 CA LEU A 33 1.879 1.831 5.732 1.00 0.40 C ATOM 488 C LEU A 33 1.821 1.658 7.250 1.00 0.43 C ATOM 489 O LEU A 33 1.362 0.613 7.712 1.00 0.46 O ATOM 490 CB LEU A 33 0.623 2.555 5.204 1.00 0.47 C ATOM 491 CG LEU A 33 0.063 2.074 3.870 1.00 0.45 C ATOM 492 CD1 LEU A 33 -1.125 1.143 4.108 1.00 0.95 C ATOM 493 CD2 LEU A 33 -0.376 3.250 3.000 1.00 0.89 C ATOM 0 H LEU A 33 1.277 0.072 4.736 1.00 0.37 H new ATOM 0 HA LEU A 33 2.701 2.478 5.425 1.00 0.40 H new ATOM 0 HB2 LEU A 33 -0.162 2.465 5.955 1.00 0.47 H new ATOM 0 HB3 LEU A 33 0.856 3.616 5.112 1.00 0.47 H new ATOM 0 HG LEU A 33 0.853 1.535 3.348 1.00 0.45 H new ATOM 0 HD11 LEU A 33 -1.519 0.804 3.150 1.00 0.95 H new ATOM 0 HD12 LEU A 33 -0.801 0.282 4.692 1.00 0.95 H new ATOM 0 HD13 LEU A 33 -1.904 1.678 4.652 1.00 0.95 H new ATOM 0 HD21 LEU A 33 -0.771 2.876 2.055 1.00 0.89 H new ATOM 0 HD22 LEU A 33 -1.150 3.817 3.518 1.00 0.89 H new ATOM 0 HD23 LEU A 33 0.479 3.897 2.805 1.00 0.89 H new ATOM 505 N PRO A 34 2.203 2.672 8.040 1.00 0.51 N ATOM 506 CA PRO A 34 2.195 2.583 9.495 1.00 0.61 C ATOM 507 C PRO A 34 0.793 2.358 10.075 1.00 0.59 C ATOM 508 O PRO A 34 0.682 1.988 11.237 1.00 0.74 O ATOM 509 CB PRO A 34 2.853 3.873 9.994 1.00 0.75 C ATOM 510 CG PRO A 34 2.674 4.852 8.836 1.00 0.67 C ATOM 511 CD PRO A 34 2.715 3.955 7.600 1.00 0.58 C ATOM 0 HA PRO A 34 2.749 1.708 9.835 1.00 0.61 H new ATOM 0 HB2 PRO A 34 2.375 4.239 10.903 1.00 0.75 H new ATOM 0 HB3 PRO A 34 3.907 3.719 10.227 1.00 0.75 H new ATOM 0 HG2 PRO A 34 1.730 5.392 8.909 1.00 0.67 H new ATOM 0 HG3 PRO A 34 3.467 5.599 8.816 1.00 0.67 H new ATOM 0 HD2 PRO A 34 2.106 4.366 6.795 1.00 0.58 H new ATOM 0 HD3 PRO A 34 3.731 3.862 7.215 1.00 0.58 H new ATOM 519 N CYS A 35 -0.258 2.525 9.263 1.00 0.52 N ATOM 520 CA CYS A 35 -1.608 2.059 9.553 1.00 0.55 C ATOM 521 C CYS A 35 -1.573 0.600 10.020 1.00 0.62 C ATOM 522 O CYS A 35 -2.047 0.303 11.110 1.00 0.92 O ATOM 523 CB CYS A 35 -2.445 2.201 8.273 1.00 0.61 C ATOM 524 SG CYS A 35 -3.987 1.242 8.319 1.00 1.16 S ATOM 0 H CYS A 35 -0.185 3.001 8.364 1.00 0.52 H new ATOM 0 HA CYS A 35 -2.052 2.652 10.352 1.00 0.55 H new ATOM 0 HB2 CYS A 35 -2.683 3.253 8.117 1.00 0.61 H new ATOM 0 HB3 CYS A 35 -1.849 1.879 7.419 1.00 0.61 H new ATOM 529 N MET A 36 -1.092 -0.300 9.152 1.00 0.46 N ATOM 530 CA MET A 36 -1.228 -1.750 9.207 1.00 0.51 C ATOM 531 C MET A 36 -1.076 -2.306 7.785 1.00 0.50 C ATOM 532 O MET A 36 -0.153 -3.060 7.487 1.00 0.77 O ATOM 533 CB MET A 36 -2.583 -2.177 9.811 1.00 0.61 C ATOM 534 CG MET A 36 -2.506 -2.523 11.306 1.00 1.58 C ATOM 535 SD MET A 36 -4.014 -2.186 12.266 1.00 2.71 S ATOM 536 CE MET A 36 -5.241 -3.140 11.339 1.00 3.68 C ATOM 0 H MET A 36 -0.559 -0.005 8.334 1.00 0.46 H new ATOM 0 HA MET A 36 -0.451 -2.153 9.857 1.00 0.51 H new ATOM 0 HB2 MET A 36 -3.305 -1.373 9.669 1.00 0.61 H new ATOM 0 HB3 MET A 36 -2.959 -3.042 9.265 1.00 0.61 H new ATOM 0 HG2 MET A 36 -2.262 -3.581 11.404 1.00 1.58 H new ATOM 0 HG3 MET A 36 -1.682 -1.964 11.749 1.00 1.58 H new ATOM 0 HE1 MET A 36 -6.199 -3.103 11.858 1.00 3.68 H new ATOM 0 HE2 MET A 36 -5.353 -2.716 10.341 1.00 3.68 H new ATOM 0 HE3 MET A 36 -4.911 -4.176 11.259 1.00 3.68 H new ATOM 546 N HIS A 37 -2.007 -1.944 6.891 1.00 0.37 N ATOM 547 CA HIS A 37 -2.155 -2.592 5.589 1.00 0.35 C ATOM 548 C HIS A 37 -0.832 -2.540 4.805 1.00 0.29 C ATOM 549 O HIS A 37 -0.082 -1.571 4.915 1.00 0.37 O ATOM 550 CB HIS A 37 -3.279 -1.930 4.772 1.00 0.40 C ATOM 551 CG HIS A 37 -4.671 -1.887 5.396 1.00 0.55 C ATOM 552 ND1 HIS A 37 -5.339 -0.802 5.993 1.00 0.59 N ATOM 553 CD2 HIS A 37 -5.573 -2.908 5.294 1.00 0.87 C ATOM 554 CE1 HIS A 37 -6.597 -1.199 6.236 1.00 0.89 C ATOM 555 NE2 HIS A 37 -6.756 -2.478 5.857 1.00 1.03 N ATOM 0 H HIS A 37 -2.677 -1.193 7.055 1.00 0.37 H new ATOM 0 HA HIS A 37 -2.420 -3.635 5.761 1.00 0.35 H new ATOM 0 HB2 HIS A 37 -2.977 -0.906 4.552 1.00 0.40 H new ATOM 0 HB3 HIS A 37 -3.354 -2.452 3.818 1.00 0.40 H new ATOM 0 HD2 HIS A 37 -5.392 -3.877 4.852 1.00 0.87 H new ATOM 0 HE1 HIS A 37 -7.368 -0.581 6.672 1.00 0.89 