USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.185 (180deg=-0.12) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 9 THR OG1 : rot 23:sc= 0.141 USER MOD Single : A 13 THR OG1 : rot -42:sc= 0.618 USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000934) USER MOD Single : A 18 THR OG1 : rot 137:sc= 1.4 USER MOD Single : A 22 SER OG : rot -77:sc= 0.555 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.323 X(o=0.32,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.2 K(o=-2.2,f=-3.2!) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.69 (180deg=1.36) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 67 SER OG : rot -58:sc= 0.399 USER MOD Single : A 69 SER OG : rot 5:sc= 0.288 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.292 -38.552 -4.700 1.00 16.30 N ATOM 2 CA MET A 1 24.175 -37.620 -4.456 1.00 15.69 C ATOM 3 C MET A 1 24.220 -36.536 -5.518 1.00 15.68 C ATOM 4 O MET A 1 25.259 -36.364 -6.146 1.00 16.42 O ATOM 5 CB MET A 1 24.255 -36.997 -3.057 1.00 15.22 C ATOM 6 CG MET A 1 23.883 -38.021 -1.984 1.00 15.46 C ATOM 7 SD MET A 1 24.125 -37.450 -0.283 1.00 15.08 S ATOM 8 CE MET A 1 22.951 -36.070 -0.215 1.00 15.51 C ATOM 0 H1 MET A 1 24.915 -39.487 -4.953 1.00 16.30 H new ATOM 0 H2 MET A 1 25.880 -38.193 -5.480 1.00 16.30 H new ATOM 0 H3 MET A 1 25.871 -38.633 -3.840 1.00 16.30 H new ATOM 0 HA MET A 1 23.234 -38.168 -4.509 1.00 15.69 H new ATOM 0 HB2 MET A 1 25.264 -36.625 -2.877 1.00 15.22 H new ATOM 0 HB3 MET A 1 23.584 -36.140 -2.997 1.00 15.22 H new ATOM 0 HG2 MET A 1 22.838 -38.301 -2.114 1.00 15.46 H new ATOM 0 HG3 MET A 1 24.476 -38.922 -2.139 1.00 15.46 H new ATOM 0 HE1 MET A 1 22.865 -35.716 0.812 1.00 15.51 H new ATOM 0 HE2 MET A 1 23.306 -35.258 -0.850 1.00 15.51 H new ATOM 0 HE3 MET A 1 21.975 -36.405 -0.567 1.00 15.51 H new ATOM 20 N LYS A 2 23.107 -35.833 -5.735 1.00 15.07 N ATOM 21 CA LYS A 2 23.005 -34.710 -6.658 1.00 15.18 C ATOM 22 C LYS A 2 21.780 -33.901 -6.246 1.00 14.26 C ATOM 23 O LYS A 2 20.919 -34.437 -5.549 1.00 14.08 O ATOM 24 CB LYS A 2 22.878 -35.216 -8.104 1.00 16.31 C ATOM 25 CG LYS A 2 21.592 -36.023 -8.332 1.00 16.79 C ATOM 26 CD LYS A 2 21.711 -36.897 -9.583 1.00 18.03 C ATOM 27 CE LYS A 2 20.415 -37.696 -9.756 1.00 18.82 C ATOM 28 NZ LYS A 2 20.535 -38.722 -10.814 1.00 19.86 N ATOM 0 H LYS A 2 22.229 -36.038 -5.258 1.00 15.07 H new ATOM 0 HA LYS A 2 23.898 -34.087 -6.617 1.00 15.18 H new ATOM 0 HB2 LYS A 2 22.896 -34.366 -8.786 1.00 16.31 H new ATOM 0 HB3 LYS A 2 23.741 -35.837 -8.346 1.00 16.31 H new ATOM 0 HG2 LYS A 2 21.392 -36.650 -7.463 1.00 16.79 H new ATOM 0 HG3 LYS A 2 20.746 -35.344 -8.437 1.00 16.79 H new ATOM 0 HD2 LYS A 2 21.891 -36.276 -10.461 1.00 18.03 H new ATOM 0 HD3 LYS A 2 22.561 -37.573 -9.491 1.00 18.03 H new ATOM 0 HE2 LYS A 2 20.156 -38.177 -8.812 1.00 18.82 H new ATOM 0 HE3 LYS A 2 19.599 -37.016 -10.001 1.00 18.82 H new ATOM 0 HZ1 LYS A 2 19.637 -39.240 -10.899 1.00 19.86 H new ATOM 0 HZ2 LYS A 2 20.756 -38.262 -11.720 1.00 19.86 H new ATOM 0 HZ3 LYS A 2 21.296 -39.387 -10.568 1.00 19.86 H new ATOM 42 N GLN A 3 21.689 -32.644 -6.666 1.00 13.91 N ATOM 43 CA GLN A 3 20.548 -31.793 -6.375 1.00 13.13 C ATOM 44 C GLN A 3 20.470 -30.747 -7.478 1.00 13.12 C ATOM 45 O GLN A 3 21.394 -30.631 -8.281 1.00 13.89 O ATOM 46 CB GLN A 3 20.716 -31.179 -4.973 1.00 12.72 C ATOM 47 CG GLN A 3 19.380 -30.753 -4.348 1.00 12.43 C ATOM 48 CD GLN A 3 19.498 -30.639 -2.830 1.00 12.38 C ATOM 49 OE1 GLN A 3 19.671 -31.634 -2.138 1.00 12.77 O ATOM 50 NE2 GLN A 3 19.408 -29.437 -2.277 1.00 12.28 N ATOM 0 H GLN A 3 22.412 -32.186 -7.222 1.00 13.91 H new ATOM 0 HA GLN A 3 19.611 -32.349 -6.359 1.00 13.13 H new ATOM 0 HB2 GLN A 3 21.203 -31.903 -4.320 1.00 12.72 H new ATOM 0 HB3 GLN A 3 21.375 -30.313 -5.037 1.00 12.72 H new ATOM 0 HG2 GLN A 3 19.068 -29.795 -4.765 1.00 12.43 H new ATOM 0 HG3 GLN A 3 18.607 -31.478 -4.603 1.00 12.43 H new ATOM 0 HE21 GLN A 3 19.264 -28.615 -2.864 1.00 12.28 H new ATOM 0 HE22 GLN A 3 19.483 -29.334 -1.265 1.00 12.28 H new ATOM 59 N ASP A 4 19.364 -30.013 -7.518 1.00 12.47 N ATOM 60 CA ASP A 4 19.104 -28.990 -8.512 1.00 12.51 C ATOM 61 C ASP A 4 18.606 -27.772 -7.740 1.00 11.57 C ATOM 62 O ASP A 4 19.401 -27.110 -7.076 1.00 11.41 O ATOM 63 CB ASP A 4 18.128 -29.546 -9.556 1.00 13.10 C ATOM 64 CG ASP A 4 17.784 -28.500 -10.608 1.00 13.72 C ATOM 65 OD1 ASP A 4 16.697 -27.903 -10.463 1.00 13.96 O ATOM 66 OD2 ASP A 4 18.613 -28.310 -11.521 1.00 14.22 O ATOM 0 H ASP A 4 18.608 -30.119 -6.842 1.00 12.47 H new ATOM 0 HA ASP A 4 19.981 -28.688 -9.084 1.00 12.51 H new ATOM 0 HB2 ASP A 4 18.568 -30.419 -10.039 1.00 13.10 H new ATOM 0 HB3 ASP A 4 17.216 -29.881 -9.062 1.00 13.10 H new ATOM 71 N GLY A 5 17.301 -27.528 -7.712 1.00 11.15 N ATOM 72 CA GLY A 5 16.717 -26.445 -6.946 1.00 10.29 C ATOM 73 C GLY A 5 15.201 -26.564 -6.968 1.00 9.80 C ATOM 74 O GLY A 5 14.658 -27.586 -7.383 1.00 10.21 O ATOM 0 H GLY A 5 16.617 -28.083 -8.226 1.00 11.15 H new ATOM 0 HA2 GLY A 5 17.079 -26.476 -5.918 1.00 10.29 H new ATOM 0 HA3 GLY A 5 17.023 -25.485 -7.363 1.00 10.29 H new ATOM 78 N GLU A 6 14.513 -25.518 -6.518 1.00 9.11 N ATOM 79 CA GLU A 6 13.074 -25.379 -6.661 1.00 8.81 C ATOM 80 C GLU A 6 12.798 -23.876 -6.735 1.00 8.31 C ATOM 81 O GLU A 6 13.630 -23.081 -6.294 1.00 8.23 O ATOM 82 CB GLU A 6 12.359 -26.051 -5.479 1.00 8.65 C ATOM 83 CG GLU A 6 10.887 -26.326 -5.806 1.00 9.51 C ATOM 84 CD GLU A 6 10.198 -27.090 -4.673 1.00 9.65 C ATOM 85 OE1 GLU A 6 9.857 -26.435 -3.664 1.00 9.47 O ATOM 86 OE2 GLU A 6 10.021 -28.319 -4.829 1.00 10.31 O ATOM 0 H GLU A 6 14.951 -24.733 -6.036 1.00 9.11 H new ATOM 0 HA GLU A 6 12.697 -25.871 -7.558 1.00 8.81 H new ATOM 0 HB2 GLU A 6 12.860 -26.987 -5.232 1.00 8.65 H new ATOM 0 HB3 GLU A 6 12.426 -25.411 -4.599 1.00 8.65 H new ATOM 0 HG2 GLU A 6 10.369 -25.383 -5.979 1.00 9.51 H new ATOM 0 HG3 GLU A 6 10.819 -26.901 -6.729 1.00 9.51 H new ATOM 93 N GLU A 7 11.667 -23.466 -7.303 1.00 8.15 N ATOM 94 CA GLU A 7 11.330 -22.060 -7.454 1.00 7.74 C ATOM 95 C GLU A 7 9.819 -21.899 -7.291 1.00 7.36 C ATOM 96 O GLU A 7 9.103 -22.892 -7.155 1.00 7.62 O ATOM 97 CB GLU A 7 11.824 -21.535 -8.814 1.00 8.35 C ATOM 98 CG GLU A 7 12.813 -20.385 -8.605 1.00 8.44 C ATOM 99 CD GLU A 7 13.250 -19.774 -9.937 1.00 9.49 C ATOM 100 OE1 GLU A 7 12.471 -18.951 -10.466 1.00 10.39 O ATOM 101 OE2 GLU A 7 14.352 -20.134 -10.408 1.00 9.75 O ATOM 0 H GLU A 7 10.960 -24.103 -7.671 1.00 8.15 H new ATOM 0 HA GLU A 7 11.827 -21.466 -6.687 1.00 7.74 H new ATOM 0 HB2 GLU A 7 12.303 -22.340 -9.372 1.00 8.35 H new ATOM 0 HB3 GLU A 7 10.978 -21.194 -9.410 1.00 8.35 H new ATOM 0 HG2 GLU A 7 12.353 -19.616 -7.984 1.00 8.44 H new ATOM 0 HG3 GLU A 7 13.688 -20.749 -8.066 1.00 8.44 H new ATOM 108 N GLY A 8 9.333 -20.658 -7.293 1.00 6.98 N ATOM 109 CA GLY A 8 7.933 -20.351 -7.043 1.00 6.84 C ATOM 110 C GLY A 8 7.453 -19.270 -8.002 1.00 6.86 C ATOM 111 O GLY A 8 7.771 -19.305 -9.188 1.00 7.45 O ATOM 0 H GLY A 8 9.908 -19.834 -7.470 1.00 6.98 H new ATOM 0 HA2 GLY A 8 7.329 -21.250 -7.165 1.00 6.84 H new ATOM 0 HA3 GLY A 8 7.804 -20.017 -6.013 1.00 6.84 H new ATOM 115 N THR A 9 6.662 -18.320 -7.511 1.00 6.61 N ATOM 116 CA THR A 9 6.137 -17.230 -8.318 1.00 6.94 C ATOM 117 C THR A 9 5.741 -16.095 -7.365 1.00 6.37 C ATOM 118 O THR A 9 6.159 -16.125 -6.212 1.00 5.96 O ATOM 119 CB THR A 9 4.993 -17.770 -9.193 1.00 8.24 C ATOM 120 OG1 THR A 9 