H new ATOM 0 HE2 HIS A 37 -7.604 -3.034 5.967 1.00 1.03 H new ATOM 563 N LEU A 38 -0.541 -3.554 3.984 1.00 0.25 N ATOM 564 CA LEU A 38 0.746 -3.638 3.292 1.00 0.24 C ATOM 565 C LEU A 38 0.582 -3.452 1.791 1.00 0.23 C ATOM 566 O LEU A 38 -0.450 -3.822 1.237 1.00 0.25 O ATOM 567 CB LEU A 38 1.446 -4.951 3.635 1.00 0.28 C ATOM 568 CG LEU A 38 2.817 -5.158 2.967 1.00 0.33 C ATOM 569 CD1 LEU A 38 3.733 -6.013 3.848 1.00 0.86 C ATOM 570 CD2 LEU A 38 2.730 -5.835 1.593 1.00 0.75 C ATOM 0 H LEU A 38 -1.178 -4.325 3.784 1.00 0.25 H new ATOM 0 HA LEU A 38 1.380 -2.822 3.639 1.00 0.24 H new ATOM 0 HB2 LEU A 38 1.575 -5.003 4.716 1.00 0.28 H new ATOM 0 HB3 LEU A 38 0.793 -5.777 3.351 1.00 0.28 H new ATOM 0 HG LEU A 38 3.222 -4.155 2.835 1.00 0.33 H new ATOM 0 HD11 LEU A 38 4.695 -6.144 3.353 1.00 0.86 H new ATOM 0 HD12 LEU A 38 3.883 -5.516 4.807 1.00 0.86 H new ATOM 0 HD13 LEU A 38 3.274 -6.988 4.012 1.00 0.86 H new ATOM 0 HD21 LEU A 38 3.732 -5.950 1.180 1.00 0.75 H new ATOM 0 HD22 LEU A 38 2.267 -6.816 1.699 1.00 0.75 H new ATOM 0 HD23 LEU A 38 2.129 -5.221 0.922 1.00 0.75 H new ATOM 582 N PHE A 39 1.617 -2.909 1.144 1.00 0.22 N ATOM 583 CA PHE A 39 1.648 -2.673 -0.301 1.00 0.21 C ATOM 584 C PHE A 39 3.074 -2.815 -0.834 1.00 0.22 C ATOM 585 O PHE A 39 3.962 -3.229 -0.101 1.00 0.29 O ATOM 586 CB PHE A 39 1.071 -1.280 -0.590 1.00 0.22 C ATOM 587 CG PHE A 39 -0.438 -1.260 -0.512 1.00 0.22 C ATOM 588 CD1 PHE A 39 -1.189 -2.084 -1.370 1.00 1.39 C ATOM 589 CD2 PHE A 39 -1.089 -0.476 0.453 1.00 1.46 C ATOM 590 CE1 PHE A 39 -2.589 -2.105 -1.284 1.00 1.37 C ATOM 591 CE2 PHE A 39 -2.490 -0.500 0.543 1.00 1.49 C ATOM 592 CZ PHE A 39 -3.240 -1.288 -0.351 1.00 0.32 C ATOM 0 H PHE A 39 2.471 -2.616 1.618 1.00 0.22 H new ATOM 0 HA PHE A 39 1.038 -3.417 -0.813 1.00 0.21 H new ATOM 0 HB2 PHE A 39 1.480 -0.564 0.123 1.00 0.22 H new ATOM 0 HB3 PHE A 39 1.386 -0.957 -1.582 1.00 0.22 H new ATOM 0 HD1 PHE A 39 -0.686 -2.703 -2.098 1.00 1.39 H new ATOM 0 HD2 PHE A 39 -0.514 0.144 1.125 1.00 1.46 H new ATOM 0 HE1 PHE A 39 -3.163 -2.749 -1.935 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -2.993 0.086 1.298 1.00 1.49 H new ATOM 0 HZ PHE A 39 -4.319 -1.262 -0.317 1.00 0.32 H new ATOM 602 N HIS A 40 3.337 -2.491 -2.107 1.00 0.25 N ATOM 603 CA HIS A 40 4.725 -2.334 -2.520 1.00 0.38 C ATOM 604 C HIS A 40 5.313 -1.120 -1.821 1.00 0.37 C ATOM 605 O HIS A 40 4.607 -0.157 -1.545 1.00 0.35 O ATOM 606 CB HIS A 40 4.888 -2.109 -4.025 1.00 0.58 C ATOM 607 CG HIS A 40 4.605 -3.258 -4.948 1.00 0.54 C ATOM 608 ND1 HIS A 40 3.534 -3.317 -5.845 1.00 0.57 N ATOM 609 CD2 HIS A 40 5.502 -4.247 -5.236 1.00 0.64 C ATOM 610 CE1 HIS A 40 3.832 -4.329 -6.681 1.00 0.71 C ATOM 611 NE2 HIS A 40 4.989 -4.926 -6.320 1.00 0.77 N ATOM 0 H HIS A 40 2.638 -2.340 -2.835 1.00 0.25 H new ATOM 0 HA HIS A 40 5.233 -3.261 -2.255 1.00 0.38 H new ATOM 0 HB2 HIS A 40 4.236 -1.284 -4.311 1.00 0.58 H new ATOM 0 HB3 HIS A 40 5.912 -1.783 -4.204 1.00 0.58 H new ATOM 0 HD2 HIS A 40 6.427 -4.455 -4.719 1.00 0.64 H new ATOM 0 HE1 HIS A 40 3.228 -4.624 -7.526 1.00 0.71 H new ATOM 0 HE2 HIS A 40 5.410 -5.738 -6.771 1.00 0.77 H new ATOM 619 N GLN A 41 6.630 -1.124 -1.643 1.00 0.42 N ATOM 620 CA GLN A 41 7.365 0.028 -1.173 1.00 0.42 C ATOM 621 C GLN A 41 7.170 1.181 -2.141 1.00 0.41 C ATOM 622 O GLN A 41 6.650 2.231 -1.778 1.00 0.38 O ATOM 623 CB GLN A 41 8.844 -0.373 -1.026 1.00 0.45 C ATOM 624 CG GLN A 41 9.756 0.738 -0.494 1.00 0.54 C ATOM 625 CD GLN A 41 10.511 1.436 -1.623 1.00 1.07 C ATOM 626 OE1 GLN A 41 10.248 2.592 -1.927 1.00 2.23 O ATOM 627 NE2 GLN A 41 11.444 0.747 -2.269 1.00 1.69 N ATOM 0 H GLN A 41 7.216 -1.939 -1.825 1.00 0.42 H new ATOM 0 HA GLN A 41 7.002 0.362 -0.201 1.00 0.42 H new ATOM 0 HB2 GLN A 41 8.910 -1.231 -0.357 1.00 0.45 H new ATOM 0 HB3 GLN A 41 9.217 -0.698 -1.997 1.00 0.45 H new ATOM 0 HG2 GLN A 41 9.159 1.469 0.051 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.469 0.316 0.214 1.00 0.54 H new ATOM 0 HE21 GLN A 41 11.646 -0.215 -1.998 1.00 1.69 H new ATOM 0 HE22 GLN A 