4.600 -16.808 -10.150 1.00 8.86 O ATOM 121 CG2 THR A 9 3.778 -18.206 -8.376 1.00 8.66 C ATOM 0 H THR A 9 6.367 -18.287 -6.535 1.00 6.61 H new ATOM 0 HA THR A 9 6.869 -16.818 -9.012 1.00 6.94 H new ATOM 0 HB THR A 9 5.383 -18.654 -9.698 1.00 8.24 H new ATOM 0 HG1 THR A 9 5.336 -16.180 -10.304 1.00 8.86 H new ATOM 0 HG21 THR A 9 3.003 -18.578 -9.046 1.00 8.66 H new ATOM 0 HG22 THR A 9 4.069 -18.996 -7.684 1.00 8.66 H new ATOM 0 HG23 THR A 9 3.393 -17.355 -7.814 1.00 8.66 H new ATOM 129 N GLU A 10 4.935 -15.132 -7.830 1.00 6.71 N ATOM 130 CA GLU A 10 4.351 -14.061 -7.023 1.00 6.59 C ATOM 131 C GLU A 10 5.427 -13.085 -6.526 1.00 5.02 C ATOM 132 O GLU A 10 5.815 -13.104 -5.362 1.00 4.77 O ATOM 133 CB GLU A 10 3.495 -14.677 -5.896 1.00 7.31 C ATOM 134 CG GLU A 10 2.510 -13.679 -5.279 1.00 8.32 C ATOM 135 CD GLU A 10 1.694 -14.328 -4.160 1.00 10.39 C ATOM 136 OE1 GLU A 10 0.946 -15.279 -4.485 1.00 11.16 O ATOM 137 OE2 GLU A 10 1.820 -13.867 -3.003 1.00 11.52 O ATOM 0 H GLU A 10 4.664 -15.078 -8.812 1.00 6.71 H new ATOM 0 HA GLU A 10 3.684 -13.455 -7.637 1.00 6.59 H new ATOM 0 HB2 GLU A 10 2.941 -15.528 -6.292 1.00 7.31 H new ATOM 0 HB3 GLU A 10 4.153 -15.060 -5.116 1.00 7.31 H new ATOM 0 HG2 GLU A 10 3.056 -12.822 -4.885 1.00 8.32 H new ATOM 0 HG3 GLU A 10 1.839 -13.302 -6.051 1.00 8.32 H new ATOM 144 N GLU A 11 5.920 -12.195 -7.398 1.00 4.48 N ATOM 145 CA GLU A 11 6.886 -11.192 -6.969 1.00 3.32 C ATOM 146 C GLU A 11 6.783 -9.927 -7.829 1.00 3.89 C ATOM 147 O GLU A 11 6.199 -9.954 -8.907 1.00 5.84 O ATOM 148 CB GLU A 11 8.321 -11.753 -6.997 1.00 3.42 C ATOM 149 CG GLU A 11 9.077 -11.244 -5.758 1.00 3.10 C ATOM 150 CD GLU A 11 10.595 -11.377 -5.809 1.00 3.96 C ATOM 151 OE1 GLU A 11 11.199 -10.852 -4.845 1.00 4.14 O ATOM 152 OE2 GLU A 11 11.128 -11.908 -6.806 1.00 5.30 O ATOM 0 H GLU A 11 5.668 -12.153 -8.385 1.00 4.48 H new ATOM 0 HA GLU A 11 6.649 -10.924 -5.939 1.00 3.32 H new ATOM 0 HB2 GLU A 11 8.300 -12.843 -7.005 1.00 3.42 H new ATOM 0 HB3 GLU A 11 8.832 -11.437 -7.907 1.00 3.42 H new ATOM 0 HG2 GLU A 11 8.828 -10.193 -5.609 1.00 3.10 H new ATOM 0 HG3 GLU A 11 8.712 -11.785 -4.885 1.00 3.10 H new ATOM 159 N ASP A 12 7.386 -8.847 -7.320 1.00 2.43 N ATOM 160 CA ASP A 12 7.479 -7.486 -7.841 1.00 2.70 C ATOM 161 C ASP A 12 6.204 -6.709 -7.522 1.00 2.56 C ATOM 162 O ASP A 12 5.148 -6.962 -8.089 1.00 2.91 O ATOM 163 CB ASP A 12 7.891 -7.402 -9.312 1.00 3.16 C ATOM 164 CG ASP A 12 8.427 -5.999 -9.603 1.00 3.52 C ATOM 165 OD1 ASP A 12 8.289 -5.134 -8.704 1.00 3.65 O ATOM 166 OD2 ASP A 12 9.021 -5.816 -10.687 1.00 4.25 O ATOM 0 H ASP A 12 7.877 -8.919 -6.429 1.00 2.43 H new ATOM 0 HA ASP A 12 8.306 -7.002 -7.321 1.00 2.70 H new ATOM 0 HB2 ASP A 12 8.654 -8.149 -9.532 1.00 3.16 H new ATOM 0 HB3 ASP A 12 7.038 -7.619 -9.954 1.00 3.16 H new ATOM 171 N THR A 13 6.288 -5.837 -6.511 1.00 2.20 N ATOM 172 CA THR A 13 5.188 -5.140 -5.834 1.00 1.95 C ATOM 173 C THR A 13 3.929 -5.999 -5.573 1.00 1.76 C ATOM 174 O THR A 13 2.862 -5.439 -5.327 1.00 2.08 O ATOM 175 CB THR A 13 4.906 -3.802 -6.551 1.00 2.40 C ATOM 176 OG1 THR A 13 4.053 -2.983 -5.773 1.00 4.05 O ATOM 177 CG2 THR A 13 4.304 -3.948 -7.951 1.00 3.29 C ATOM 0 H THR A 13 7.193 -5.581 -6.115 1.00 2.20 H new ATOM 0 HA THR A 13 5.520 -4.920 -4.819 1.00 1.95 H new ATOM 0 HB THR A 13 5.886 -3.340 -6.671 1.00 2.40 H new ATOM 0 HG1 THR A 13 3.339 -3.531 -5.384 1.00 4.05 H new ATOM 0 HG21 THR A 13 4.138 -2.960 -8.381 1.00 3.29 H new ATOM 0 HG22 THR A 13 4.990 -4.509 -8.585 1.00 3.29 H new ATOM 0 HG23 THR A 13 3.354 -4.479 -7.885 1.00 3.29 H new ATOM 185 N GLU A 14 4.040 -7.331 -5.576 1.00 1.57 N ATOM 186 CA GLU A 14 2.889 -8.215 -5.700 1.00 1.54 C ATOM 187 C GLU A 14 