41 11.958 1.180 -3.036 1.00 1.69 H new ATOM 636 N VAL A 42 7.518 0.952 -3.404 1.00 0.43 N ATOM 637 CA VAL A 42 7.405 1.995 -4.420 1.00 0.43 C ATOM 638 C VAL A 42 5.963 2.483 -4.567 1.00 0.40 C ATOM 639 O VAL A 42 5.717 3.612 -4.985 1.00 0.41 O ATOM 640 CB VAL A 42 8.021 1.504 -5.740 1.00 0.48 C ATOM 641 CG1 VAL A 42 7.005 1.123 -6.825 1.00 0.49 C ATOM 642 CG2 VAL A 42 8.987 2.557 -6.286 1.00 0.62 C ATOM 0 H VAL A 42 7.878 0.061 -3.747 1.00 0.43 H new ATOM 0 HA VAL A 42 7.974 2.869 -4.103 1.00 0.43 H new ATOM 0 HB VAL A 42 8.545 0.581 -5.491 1.00 0.48 H new ATOM 0 HG11 VAL A 42 7.534 0.789 -7.718 1.00 0.49 H new ATOM 0 HG12 VAL A 42 6.367 0.319 -6.459 1.00 0.49 H new ATOM 0 HG13 VAL A 42 6.392 1.990 -7.070 1.00 0.49 H new ATOM 0 HG21 VAL A 42 9.420 2.203 -7.221 1.00 0.62 H new ATOM 0 HG22 VAL A 42 8.448 3.487 -6.465 1.00 0.62 H new ATOM 0 HG23 VAL A 42 9.782 2.732 -5.561 1.00 0.62 H new ATOM 652 N CYS A 43 4.997 1.628 -4.219 1.00 0.40 N ATOM 653 CA CYS A 43 3.608 2.036 -4.286 1.00 0.40 C ATOM 654 C CYS A 43 3.277 2.924 -3.104 1.00 0.35 C ATOM 655 O CYS A 43 2.536 3.875 -3.279 1.00 0.35 O ATOM 656 CB CYS A 43 2.686 0.836 -4.194 1.00 0.43 C ATOM 657 SG CYS A 43 2.574 0.039 -5.829 1.00 0.43 S ATOM 0 H CYS A 43 5.154 0.673 -3.896 1.00 0.40 H new ATOM 0 HA CYS A 43 3.467 2.556 -5.234 1.00 0.40 H new ATOM 0 HB2 CYS A 43 3.064 0.128 -3.456 1.00 0.43 H new ATOM 0 HB3 CYS A 43 1.696 1.148 -3.860 1.00 0.43 H new ATOM 662 N VAL A 44 3.741 2.614 -1.892 1.00 0.34 N ATOM 663 CA VAL A 44 3.415 3.420 -0.729 1.00 0.30 C ATOM 664 C VAL A 44 3.863 4.860 -0.977 1.00 0.28 C ATOM 665 O VAL A 44 3.226 5.796 -0.501 1.00 0.25 O ATOM 666 CB VAL A 44 4.039 2.762 0.517 1.00 0.34 C ATOM 667 CG1 VAL A 44 5.328 3.415 1.009 1.00 0.36 C ATOM 668 CG2 VAL A 44 3.018 2.727 1.649 1.00 0.37 C ATOM 0 H VAL A 44 4.341 1.812 -1.697 1.00 0.34 H new ATOM 0 HA VAL A 44 2.341 3.466 -0.549 1.00 0.30 H new ATOM 0 HB VAL A 44 4.318 1.755 0.207 1.00 0.34 H new ATOM 0 HG11 VAL A 44 5.692 2.884 1.888 1.00 0.36 H new ATOM 0 HG12 VAL A 44 6.081 3.373 0.222 1.00 0.36 H new ATOM 0 HG13 VAL A 44 5.133 4.455 1.269 1.00 0.36 H new ATOM 0 HG21 VAL A 44 3.464 2.261 2.527 1.00 0.37 H new ATOM 0 HG22 VAL A 44 2.712 3.744 1.894 1.00 0.37 H new ATOM 0 HG23 VAL A 44 2.147 2.151 1.336 1.00 0.37 H new ATOM 678 N ASP A 45 4.936 5.007 -1.755 1.00 0.31 N ATOM 679 CA ASP A 45 5.481 6.292 -2.188 1.00 0.34 C ATOM 680 C ASP A 45 4.533 6.962 -3.179 1.00 0.42 C ATOM 681 O ASP A 45 3.868 7.934 -2.829 1.00 0.46 O ATOM 682 CB ASP A 45 6.872 6.103 -2.810 1.00 0.41 C ATOM 683 CG ASP A 45 7.290 7.337 -3.614 1.00 0.66 C ATOM 684 OD1 ASP A 45 7.502 8.383 -2.968 1.00 1.43 O ATOM 685 OD2 ASP A 45 7.347 7.222 -4.861 1.00 2.20 O ATOM 0 H ASP A 45 5.465 4.211 -2.111 1.00 0.31 H new ATOM 0 HA ASP A 45 5.582 6.939 -1.317 1.00 0.34 H new ATOM 0 HB2 ASP A 45 7.602 5.913 -2.024 1.00 0.41 H new ATOM 0 HB3 ASP A 45 6.867 5.227 -3.459 1.00 0.41 H new ATOM 690 N GLN A 46 4.435 6.426 -4.401 1.00 0.54 N ATOM 691 CA GLN A 46 3.602 6.973 -5.470 1.00 0.74 C ATOM 692 C GLN A 46 2.172 7.241 -4.998 1.00 0.63 C ATOM 693 O GLN A 46 1.497 8.136 -5.500 1.00 0.81 O ATOM 694 CB GLN A 46 3.612 5.990 -6.644 1.00 1.02 C ATOM 695 CG GLN A 46 4.934 6.072 -7.416 1.00 1.37 C ATOM 696 CD GLN A 46 4.929 7.206 -8.440 1.00 1.56 C ATOM 697 OE1 GLN A 46 4.040 7.300 -9.278 1.00 1.57 O ATOM 698 NE2 GLN A 46 5.926 8.080 -8.411 1.00 2.98 N ATOM 0 H GLN A 46 4.943 5.585 -4.676 1.00 0.54 H new ATOM 0 HA GLN A 46 4.011 7.934 -5.782 1.00 0.74 H new ATOM 0 HB2 GLN A 46 3.464 4.975 -6.275 1.00 1.02 H new ATOM 0 HB3 GLN A 46 2.781 6.209 -7.314 1.00 1.02 H new ATOM 0 HG2 GLN A 46 5.755 6.221 -6.714 1.00 1.37 H new ATOM 0 HG3 GLN A 46 5.116 5.125 -7.924 1.00 1.37 H new ATOM 0 HE21 GLN A 46 6.661 7.992 -7.709 1.00 2.98 H new ATOM 0 HE22 GLN A 46 5.958 8.840 -9.091 1.00 2.98 H new ATOM 707 N TRP A 47 1.703 6.458 -4.034 1.00 0.41 N ATOM 708 CA TRP A 47 0.426 6.630 -3.396 1.00 0.36 C ATOM 709 C TRP A 47 0.405 7.920 -2.595 1.00 0.48 C ATOM 710 O TRP A 47 -0.397 8.796 -2.908 