2.100 -8.295 -4.390 1.00 1.27 C ATOM 188 O GLU A 14 0.970 -7.826 -4.333 1.00 1.48 O ATOM 189 CB GLU A 14 3.380 -9.584 -6.188 1.00 1.62 C ATOM 190 CG GLU A 14 2.273 -10.469 -6.772 1.00 1.99 C ATOM 191 CD GLU A 14 1.769 -9.994 -8.139 1.00 2.98 C ATOM 192 OE1 GLU A 14 2.002 -10.734 -9.122 1.00 3.13 O ATOM 193 OE2 GLU A 14 1.138 -8.914 -8.185 1.00 4.42 O ATOM 0 H GLU A 14 4.931 -7.821 -5.492 1.00 1.57 H new ATOM 0 HA GLU A 14 2.188 -7.817 -6.434 1.00 1.54 H new ATOM 0 HB2 GLU A 14 4.149 -9.434 -6.945 1.00 1.62 H new ATOM 0 HB3 GLU A 14 3.850 -10.108 -5.356 1.00 1.62 H new ATOM 0 HG2 GLU A 14 2.645 -11.489 -6.865 1.00 1.99 H new ATOM 0 HG3 GLU A 14 1.436 -10.498 -6.075 1.00 1.99 H new ATOM 200 N GLU A 15 2.674 -8.848 -3.315 1.00 0.96 N ATOM 201 CA GLU A 15 1.988 -8.903 -2.025 1.00 0.76 C ATOM 202 C GLU A 15 3.003 -8.554 -0.927 1.00 0.55 C ATOM 203 O GLU A 15 3.356 -9.366 -0.076 1.00 0.58 O ATOM 204 CB GLU A 15 1.259 -10.258 -1.839 1.00 0.83 C ATOM 205 CG GLU A 15 -0.179 -9.996 -1.363 1.00 2.16 C ATOM 206 CD GLU A 15 -0.919 -11.234 -0.837 1.00 3.02 C ATOM 207 OE1 GLU A 15 -1.872 -11.672 -1.517 1.00 3.37 O ATOM 208 OE2 GLU A 15 -0.579 -11.682 0.285 1.00 4.13 O ATOM 0 H GLU A 15 3.607 -9.261 -3.315 1.00 0.96 H new ATOM 0 HA GLU A 15 1.188 -8.165 -1.968 1.00 0.76 H new ATOM 0 HB2 GLU A 15 1.249 -10.811 -2.778 1.00 0.83 H new ATOM 0 HB3 GLU A 15 1.789 -10.873 -1.112 1.00 0.83 H new ATOM 0 HG2 GLU A 15 -0.154 -9.243 -0.575 1.00 2.16 H new ATOM 0 HG3 GLU A 15 -0.749 -9.574 -2.190 1.00 2.16 H new ATOM 215 N LYS A 16 3.519 -7.321 -0.959 1.00 0.64 N ATOM 216 CA LYS A 16 4.574 -6.866 -0.050 1.00 0.63 C ATOM 217 C LYS A 16 4.146 -5.529 0.550 1.00 0.57 C ATOM 218 O LYS A 16 4.060 -4.540 -0.172 1.00 0.65 O ATOM 219 CB LYS A 16 5.907 -6.746 -0.814 1.00 0.94 C ATOM 220 CG LYS A 16 6.211 -8.049 -1.565 1.00 1.08 C ATOM 221 CD LYS A 16 7.665 -8.216 -2.024 1.00 1.44 C ATOM 222 CE LYS A 16 7.979 -7.383 -3.262 1.00 1.70 C ATOM 223 NZ LYS A 16 9.312 -7.738 -3.816 1.00 2.05 N ATOM 0 H LYS A 16 3.214 -6.607 -1.621 1.00 0.64 H new ATOM 0 HA LYS A 16 4.725 -7.583 0.757 1.00 0.63 H new ATOM 0 HB2 LYS A 16 5.856 -5.916 -1.519 1.00 0.94 H new ATOM 0 HB3 LYS A 16 6.715 -6.524 -0.117 1.00 0.94 H new ATOM 0 HG2 LYS A 16 5.952 -8.889 -0.921 1.00 1.08 H new ATOM 0 HG3 LYS A 16 5.562 -8.105 -2.439 1.00 1.08 H new ATOM 0 HD2 LYS A 16 8.335 -7.927 -1.214 1.00 1.44 H new ATOM 0 HD3 LYS A 16 7.858 -9.267 -2.237 1.00 1.44 H new ATOM 0 HE2 LYS A 16 7.211 -7.545 -4.019 1.00 1.70 H new ATOM 0 HE3 LYS A 16 7.957 -6.323 -3.007 1.00 1.70 H new ATOM 0 HZ1 LYS A 16 9.496 -7.170 -4.668 1.00 2.05 H new ATOM 0 HZ2 LYS A 16 10.046 -7.544 -3.105 1.00 2.05 H new ATOM 0 HZ3 LYS A 16 9.327 -8.748 -4.063 1.00 2.05 H new ATOM 237 N CYS A 17 3.847 -5.496 1.849 1.00 0.50 N ATOM 238 CA CYS A 17 3.441 -4.288 2.548 1.00 0.50 C ATOM 239 C CYS A 17 4.675 -3.400 2.721 1.00 0.63 C ATOM 240 O CYS A 17 5.605 -3.731 3.456 1.00 0.79 O ATOM 241 CB CYS A 17 2.873 -4.690 3.914 1.00 0.52 C ATOM 242 SG CYS A 17 2.352 -3.238 4.879 1.00 0.71 S ATOM 0 H CYS A 17 3.882 -6.321 2.448 1.00 0.50 H new ATOM 0 HA CYS A 17 2.680 -3.742 1.991 1.00 0.50 H new ATOM 0 HB2 CYS A 17 2.023 -5.357 3.773 1.00 0.52 H new ATOM 0 HB3 CYS A 17 3.626 -5.247 4.472 1.00 0.52 H new ATOM 247 N THR A 18 4.658 -2.222 2.099 1.00 0.68 N ATOM 248 CA THR A 18 5.766 -1.278 2.143 1.00 0.90 C ATOM 249 C THR A 18 5.496 -0.209 3.207 1.00 0.83 C ATOM 250 O THR A 18 5.996 0.913 3.132 1.00 1.18 O ATOM 251 CB THR A 18 5.939 -0.703 0.733 1.00 1.17 C ATOM 252 OG1 THR A 18 4.665 -0.417 0.202 1.00 1.26 O ATOM 253 CG2 THR A 18 6.604 -1.732 -0.191 1.00 1.17 C ATOM 0 H THR A 18 3.865 -1.896 1.546 1.00 0.68 H new ATOM 0 HA THR A 