1.00 0.69 O ATOM 711 CB TRP A 47 0.123 5.390 -2.553 1.00 0.28 C ATOM 712 CG TRP A 47 -1.273 5.257 -2.068 1.00 0.28 C ATOM 713 CD1 TRP A 47 -1.634 4.899 -0.817 1.00 0.33 C ATOM 714 CD2 TRP A 47 -2.510 5.473 -2.809 1.00 0.31 C ATOM 715 NE1 TRP A 47 -3.006 4.927 -0.726 1.00 0.34 N ATOM 716 CE2 TRP A 47 -3.592 5.228 -1.926 1.00 0.32 C ATOM 717 CE3 TRP A 47 -2.840 5.899 -4.112 1.00 0.33 C ATOM 718 CZ2 TRP A 47 -4.926 5.390 -2.300 1.00 0.34 C ATOM 719 CZ3 TRP A 47 -4.175 6.152 -4.475 1.00 0.39 C ATOM 720 CH2 TRP A 47 -5.226 5.872 -3.582 1.00 0.40 C ATOM 0 H TRP A 47 2.227 5.662 -3.671 1.00 0.41 H new ATOM 0 HA TRP A 47 -0.366 6.725 -4.139 1.00 0.36 H new ATOM 0 HB2 TRP A 47 0.367 4.506 -3.142 1.00 0.28 H new ATOM 0 HB3 TRP A 47 0.788 5.391 -1.689 1.00 0.28 H new ATOM 0 HD1 TRP A 47 -0.956 4.634 -0.019 1.00 0.33 H new ATOM 0 HE1 TRP A 47 -3.525 4.745 0.133 1.00 0.34 H new ATOM 0 HE3 TRP A 47 -2.056 6.033 -4.842 1.00 0.33 H new ATOM 0 HZ2 TRP A 47 -5.720 5.147 -1.609 1.00 0.34 H new ATOM 0 HZ3 TRP A 47 -4.396 6.565 -5.448 1.00 0.39 H new ATOM 0 HH2 TRP A 47 -6.252 6.027 -3.881 1.00 0.40 H new ATOM 731 N LEU A 48 1.297 8.055 -1.609 1.00 0.45 N ATOM 732 CA LEU A 48 1.424 9.215 -0.732 1.00 0.53 C ATOM 733 C LEU A 48 1.547 10.547 -1.475 1.00 0.63 C ATOM 734 O LEU A 48 1.251 11.590 -0.897 1.00 0.80 O ATOM 735 CB LEU A 48 2.602 8.992 0.232 1.00 0.42 C ATOM 736 CG LEU A 48 2.126 8.624 1.645 1.00 0.60 C ATOM 737 CD1 LEU A 48 3.325 8.198 2.497 1.00 0.55 C ATOM 738 CD2 LEU A 48 1.421 9.789 2.349 1.00 0.88 C ATOM 0 H LEU A 48 1.977 7.326 -1.394 1.00 0.45 H new ATOM 0 HA LEU A 48 0.494 9.300 -0.169 1.00 0.53 H new ATOM 0 HB2 LEU A 48 3.241 8.198 -0.154 1.00 0.42 H new ATOM 0 HB3 LEU A 48 3.209 9.896 0.278 1.00 0.42 H new ATOM 0 HG LEU A 48 1.411 7.809 1.537 1.00 0.60 H new ATOM 0 HD11 LEU A 48 2.985 7.937 3.499 1.00 0.55 H new ATOM 0 HD12 LEU A 48 3.807 7.333 2.041 1.00 0.55 H new ATOM 0 HD13 LEU A 48 4.038 9.020 2.558 1.00 0.55 H new ATOM 0 HD21 LEU A 48 1.105 9.475 3.344 1.00 0.88 H new ATOM 0 HD22 LEU A 48 2.108 10.631 2.435 1.00 0.88 H new ATOM 0 HD23 LEU A 48 0.549 10.090 1.769 1.00 0.88 H new ATOM 750 N ILE A 49 1.962 10.544 -2.744 1.00 0.62 N ATOM 751 CA ILE A 49 1.962 11.734 -3.579 1.00 0.69 C ATOM 752 C ILE A 49 0.570 12.381 -3.638 1.00 0.58 C ATOM 753 O ILE A 49 0.464 13.606 -3.639 1.00 0.84 O ATOM 754 CB ILE A 49 2.478 11.345 -4.971 1.00 0.89 C ATOM 755 CG1 ILE A 49 3.871 10.712 -4.918 1.00 1.29 C ATOM 756 CG2 ILE A 49 2.451 12.521 -5.950 1.00 0.99 C ATOM 757 CD1 ILE A 49 4.886 11.567 -4.179 1.00 1.42 C ATOM 0 H ILE A 49 2.308 9.709 -3.218 1.00 0.62 H new ATOM 0 HA ILE A 49 2.622 12.488 -3.149 1.00 0.69 H new ATOM 0 HB ILE A 49 1.788 10.589 -5.346 1.00 0.89 H new ATOM 0 HG12 ILE A 49 3.803 9.738 -4.433 1.00 1.29 H new ATOM 0 HG13 ILE A 49 4.223 10.538 -5.935 1.00 1.29 H new ATOM 0 HG21 ILE A 49 2.825 12.195 -6.920 1.00 0.99 H new ATOM 0 HG22 ILE A 49 1.428 12.881 -6.058 1.00 0.99 H new ATOM 0 HG23 ILE A 49 3.080 13.326 -5.570 1.00 0.99 H new ATOM 0 HD11 ILE A 49 5.853 11.063 -4.176 1.00 1.42 H new ATOM 0 HD12 ILE A 49 4.981 12.532 -4.677 1.00 1.42 H new ATOM 0 HD13 ILE A 49 4.554 11.720 -3.152 1.00 1.42 H new ATOM 769 N THR A 50 -0.493 11.578 -3.724 1.00 0.57 N ATOM 770 CA THR A 50 -1.850 12.039 -3.951 1.00 0.82 C ATOM 771 C THR A 50 -2.754 11.582 -2.800 1.00 0.49 C ATOM 772 O THR A 50 -3.489 12.390 -2.233 1.00 0.55 O ATOM 773 CB THR A 50 -2.267 11.572 -5.355 1.00 1.30 C ATOM 774 OG1 THR A 50 -2.240 12.671 -6.238 1.00 3.23 O ATOM 775 CG2 THR A 50 -3.649 10.937 -5.400 1.00 2.23 C ATOM 0 H THR A 50 -0.424 10.564 -3.634 1.00 0.57 H new ATOM 0 HA THR A 50 -1.938 13.125 -3.944 1.00 0.82 H new ATOM 0 HB THR A 50 -1.554 10.803 -5.652 1.00 1.30 H new ATOM 0 HG1 THR A 50 -2.504 12.377 -7.135 1.00 3.23 H new ATOM 0 HG21 THR A 50 -3.876 10.632 -6.421 1.00 2.23 H new ATOM 0 HG22 THR A 50 -3.670 10.064 -4.747 1.00 2.23 H new ATOM 0 HG23 THR A 50 -4.393 11.659 -5.063 1.00 2.23 H new ATOM 783 N ASN A 51 -2.747 10.294 -2.446 1.00 0.45 N ATOM 784 CA ASN A 51 -3.527 9.820 -1.316 1.00 0.45 C ATOM 785 C ASN A 51 -3.102 10.512 -0.026 1.00 0.74 C ATOM 786 O ASN A 51 -1.923 10.750 0.216 1.00 1.93 O ATOM 787 CB ASN A 51 -3.408 8.296 -1.169 1.00 1.34 C ATOM 788 CG ASN A 51 -2.451 7.849 -0.058 1.00 3.90 C ATOM 789 OD1 ASN A 51 -1.246 7.813 -0.211 1.00 5.46 O ATOM 790 ND2 ASN A 51 -2.961 7.458 1.098 1.00 4.89 N ATOM 0 H ASN A 51 -2.212 9.571 -2.926 1.00 0.45 H new ATOM 0 HA ASN A 51 -4.571 10.068 -1.508 1.00 0.45 H new ATOM 0 HB2 ASN A 51 -4.397 7.882 -0.971 1.00 1.34 H new ATOM 0 HB3 ASN A 51 -3.070 7.875 -2.116 1.00 1.34 H new ATOM 0 HD21 ASN A 51 -2.345 7.133 1.843 1.00 4.89 H new ATOM 0 HD22 ASN A 51 -3.970 7.481 1.244 1.00 4.89 H new ATOM 797 N LYS A 52 -4.072 10.727 0.859 1.00 0.83 N ATOM 798 CA LYS A 52 -3.793 11.097 2.240 1.00 1.19 C ATOM 799 C LYS A 52 -4.523 10.184 3.221 1.00 1.08 C ATOM 800 O LYS A 52 -4.371 10.340 4.429 1.00 0.99 O ATOM 801 CB LYS A 52 -4.147 12.569 2.476 1.00 1.73 C ATOM 802 CG LYS A 52 -3.425 13.486 1.478 1.00 2.49 C ATOM 803 CD LYS A 52 -3.354 14.920 2.006 1.00 2.76 C ATOM 804 CE LYS A 52 -2.288 14.991 3.107 1.00 2.78 C ATOM 805 NZ LYS A 52 -2.796 15.550 4.375 1.00 4.04 N ATOM 0 H LYS A 52 -5.065 10.650 0.640 1.00 0.83 H new ATOM 0 HA LYS A 52 -2.726 10.969 2.419 1.00 1.19 H new ATOM 0 HB2 LYS A 52 -5.225 12.705 2.384 1.00 1.73 H new ATOM 0 HB3 LYS A 52 -3.876 12.851 3.493 1.00 1.73 H new ATOM 0 HG2 LYS A 52 -2.418 13.111 1.297 1.00 2.49 H new ATOM 0 HG3 LYS A 52 -3.948 13.472 0.522 1.00 2.49 H new ATOM 0 HD2 LYS A 52 -3.107 15.608 1.197 1.00 2.76 H new ATOM 0 HD3 LYS A 52 -4.324 15.225 2.400 1.00 2.76 H new ATOM 0 HE2 LYS A 52 -1.897 13.990 3.290 1.00 2.78 H new ATOM 0 HE3 LYS A 52 -1.454 15.600 2.757 1.00 2.78 H new ATOM 0 HZ1 LYS A 52 -2.003 15.932 4.928 1.00 4.04 H new ATOM 0 HZ2 LYS A 52 -3.475 16.311 4.172 1.00 4.04 H new ATOM 0 HZ3 LYS A 52 -3.269 14.801 4.920 1.00 4.04 H new ATOM 819 N LYS A 53 -5.316 9.223 2.734 1.00 1.08 N ATOM 820 CA LYS A 53 -6.100 8.337 3.574 1.00 0.96 C ATOM 821 C LYS A 53 -5.950 6.945 3.025 1.00 1.00 C ATOM 822 O LYS A 53 -5.636 6.771 1.848 1.00 1.21 O ATOM 823 CB LYS A 53 -7.574 8.745 3.613 1.00 1.01 C ATOM 824 CG LYS A 53 -7.752 10.124 4.261 1.00 1.10 C ATOM 825 CD LYS A 53 -9.126 10.733 3.999 1.00 1.56 C ATOM 826 CE LYS A 53 -9.225 11.012 2.500 1.00 1.71 C ATOM 827 NZ LYS A 53 -10.288 11.990 2.186 1.00 2.55 N ATOM 0 H LYS A 53 -5.426 9.044 1.736 1.00 1.08 H new ATOM 0 HA LYS A 53 -5.738 8.391 4.601 1.00 0.96 H new ATOM 0 HB2 LYS A 53 -7.976 8.762 2.600 1.00 1.01 H new ATOM 0 HB3 LYS A 53 -8.145 8.002 4.170 1.00 1.01 H new ATOM 0 HG2 LYS A 53 -7.599 10.036 5.337 1.00 1.10 H new ATOM 0 HG3 LYS A 53 -6.984 10.799 3.883 1.00 1.10 H new ATOM 0 HD2 LYS A 53 -9.915 10.050 4.315 1.00 1.56 H new ATOM 0 HD3 LYS A 53 -9.253 11.653 4.570 1.00 1.56 H new ATOM 0 HE2 LYS A 53 -8.268 11.388 2.138 1.00 1.71 H new ATOM 0 HE3 LYS A 53 -9.422 10.080 1.970 1.00 1.71 H new ATOM 0 HZ1 LYS A 53 -10.320 12.150 1.159 1.00 2.55 H new ATOM 0 HZ2 LYS A 53 -11.205 11.621 2.508 1.00 2.55 H new ATOM 0 HZ3 LYS A 53 -10.087 12.888 2.670 1.00 2.55 H new ATOM 841 N CYS A 54 -6.114 5.970 3.901 1.00 0.77 N ATOM 842 CA CYS A 54 -5.680 4.619 3.607 1.00 0.56 C ATOM 843 C CYS A 54 -6.576 4.112 2.473 1.00 0.44 C ATOM 844 O CYS A 54 -7.778 4.374 2.507 1.00 0.50 O ATOM 845 CB CYS A 54 -5.858 3.788 4.876 1.00 0.49 C ATOM 846 SG CYS A 54 -5.084 2.164 4.691 1.00 0.63 S ATOM 0 H CYS A 54 -6.543 6.089 4.819 1.00 0.77 H new ATOM 0 HA CYS A 54 -4.636 4.559 3.301 1.00 0.56 H new ATOM 0 HB2 CYS A 54 -5.417 4.312 5.724 1.00 0.49 H new ATOM 0 HB3 CYS A 54 -6.920 3.668 5.092 1.00 0.49 H new ATOM 851 N PRO A 55 -6.050 3.375 1.486 1.00 0.37 N ATOM 852 CA PRO A 55 -6.853 2.900 0.377 1.00 0.34 C ATOM 853 C PRO A 55 -7.851 1.848 0.865 1.00 0.37 C ATOM 854 O PRO A 55 -8.865 1.626 0.211 1.00 0.55 O ATOM 855 CB PRO A 55 -5.852 2.329 -0.627 1.00 0.32 C ATOM 856 CG PRO A 55 -4.703 1.857 0.243 1.00 0.45 C ATOM 857 CD PRO A 55 -4.715 2.808 1.428 1.00 0.38 C ATOM 0 HA PRO A 55 -7.451 3.688 -0.082 1.00 0.34 H new ATOM 0 HB2 PRO A 55 -6.283 1.509 -1.201 1.00 0.32 H new ATOM 0 HB3 PRO A 55 -5.528 3.084 -1.344 1.00 0.32 H new ATOM 0 HG2 PRO A 55 -4.843 0.824 0.561 1.00 0.45 H new ATOM 0 HG3 PRO A 55 -3.755 1.900 -0.292 1.00 0.45 H new ATOM 0 HD2 PRO A 55 -4.477 2.280 2.352 1.00 0.38 H new ATOM 0 HD3 PRO A 55 -3.966 3.590 1.306 1.00 0.38 H new ATOM 865 N ILE A 56 -7.568 1.200 2.002 1.00 0.37 N ATOM 866 CA ILE A 56 -8.434 0.189 2.578 1.00 0.42 C ATOM 867 C ILE A 56 -9.091 0.745 3.842 1.00 0.55 C ATOM 868 O ILE A 56 -10.312 0.715 3.934 1.00 0.80 O ATOM 869 CB ILE A 56 -7.669 -1.107 2.824 1.00 0.42 C ATOM 870 CG1 ILE A 56 -7.130 -1.654 1.493 1.00 0.59 C ATOM 871 CG2 ILE A 56 -8.631 -2.132 3.439 1.00 0.49 C ATOM 872 CD1 ILE A 56 -5.972 -2.599 1.771 1.00 0.92 C ATOM 0 H ILE A 56 -6.722 1.371 2.545 1.00 0.37 H new ATOM 0 HA ILE A 56 -9.229 -0.061 1.876 1.00 0.42 H new ATOM 0 HB ILE A 56 -6.833 -0.920 3.498 1.00 0.42 H new ATOM 0 HG12 ILE A 56 -7.920 -2.177 0.955 1.00 0.59 H new ATOM 0 HG13 ILE A 56 -6.800 -0.833 0.856 1.00 0.59 H new ATOM 0 HG21 ILE A 56 -8.099 -3.066 3.622 1.00 0.49 H new ATOM 0 HG22 ILE A 56 -9.020 -1.746 4.381 1.00 0.49 H new ATOM 0 HG23 ILE A 56 -9.457 -2.313 2.752 1.00 0.49 H new ATOM 0 HD11 ILE A 56 -5.587 -2.989 0.829 1.00 0.92 H new ATOM 0 HD12 ILE A 56 -5.180 -2.061 2.292 1.00 0.92 H new ATOM 0 HD13 ILE A 56 -6.318 -3.425 2.392 1.00 0.92 H new ATOM 884 N CYS A 57 -8.317 1.248 4.824 1.00 0.57 N ATOM 885 CA CYS A 57 -8.939 1.724 6.060 1.00 0.68 C ATOM 886 C CYS A 57 -9.887 2.904 5.738 1.00 0.42 C ATOM 887 O CYS A 57 -10.854 3.124 6.458 1.00 0.52 O ATOM 888 CB CYS A 57 -7.956 2.240 7.144 1.00 1.13 C ATOM 889 SG CYS A 57 -6.375 1.471 7.601 1.00 0.97 S ATOM 0 H CYS A 57 -7.301 1.331 4.785 1.00 0.57 H new ATOM 0 HA CYS A 57 -9.447 0.848 6.463 1.00 0.68 H new ATOM 0 HB2 CYS A 57 -7.714 3.264 6.859 1.00 1.13 H new ATOM 0 HB3 CYS A 57 -8.535 2.294 8.066 1.00 1.13 H new ATOM 894 N ARG A 58 -9.576 3.706 4.704 1.00 0.42 N ATOM 895 CA ARG A 58 -10.305 4.914 4.307 1.00 0.55 C ATOM 896 C ARG A 58 -10.175 6.037 5.344 1.00 0.61 C ATOM 897 O ARG A 58 -11.004 6.941 5.377 1.00 0.80 O ATOM 898 CB ARG A 58 -11.767 4.534 3.985 1.00 0.66 C ATOM 899 CG ARG A 58 -12.374 5.270 2.783 1.00 0.91 C ATOM 900 CD ARG A 58 -12.477 6.782 2.998 1.00 1.83 C ATOM 901 NE ARG A 58 -13.349 7.424 2.000 1.00 2.37 N ATOM 902 CZ ARG A 58 -13.053 7.665 0.716 1.00 2.36 C ATOM 903 NH1 ARG A 58 -11.858 7.331 0.227 1.00 2.90 N ATOM 904 NH2 ARG A 58 -13.955 8.245 -0.077 1.00 2.82 N ATOM 0 H ARG A 58 -8.776 3.518 4.100 1.00 0.42 H new ATOM 0 HA ARG A 58 -9.859 5.328 3.403 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -11.816 3.461 3.799 1.00 0.66 H new ATOM 0 HB3 ARG A 58 -12.381 4.733 4.863 1.00 0.66 H new ATOM 0 HG2 ARG A 58 -11.766 5.075 1.900 1.00 0.91 H new ATOM 0 HG3 ARG A 58 -13.367 4.869 2.582 1.00 0.91 H new ATOM 0 HD2 ARG A 58 -12.863 6.980 3.998 1.00 1.83 H new ATOM 0 HD3 ARG A 58 -11.482 7.224 2.947 1.00 1.83 H new ATOM 0 HE ARG A 58 -14.273 7.715 2.319 1.00 2.37 H new ATOM 0 HH11 ARG A 58 -11.165 6.890 0.831 1.00 2.90 H new ATOM 0 HH12 ARG A 58 -11.637 7.517 -0.751 1.00 2.90 H new ATOM 0 HH21 ARG A 58 -14.869 8.504 0.294 1.00 2.82 H new ATOM 0 HH22 ARG A 58 -13.731 8.429 -1.055 1.00 2.82 H new ATOM 918 N VAL A 59 -9.099 6.057 6.132 1.00 0.50 N ATOM 919 CA VAL A 59 -8.845 7.095 7.124 1.00 0.52 C ATOM 920 C VAL A 59 -7.401 7.522 7.052 1.00 0.49 C ATOM 921 O VAL A 59 -6.565 6.768 6.565 1.00 0.49 O ATOM 922 CB VAL A 59 -9.150 6.605 8.540 1.00 0.59 C ATOM 923 CG1 VAL A 59 -10.459 5.833 8.554 1.00 0.67 C ATOM 924 CG2 VAL A 59 -8.042 5.745 9.157 1.00 0.63 C ATOM 0 H VAL A 59 -8.372 5.342 6.096 1.00 0.50 H new ATOM 0 HA VAL A 59 -9.501 7.936 6.902 1.00 0.52 H new ATOM 0 HB VAL A 59 -9.223 7.502 9.156 1.00 0.59 H new ATOM 0 HG11 VAL A 59 -10.667 5.488 9.567 1.00 0.67 H new ATOM 0 HG12 VAL A 59 -11.268 6.482 8.218 1.00 0.67 H new ATOM 0 HG13 VAL A 59 -10.382 4.974 7.887 1.00 0.67 H new ATOM 0 HG21 VAL A 59 -8.336 5.438 10.161 1.00 0.63 H new