18 6.700 -1.759 2.433 1.00 0.90 H new ATOM 0 HB THR A 18 6.558 0.192 0.795 1.00 1.17 H new ATOM 0 HG1 THR A 18 4.687 0.451 -0.252 1.00 1.26 H new ATOM 0 HG21 THR A 18 6.718 -1.306 -1.188 1.00 1.17 H new ATOM 0 HG22 THR A 18 7.584 -1.997 0.205 1.00 1.17 H new ATOM 0 HG23 THR A 18 5.982 -2.625 -0.248 1.00 1.17 H new ATOM 261 N ILE A 19 4.710 -0.569 4.225 1.00 0.56 N ATOM 262 CA ILE A 19 4.424 0.262 5.377 1.00 0.59 C ATOM 263 C ILE A 19 5.050 -0.409 6.589 1.00 0.75 C ATOM 264 O ILE A 19 5.966 0.133 7.197 1.00 0.89 O ATOM 265 CB ILE A 19 2.921 0.443 5.540 1.00 0.59 C ATOM 266 CG1 ILE A 19 2.388 1.003 4.215 1.00 0.65 C ATOM 267 CG2 ILE A 19 2.673 1.377 6.736 1.00 0.75 C ATOM 268 CD1 ILE A 19 0.971 1.470 4.414 1.00 0.83 C ATOM 0 H ILE A 19 4.245 -1.476 4.263 1.00 0.56 H new ATOM 0 HA ILE A 19 4.845 1.260 5.255 1.00 0.59 H new ATOM 0 HB ILE A 19 2.398 -0.490 5.751 1.00 0.59 H new ATOM 0 HG12 ILE A 19 3.013 1.830 3.877 1.00 0.65 H new ATOM 0 HG13 ILE A 19 2.427 0.237 3.440 1.00 0.65 H new ATOM 0 HG21 ILE A 19 1.601 1.520 6.870 1.00 0.75 H new ATOM 0 HG22 ILE A 19 3.095 0.934 7.638 1.00 0.75 H new ATOM 0 HG23 ILE A 19 3.147 2.341 6.549 1.00 0.75 H new ATOM 0 HD11 ILE A 19 0.585 1.870 3.476 1.00 0.83 H new ATOM 0 HD12 ILE A 19 0.353 0.631 4.733 1.00 0.83 H new ATOM 0 HD13 ILE A 19 0.948 2.248 5.177 1.00 0.83 H new ATOM 280 N CYS A 20 4.574 -1.615 6.904 1.00 0.80 N ATOM 281 CA CYS A 20 5.033 -2.434 8.012 1.00 0.99 C ATOM 282 C CYS A 20 6.221 -3.305 7.579 1.00 1.06 C ATOM 283 O CYS A 20 6.446 -4.358 8.171 1.00 1.22 O ATOM 284 CB CYS A 20 3.844 -3.311 8.450 1.00 1.06 C ATOM 285 SG CYS A 20 3.182 -4.300 7.067 1.00 1.43 S ATOM 0 H CYS A 20 3.828 -2.060 6.369 1.00 0.80 H new ATOM 0 HA CYS A 20 5.374 -1.812 8.839 1.00 0.99 H new ATOM 0 HB2 CYS A 20 4.160 -3.976 9.253 1.00 1.06 H new ATOM 0 HB3 CYS A 20 3.054 -2.677 8.853 1.00 1.06 H new ATOM 290 N LEU A 21 6.959 -2.870 6.549 1.00 1.07 N ATOM 291 CA LEU A 21 8.125 -3.511 5.947 1.00 1.23 C ATOM 292 C LEU A 21 8.085 -5.036 6.058 1.00 1.32 C ATOM 293 O LEU A 21 8.987 -5.646 6.630 1.00 1.56 O ATOM 294 CB LEU A 21 9.419 -2.941 6.552 1.00 1.51 C ATOM 295 CG LEU A 21 9.543 -1.419 6.362 1.00 1.68 C ATOM 296 CD1 LEU A 21 9.197 -0.668 7.650 1.00 1.70 C ATOM 297 CD2 LEU A 21 10.970 -1.048 5.951 1.00 2.10 C ATOM 0 H LEU A 21 6.735 -1.991 6.082 1.00 1.07 H new ATOM 0 HA LEU A 21 8.105 -3.283 4.881 1.00 1.23 H new ATOM 0 HB2 LEU A 21 9.451 -3.174 7.616 1.00 1.51 H new ATOM 0 HB3 LEU A 21 10.277 -3.432 6.092 1.00 1.51 H new ATOM 0 HG LEU A 21 8.840 -1.131 5.580 1.00 1.68 H new ATOM 0 HD11 LEU A 21 9.294 0.405 7.483 1.00 1.70 H new ATOM 0 HD12 LEU A 21 8.172 -0.899 7.942 1.00 1.70 H new ATOM 0 HD13 LEU A 21 9.878 -0.975 8.444 1.00 1.70 H new ATOM 0 HD21 LEU A 21 11.042 0.032 5.820 1.00 2.10 H new ATOM 0 HD22 LEU A 21 11.667 -1.367 6.726 1.00 2.10 H new ATOM 0 HD23 LEU A 21 11.219 -1.544 5.013 1.00 2.10 H new ATOM 309 N SER A 22 7.056 -5.671 5.497 1.00 1.16 N ATOM 310 CA SER A 22 6.951 -7.118 5.554 1.00 1.26 C ATOM 311 C SER A 22 6.214 -7.645 4.331 1.00 1.06 C ATOM 312 O SER A 22 5.553 -6.902 3.608 1.00 1.02 O ATOM 313 CB SER A 22 6.285 -7.550 6.865 1.00 1.41 C ATOM 314 OG SER A 22 5.136 -6.781 7.138 1.00 1.40 O ATOM 0 H SER A 22 6.293 -5.207 5.004 1.00 1.16 H new ATOM 0 HA SER A 22 7.950 -7.553 5.539 1.00 1.26 H new ATOM 0 HB2 SER A 22 6.013 -8.604 6.806 1.00 1.41 H new ATOM 0 HB3 SER A 22 6.995 -7.449 7.686 1.00 1.41 H new ATOM 0 HG SER A 22 5.404 -5.900 7.473 1.00 1.40 H new ATOM 320 N ILE A 23 6.377 -8.937 4.067 1.00 1.00 N ATOM 321 CA ILE A 23 5.709 -9.624 2.981 1.00 0.89 C ATOM 322 C ILE A 23 4.406 -10.174 3.545 1.00 0.86 C ATOM 323 O ILE A 23 4.271 -10.320 4.759 1.00 0.97 O ATOM 324 CB ILE A 23 6.609 -10.748 2.442 1.00 0.95 C ATOM 325 CG1 ILE A 23 8.081 -10.311 2.299 1.00 1.12 C ATOM 326 CG2 ILE A 23 6.063 -11.275 1.108 1.00 0.98 C ATOM 327 CD1 ILE A 23 8.261 -9.041 1.465 1.00 1.81 C ATOM 0 H ILE A 23 6.989 -9.542 4.615 1.00 1.00 H new ATOM 0 HA ILE A 23 5.502 -8.954 2.146 1.00 0.89 H new ATOM 0 HB ILE A 23 6.593 -11.554 3.176 1.00 0.95 H new ATOM 0 HG12 ILE A 23 8.501 -10.147 3.291 1.00 1.12 H new ATOM 0 HG13 ILE A 23 8.650 -11.121 1.841 1.00 1.12 H new ATOM 0 HG21 ILE A 23 6.710 -12.070 0.739 1.00 0.98 H new ATOM 0 HG22 ILE A 23 5.056 -11.666 1.256 1.00 0.98 H new ATOM 0 HG23 ILE A 23 6.034 -10.464 0.381 1.00 0.98 H new ATOM 0 HD11 ILE A 23 9.320 -8.792 1.406 1.00 1.81 H new ATOM 0 HD12 ILE A 23 7.871 -9.207 0.461 1.00 1.81 H new ATOM 0 HD13 ILE A 23 7.720 -8.219 1.933 1.00 1.81 H new ATOM 339 N LEU A 24 3.452 -10.459 2.666 1.00 0.77 N ATOM 340 CA LEU A 24 2.129 -10.905 3.031 1.00 0.81 C ATOM 341 C LEU A 24 1.999 -12.374 2.657 1.00 0.94 C ATOM 342 O LEU A 24 2.175 -13.224 3.522 1.00 1.13 O ATOM 343 CB LEU A 24 1.117 -9.983 2.346 1.00 0.75 C ATOM 344 CG LEU A 24 1.330 -8.517 2.726 1.00 0.72 C ATOM 345 CD1 LEU A 24 0.386 -7.694 1.866 1.00 0.96 C ATOM 346 CD2 LEU A 24 1.075 -8.297 4.209 1.00 1.00 C ATOM 0 H LEU A 24 3.589 -10.382 1.658 1.00 0.77 H new ATOM 0 HA LEU A 24 1.936 -10.844 4.102 1.00 0.81 H new ATOM 0 HB2 LEU A 24 1.200 -10.093 1.265 1.00 0.75 H new ATOM 0 HB3 LEU A 24 0.107 -10.286 2.621 1.00 0.75 H new ATOM 0 HG LEU A 24 2.362 -8.214 2.547 1.00 0.72 H new ATOM 0 HD11 LEU A 24 0.505 -6.637 2.105 1.00 0.96 H new ATOM 0 HD12 LEU A 24 0.618 -7.857 0.813 1.00 0.96 H new ATOM 0 HD13 LEU A 24 -0.642 -7.997 2.062 1.00 0.96 H new ATOM 0 HD21 LEU A 24 1.233 -7.247 4.453 1.00 1.00 H new ATOM 0 HD22 LEU A 24 0.048 -8.574 4.447 1.00 1.00 H new ATOM 0 HD23 LEU A 24 1.761 -8.912 4.791 1.00 1.00 H new ATOM 358 N GLU A 25 1.742 -12.659 1.380 1.00 0.90 N ATOM 359 CA GLU A 25 1.654 -13.989 0.776 1.00 1.05 C ATOM 360 C GLU A 25 0.795 -14.953 1.607 1.00 1.33 C ATOM 361 O GLU A 25 1.044 -16.155 1.648 1.00 2.19 O ATOM 362 CB GLU A 25 3.057 -14.526 0.414 1.00 1.58 C ATOM 363 CG GLU A 25 4.007 -14.762 1.601 1.00 1.09 C ATOM 364 CD GLU A 25 5.376 -15.287 1.154 1.00 1.41 C ATOM 365 OE1 GLU A 25 6.290 -14.445 0.992 1.00 2.24 O ATOM 366 OE2 GLU A 25 5.517 -16.522 1.012 1.00 1.91 O ATOM 0 H GLU A 25 1.579 -11.920 0.696 1.00 0.90 H new ATOM 0 HA GLU A 25 1.118 -13.902 -0.169 1.00 1.05 H new ATOM 0 HB2 GLU A 25 2.938 -15.466 -0.125 1.00 1.58 H new ATOM 0 HB3 GLU A 25 3.529 -13.823 -0.272 1.00 1.58 H new ATOM 0 HG2 GLU A 25 4.139 -13.829 2.149 1.00 1.09 H new ATOM 0 HG3 GLU A 25 3.554 -15.475 2.290 1.00 1.09 H new ATOM 373 N GLU A 26 -0.260 -14.427 2.238 1.00 1.73 N ATOM 374 CA GLU A 26 -1.064 -15.167 3.216 1.00 2.45 C ATOM 375 C GLU A 26 -2.562 -14.991 2.972 1.00 1.67 C ATOM 376 O GLU A 26 -3.399 -15.235 3.838 1.00 2.47 O ATOM 377 CB GLU A 26 -0.663 -14.728 4.636 1.00 3.95 C ATOM 378 CG GLU A 26 0.486 -15.557 5.228 1.00 5.35 C ATOM 379 CD GLU A 26 0.014 -16.914 5.764 1.00 5.68 C ATOM 380 OE1 GLU A 26 0.291 -17.191 6.954 1.00 6.88 O ATOM 381 OE2 GLU A 26 -0.622 -17.664 4.990 1.00 5.33 O ATOM 0 H GLU A 26 -0.582 -13.471 2.084 1.00 1.73 H new ATOM 0 HA GLU A 26 -0.862 -16.232 3.103 1.00 2.45 H new ATOM 0 HB2 GLU A 26 -0.371 -13.678 4.615 1.00 3.95 H new ATOM 0 HB3 GLU A 26 -1.531 -14.804 5.291 1.00 3.95 H new ATOM 0 HG2 GLU A 26 1.246 -15.716 4.464 1.00 5.35 H new ATOM 0 HG3 GLU A 26 0.957 -14.995 6.034 1.00 5.35 H new ATOM 388 N GLY A 27 -2.910 -14.558 1.766 1.00 1.75 N ATOM 389 CA GLY A 27 -4.275 -14.171 1.436 1.00 2.14 C ATOM 390 C GLY A 27 -4.748 -13.060 2.370 1.00 1.60 C ATOM 391 O GLY