ATOM 0 HG22 VAL A 59 -7.881 4.861 8.540 1.00 0.63 H new ATOM 0 HG23 VAL A 59 -7.120 6.323 9.210 1.00 0.63 H new ATOM 934 N ASP A 60 -7.087 8.713 7.537 1.00 0.50 N ATOM 935 CA ASP A 60 -5.754 9.242 7.398 1.00 0.43 C ATOM 936 C ASP A 60 -4.804 8.324 8.137 1.00 0.44 C ATOM 937 O ASP A 60 -5.025 8.006 9.302 1.00 0.66 O ATOM 938 CB ASP A 60 -5.662 10.666 7.948 1.00 0.55 C ATOM 939 CG ASP A 60 -6.705 11.605 7.330 1.00 0.66 C ATOM 940 OD1 ASP A 60 -7.904 11.387 7.621 1.00 1.82 O ATOM 941 OD2 ASP A 60 -6.309 12.485 6.532 1.00 1.54 O ATOM 0 H ASP A 60 -7.740 9.324 8.028 1.00 0.50 H new ATOM 0 HA ASP A 60 -5.489 9.289 6.342 1.00 0.43 H new ATOM 0 HB2 ASP A 60 -5.795 10.643 9.030 1.00 0.55 H new ATOM 0 HB3 ASP A 60 -4.664 11.061 7.758 1.00 0.55 H new ATOM 946 N ILE A 61 -3.761 7.883 7.433 1.00 0.57 N ATOM 947 CA ILE A 61 -2.790 6.929 7.921 1.00 0.92 C ATOM 948 C ILE A 61 -2.302 7.315 9.318 1.00 1.02 C ATOM 949 O ILE A 61 -2.124 6.444 10.163 1.00 1.34 O ATOM 950 CB ILE A 61 -1.658 6.794 6.894 1.00 1.12 C ATOM 951 CG1 ILE A 61 -2.230 6.508 5.494 1.00 1.30 C ATOM 952 CG2 ILE A 61 -0.745 5.635 7.276 1.00 1.58 C ATOM 953 CD1 ILE A 61 -2.252 7.759 4.616 1.00 1.28 C ATOM 0 H ILE A 61 -3.571 8.195 6.480 1.00 0.57 H new ATOM 0 HA ILE A 61 -3.249 5.947 8.032 1.00 0.92 H new ATOM 0 HB ILE A 61 -1.101 7.731 6.883 1.00 1.12 H new ATOM 0 HG12 ILE A 61 -1.632 5.736 5.009 1.00 1.30 H new ATOM 0 HG13 ILE A 61 -3.242 6.115 5.590 1.00 1.30 H new ATOM 0 HG21 ILE A 61 0.056 5.546 6.542 1.00 1.58 H new ATOM 0 HG22 ILE A 61 -0.316 5.819 8.261 1.00 1.58 H new ATOM 0 HG23 ILE A 61 -1.321 4.710 7.299 1.00 1.58 H new ATOM 0 HD11 ILE A 61 -2.663 7.510 3.638 1.00 1.28 H new ATOM 0 HD12 ILE A 61 -2.871 8.523 5.086 1.00 1.28 H new ATOM 0 HD13 ILE A 61 -1.237 8.138 4.497 1.00 1.28 H new ATOM 965 N GLU A 62 -2.095 8.615 9.534 1.00 0.88 N ATOM 966 CA GLU A 62 -1.826 9.245 10.813 1.00 1.09 C ATOM 967 C GLU A 62 -1.628 10.744 10.562 1.00 1.44 C ATOM 968 O GLU A 62 -1.935 11.236 9.474 1.00 3.01 O ATOM 969 CB GLU A 62 -0.615 8.611 11.534 1.00 2.48 C ATOM 970 CG GLU A 62 -1.076 8.050 12.882 1.00 3.42 C ATOM 971 CD GLU A 62 0.058 8.046 13.905 1.00 4.24 C ATOM 972 OE1 GLU A 62 0.952 7.180 13.785 1.00 5.42 O ATOM 973 OE2 GLU A 62 0.020 8.939 14.781 1.00 4.29 O ATOM 0 H GLU A 62 -2.113 9.291 8.770 1.00 0.88 H new ATOM 0 HA GLU A 62 -2.670 9.090 11.485 1.00 1.09 H new ATOM 0 HB2 GLU A 62 -0.186 7.817 10.923 1.00 2.48 H new ATOM 0 HB3 GLU A 62 0.167 9.356 11.684 1.00 2.48 H new ATOM 0 HG2 GLU A 62 -1.906 8.646 13.260 1.00 3.42 H new ATOM 0 HG3 GLU A 62 -1.448 7.035 12.746 1.00 3.42 H new ATOM 980 N ALA A 63 -1.114 11.475 11.554 1.00 1.85 N ATOM 981 CA ALA A 63 -0.654 12.840 11.361 1.00 2.94 C ATOM 982 C ALA A 63 0.441 12.886 10.289 1.00 2.84 C ATOM 983 O ALA A 63 1.240 11.962 10.153 1.00 2.83 O ATOM 984 CB ALA A 63 -0.130 13.398 12.686 1.00 4.17 C ATOM 0 H ALA A 63 -1.008 11.133 12.509 1.00 1.85 H new ATOM 0 HA ALA A 63 -1.489 13.454 11.023 1.00 2.94 H new ATOM 0 HB1 ALA A 63 0.214 14.422 12.539 1.00 4.17 H new ATOM 0 HB2 ALA A 63 -0.929 13.387 13.427 1.00 4.17 H new ATOM 0 HB3 ALA A 63 0.699 12.783 13.037 1.00 4.17 H new ATOM 990 N GLN A 64 0.487 13.984 9.534 1.00 3.89 N ATOM 991 CA GLN A 64 1.469 14.184 8.482 1.00 4.41 C ATOM 992 C GLN A 64 2.725 14.817 9.087 1.00 3.85 C ATOM 993 O GLN A 64 2.629 15.555 10.066 1.00 4.51 O ATOM 994 CB GLN A 64 0.841 15.100 7.427 1.00 6.35 C ATOM 995 CG GLN A 64 1.598 15.089 6.098 1.00 7.55 C ATOM 996 CD GLN A 64 1.044 16.183 5.196 1.00 9.28 C ATOM 997 OE1 GLN A 64 -0.081 16.091 4.707 1.00 10.22 O ATOM 998 NE2 GLN A 64 1.799 17.256 5.009 1.00 10.09 N ATOM 0 H GLN A 64 -0.164 14.762 9.641 1.00 3.89 H new ATOM 0 HA GLN A 64 1.756 13.241 8.017 1.00 4.41 H new ATOM 0 HB2 GLN A 64 -0.190 14.792 7.254 1.00 6.35 H new ATOM 0 HB3 GLN A 64 0.809 16.119 7.812 1.00 6.35 H new ATOM 0 HG2 GLN A 64 2.662 15.248 6.271 1.00 7.55 H new ATOM 0 HG3 GLN A 64 1.495 14.117 5.616 1.00 7.55 H new ATOM 0 HE21 GLN A 64 2.728 17.305 5.427 1.00 10.09 H new ATOM 0 HE22 GLN A 64 1.451 