A 27 -5.923 -12.998 2.730 1.00 1.77 O ATOM 0 H GLY A 27 -2.254 -14.466 0.990 1.00 1.75 H new ATOM 0 HA2 GLY A 27 -4.325 -13.832 0.401 1.00 2.14 H new ATOM 0 HA3 GLY A 27 -4.936 -15.034 1.521 1.00 2.14 H new ATOM 395 N GLU A 28 -3.813 -12.197 2.770 1.00 1.34 N ATOM 396 CA GLU A 28 -4.083 -11.062 3.633 1.00 1.37 C ATOM 397 C GLU A 28 -4.998 -10.063 2.947 1.00 1.20 C ATOM 398 O GLU A 28 -5.182 -10.078 1.728 1.00 1.29 O ATOM 399 CB GLU A 28 -2.762 -10.365 3.985 1.00 1.80 C ATOM 400 CG GLU A 28 -2.211 -10.852 5.327 1.00 2.45 C ATOM 401 CD GLU A 28 -2.930 -10.124 6.461 1.00 3.45 C ATOM 402 OE1 GLU A 28 -2.222 -9.488 7.277 1.00 4.30 O ATOM 403 OE2 GLU A 28 -4.179 -10.123 6.438 1.00 4.05 O ATOM 0 H GLU A 28 -2.834 -12.274 2.495 1.00 1.34 H new ATOM 0 HA GLU A 28 -4.574 -11.426 4.535 1.00 1.37 H new ATOM 0 HB2 GLU A 28 -2.030 -10.553 3.200 1.00 1.80 H new ATOM 0 HB3 GLU A 28 -2.917 -9.287 4.024 1.00 1.80 H new ATOM 0 HG2 GLU A 28 -2.353 -11.928 5.423 1.00 2.45 H new ATOM 0 HG3 GLU A 28 -1.138 -10.666 5.382 1.00 2.45 H new ATOM 410 N ASP A 29 -5.530 -9.129 3.730 1.00 1.32 N ATOM 411 CA ASP A 29 -6.168 -7.981 3.135 1.00 1.41 C ATOM 412 C ASP A 29 -5.133 -7.153 2.373 1.00 1.09 C ATOM 413 O ASP A 29 -4.004 -6.949 2.812 1.00 1.26 O ATOM 414 CB ASP A 29 -6.938 -7.176 4.185 1.00 1.83 C ATOM 415 CG ASP A 29 -6.075 -6.555 5.291 1.00 4.12 C ATOM 416 OD1 ASP A 29 -5.312 -5.601 5.010 1.00 5.47 O ATOM 417 OD2 ASP A 29 -6.234 -6.999 6.444 1.00 5.14 O ATOM 0 H ASP A 29 -5.529 -9.150 4.750 1.00 1.32 H new ATOM 0 HA ASP A 29 -6.913 -8.309 2.410 1.00 1.41 H new ATOM 0 HB2 ASP A 29 -7.484 -6.379 3.681 1.00 1.83 H new ATOM 0 HB3 ASP A 29 -7.680 -7.827 4.647 1.00 1.83 H new ATOM 422 N VAL A 30 -5.497 -6.693 1.182 1.00 1.06 N ATOM 423 CA VAL A 30 -4.621 -5.868 0.371 1.00 0.88 C ATOM 424 C VAL A 30 -5.465 -4.824 -0.334 1.00 0.80 C ATOM 425 O VAL A 30 -6.603 -5.092 -0.716 1.00 1.05 O ATOM 426 CB VAL A 30 -3.811 -6.703 -0.632 1.00 1.03 C ATOM 427 CG1 VAL A 30 -2.779 -7.571 0.087 1.00 1.41 C ATOM 428 CG2 VAL A 30 -4.668 -7.597 -1.536 1.00 1.46 C ATOM 0 H VAL A 30 -6.404 -6.882 0.756 1.00 1.06 H new ATOM 0 HA VAL A 30 -3.891 -5.379 1.016 1.00 0.88 H new ATOM 0 HB VAL A 30 -3.317 -5.973 -1.273 1.00 1.03 H new ATOM 0 HG11 VAL A 30 -2.219 -8.152 -0.645 1.00 1.41 H new ATOM 0 HG12 VAL A 30 -2.093 -6.934 0.646 1.00 1.41 H new ATOM 0 HG13 VAL A 30 -3.288 -8.247 0.774 1.00 1.41 H new ATOM 0 HG21 VAL A 30 -4.022 -8.154 -2.215 1.00 1.46 H new ATOM 0 HG22 VAL A 30 -5.237 -8.295 -0.923 1.00 1.46 H new ATOM 0 HG23 VAL A 30 -5.355 -6.978 -2.114 1.00 1.46 H new ATOM 438 N ARG A 31 -4.918 -3.623 -0.512 1.00 0.69 N ATOM 439 CA ARG A 31 -5.623 -2.556 -1.184 1.00 0.66 C ATOM 440 C ARG A 31 -4.601 -1.853 -2.047 1.00 0.68 C ATOM 441 O ARG A 31 -3.657 -1.250 -1.535 1.00 1.05 O ATOM 442 CB ARG A 31 -6.267 -1.641 -0.134 1.00 0.72 C ATOM 443 CG ARG A 31 -7.264 -0.651 -0.742 1.00 0.95 C ATOM 444 CD ARG A 31 -6.607 0.673 -1.146 1.00 2.42 C ATOM 445 NE ARG A 31 -7.431 1.391 -2.128 1.00 3.13 N ATOM 446 CZ ARG A 31 -8.586 2.020 -1.877 1.00 3.31 C ATOM 447 NH1 ARG A 31 -9.282 2.557 -2.881 1.00 4.27 N ATOM 448 NH2 ARG A 31 -9.052 2.105 -0.630 1.00 3.31 N ATOM 0 H ARG A 31 -3.982 -3.373 -0.194 1.00 0.69 H new ATOM 0 HA ARG A 31 -6.437 -2.909 -1.817 1.00 0.66 H new ATOM 0 HB2 ARG A 31 -6.777 -2.252 0.610 1.00 0.72 H new ATOM 0 HB3 ARG A 31 -5.486 -1.089 0.388 1.00 0.72 H new ATOM 0 HG2 ARG A 31 -7.731 -1.103 -1.617 1.00 0.95 H new ATOM 0 HG3 ARG A 31 -8.059 -0.453 -0.023 1.00 0.95 H new ATOM 0 HD2 ARG A 31 -6.462 1.295 -0.263 1.00 2.42 H new ATOM 0 HD3 ARG A 31 -5.620 0.480 -1.566 1.00 2.42 H new ATOM 0 HE ARG A 31 -7.092 1.412 -3.090 1.00 3.13 H new ATOM 0 HH11 