18.033 4.447 1.00 10.09 H new ATOM 1007 N LEU A 65 3.898 14.558 8.504 1.00 3.65 N ATOM 1008 CA LEU A 65 5.126 15.197 8.950 1.00 3.94 C ATOM 1009 C LEU A 65 5.123 16.661 8.491 1.00 4.54 C ATOM 1010 O LEU A 65 4.423 17.008 7.533 1.00 4.99 O ATOM 1011 CB LEU A 65 6.347 14.437 8.402 1.00 4.60 C ATOM 1012 CG LEU A 65 6.490 13.028 9.009 1.00 5.50 C ATOM 1013 CD1 LEU A 65 5.725 11.967 8.210 1.00 6.40 C ATOM 1014 CD2 LEU A 65 7.966 12.626 9.060 1.00 7.01 C ATOM 0 H LEU A 65 4.017 13.911 7.724 1.00 3.65 H new ATOM 0 HA LEU A 65 5.186 15.173 10.038 1.00 3.94 H new ATOM 0 HB2 LEU A 65 6.263 14.355 7.318 1.00 4.60 H new ATOM 0 HB3 LEU A 65 7.250 15.011 8.609 1.00 4.60 H new ATOM 0 HG LEU A 65 6.066 13.074 10.012 1.00 5.50 H new ATOM 0 HD11 LEU A 65 5.858 10.992 8.679 1.00 6.40 H new ATOM 0 HD12 LEU A 65 4.665 12.219 8.192 1.00 6.40 H new ATOM 0 HD13 LEU A 65 6.107 11.934 7.190 1.00 6.40 H new ATOM 0 HD21 LEU A 65 8.057 11.629 9.491 1.00 7.01 H new ATOM 0 HD22 LEU A 65 8.378 12.624 8.051 1.00 7.01 H new ATOM 0 HD23 LEU A 65 8.516 13.338 9.675 1.00 7.01 H new ATOM 1026 N PRO A 66 5.892 17.541 9.157 1.00 5.61 N ATOM 1027 CA PRO A 66 6.015 18.947 8.799 1.00 6.90 C ATOM 1028 C PRO A 66 6.940 19.111 7.598 1.00 6.67 C ATOM 1029 O PRO A 66 8.040 19.644 7.717 1.00 7.10 O ATOM 1030 CB PRO A 66 6.555 19.626 10.063 1.00 8.50 C ATOM 1031 CG PRO A 66 7.437 18.537 10.671 1.00 8.14 C ATOM 1032 CD PRO A 66 6.647 17.262 10.371 1.00 6.48 C ATOM 0 HA PRO A 66 5.070 19.396 8.493 1.00 6.90 H new ATOM 0 HB2 PRO A 66 7.124 20.526 9.829 1.00 8.50 H new ATOM 0 HB3 PRO A 66 5.753 19.923 10.739 1.00 8.50 H new ATOM 0 HG2 PRO A 66 8.427 18.517 10.216 1.00 8.14 H new ATOM 0 HG3 PRO A 66 7.581 18.682 11.742 1.00 8.14 H new ATOM 0 HD2 PRO A 66 7.315 16.412 10.230 1.00 6.48 H new ATOM 0 HD3 PRO A 66 5.981 17.011 11.197 1.00 6.48 H new ATOM 1040 N SER A 67 6.441 18.702 6.429 1.00 6.58 N ATOM 1041 CA SER A 67 7.112 18.787 5.147 1.00 6.74 C ATOM 1042 C SER A 67 8.137 17.662 5.012 1.00 6.38 C ATOM 1043 O SER A 67 8.744 17.225 5.987 1.00 6.51 O ATOM 1044 CB SER A 67 7.714 20.181 4.964 1.00 7.92 C ATOM 1045 OG SER A 67 7.923 20.450 3.591 1.00 8.61 O ATOM 0 H SER A 67 5.513 18.284 6.357 1.00 6.58 H new ATOM 0 HA SER A 67 6.394 18.648 4.339 1.00 6.74 H new ATOM 0 HB2 SER A 67 7.048 20.931 5.391 1.00 7.92 H new ATOM 0 HB3 SER A 67 8.659 20.250 5.503 1.00 7.92 H new ATOM 0 HG SER A 67 8.307 21.346 3.488 1.00 8.61 H new ATOM 1051 N GLU A 68 8.313 17.177 3.786 1.00 6.51 N ATOM 1052 CA GLU A 68 9.212 16.072 3.490 1.00 6.61 C ATOM 1053 C GLU A 68 9.657 16.198 2.035 1.00 6.88 C ATOM 1054 O GLU A 68 10.827 16.482 1.789 1.00 7.25 O ATOM 1055 CB GLU A 68 8.559 14.726 3.861 1.00 7.15 C ATOM 1056 CG GLU A 68 7.153 14.473 3.289 1.00 7.98 C ATOM 1057 CD GLU A 68 6.358 13.508 4.178 1.00 9.10 C ATOM 1058 OE1 GLU A 68 6.662 12.297 4.141 1.00 9.47 O ATOM 1059 OE2 GLU A 68 5.456 13.998 4.899 1.00 10.01 O ATOM 0 H GLU A 68 7.831 17.544 2.966 1.00 6.51 H new ATOM 0 HA GLU A 68 10.113 16.110 4.102 1.00 6.61 H new ATOM 0 HB2 GLU A 68 9.215 13.923 3.526 1.00 7.15 H new ATOM 0 HB3 GLU A 68 8.504 14.660 4.948 1.00 7.15 H new ATOM 0 HG2 GLU A 68 6.617 15.418 3.203 1.00 7.98 H new ATOM 0 HG3 GLU A 68 7.235 14.061 2.283 1.00 7.98 H new ATOM 1066 N SER A 69 8.710 16.120 1.091 1.00 7.34 N ATOM 1067 CA SER A 69 8.991 16.141 -0.342 1.00 7.88 C ATOM 1068 C SER A 69 9.852 14.945 -0.749 1.00 7.99 C ATOM 1069 O SER A 69 9.865 13.956 0.014 1.00 8.12 O ATOM 1070 CB SER A 69 9.609 17.487 -0.757 1.00 8.19 C ATOM 1071 OG SER A 69 8.641 18.277 -1.420 1.00 8.96 O ATOM 1072 OXT SER A 69 10.419 15.022 -1.861 1.00 8.36 O ATOM 0 H SER A 69 7.717 16.040 1.308 1.00 7.34 H new ATOM 0 HA SER A 69 8.050 16.046 -0.884 1.00 7.88 H new ATOM 0 HB2 SER A 69 9.980 18.013 0.122 1.00 8.19 H new ATOM 0 HB3 SER A 69 10.464 17.318 -1.412 1.00 8.19 H new ATOM 0 HG SER A 69 9.040 19.133 -1.680 1.00 8.96 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 70 1.859 -1.940 -5.971 1.00 0.52 ZN HETATM 1080 ZN ZN A 71 -4.718 1.076 6.396 1.00 0.53 ZN