ARG A 31 -8.934 2.488 -3.837 1.00 4.27 H new ATOM 0 HH12 ARG A 31 -10.162 3.037 -2.692 1.00 4.27 H new ATOM 0 HH21 ARG A 31 -8.528 1.689 0.140 1.00 3.31 H new ATOM 0 HH22 ARG A 31 -9.933 2.586 -0.446 1.00 3.31 H new ATOM 462 N ARG A 32 -4.756 -1.949 -3.365 1.00 0.58 N ATOM 463 CA ARG A 32 -3.909 -1.148 -4.221 1.00 0.58 C ATOM 464 C ARG A 32 -4.385 0.291 -4.200 1.00 0.67 C ATOM 465 O ARG A 32 -5.588 0.563 -4.228 1.00 0.99 O ATOM 466 CB ARG A 32 -3.827 -1.674 -5.654 1.00 0.60 C ATOM 467 CG ARG A 32 -5.203 -1.978 -6.255 1.00 1.10 C ATOM 468 CD ARG A 32 -5.236 -1.589 -7.729 1.00 1.13 C ATOM 469 NE ARG A 32 -6.408 -2.187 -8.389 1.00 1.60 N ATOM 470 CZ ARG A 32 -6.539 -2.401 -9.704 1.00 2.19 C ATOM 471 NH1 ARG A 32 -7.585 -3.088 -10.166 1.00 2.64 N ATOM 472 NH2 ARG A 32 -5.622 -1.936 -10.553 1.00 3.09 N ATOM 0 H ARG A 32 -5.431 -2.548 -3.841 1.00 0.58 H new ATOM 0 HA ARG A 32 -2.896 -1.210 -3.824 1.00 0.58 H new ATOM 0 HB2 ARG A 32 -3.318 -0.939 -6.277 1.00 0.60 H new ATOM 0 HB3 ARG A 32 -3.221 -2.580 -5.669 1.00 0.60 H new ATOM 0 HG2 ARG A 32 -5.428 -3.039 -6.147 1.00 1.10 H new ATOM 0 HG3 ARG A 32 -5.974 -1.432 -5.711 1.00 1.10 H new ATOM 0 HD2 ARG A 32 -5.270 -0.504 -7.825 1.00 1.13 H new ATOM 0 HD3 ARG A 32 -4.323 -1.924 -8.221 1.00 1.13 H new ATOM 0 HE ARG A 32 -7.188 -2.462 -7.792 1.00 1.60 H new ATOM 0 HH11 ARG A 32 -8.284 -3.450 -9.517 1.00 2.64 H new ATOM 0 HH12 ARG A 32 -7.686 -3.251 -11.168 1.00 2.64 H new ATOM 0 HH21 ARG A 32 -4.818 -1.416 -10.201 1.00 3.09 H new ATOM 0 HH22 ARG A 32 -5.724 -2.100 -11.554 1.00 3.09 H new ATOM 486 N LEU A 33 -3.438 1.214 -4.177 1.00 0.70 N ATOM 487 CA LEU A 33 -3.683 2.595 -4.480 1.00 0.76 C ATOM 488 C LEU A 33 -3.862 2.730 -5.989 1.00 0.81 C ATOM 489 O LEU A 33 -3.333 1.916 -6.748 1.00 0.89 O ATOM 490 CB LEU A 33 -2.462 3.411 -4.031 1.00 0.91 C ATOM 491 CG LEU A 33 -2.109 3.344 -2.531 1.00 0.78 C ATOM 492 CD1 LEU A 33 -3.301 3.031 -1.621 1.00 2.06 C ATOM 493 CD2 LEU A 33 -1.005 2.324 -2.242 1.00 2.37 C ATOM 0 H LEU A 33 -2.466 1.011 -3.943 1.00 0.70 H new ATOM 0 HA LEU A 33 -4.576 2.955 -3.969 1.00 0.76 H new ATOM 0 HB2 LEU A 33 -1.597 3.074 -4.601 1.00 0.91 H new ATOM 0 HB3 LEU A 33 -2.632 4.455 -4.296 1.00 0.91 H new ATOM 0 HG LEU A 33 -1.761 4.351 -2.300 1.00 0.78 H new ATOM 0 HD11 LEU A 33 -2.969 3.002 -0.583 1.00 2.06 H new ATOM 0 HD12 LEU A 33 -4.060 3.804 -1.737 1.00 2.06 H new ATOM 0 HD13 LEU A 33 -3.723 2.064 -1.894 1.00 2.06 H new ATOM 0 HD21 LEU A 33 -0.791 2.313 -1.173 1.00 2.37 H new ATOM 0 HD22 LEU A 33 -1.333 1.333 -2.557 1.00 2.37 H new ATOM 0 HD23 LEU A 33 -0.104 2.599 -2.790 1.00 2.37 H new ATOM 505 N PRO A 34 -4.523 3.801 -6.447 1.00 0.84 N ATOM 506 CA PRO A 34 -4.578 4.132 -7.859 1.00 0.97 C ATOM 507 C PRO A 34 -3.191 4.467 -8.412 1.00 0.99 C ATOM 508 O PRO A 34 -3.001 4.427 -9.624 1.00 1.18 O ATOM 509 CB PRO A 34 -5.537 5.320 -7.964 1.00 1.04 C ATOM 510 CG PRO A 34 -5.410 5.994 -6.599 1.00 0.96 C ATOM 511 CD PRO A 34 -5.221 4.805 -5.659 1.00 0.83 C ATOM 0 HA PRO A 34 -4.927 3.289 -8.456 1.00 0.97 H new ATOM 0 HB2 PRO A 34 -5.256 5.994 -8.773 1.00 1.04 H new ATOM 0 HB3 PRO A 34 -6.559 4.996 -8.159 1.00 1.04 H new ATOM 0 HG2 PRO A 34 -4.563 6.679 -6.562 1.00 0.96 H new ATOM 0 HG3 PRO A 34 -6.299 6.572 -6.348 1.00 0.96 H new ATOM 0 HD2 PRO A 34 -4.642 5.087 -4.779 1.00 0.83 H new ATOM 0 HD3 PRO A 34 -6.180 4.429 -5.303 1.00 0.83 H new ATOM 519 N CYS A 35 -2.195 4.745 -7.558 1.00 0.85 N ATOM 520 CA CYS A 35 -0.858 5.129 -7.991 1.00 0.88 C ATOM 521 C CYS A 35 -0.005 3.872 -8.257 1.00 0.92 C ATOM 522 O CYS A 35 1.191 3.858 -7.924 1.00 0.99 O ATOM 523 CB CYS A 35 -0.266 6.028 -6.887 1.00 0.91 C ATOM 524 SG CYS A 35 0.431 5.078 -5.496 1.00 1.40 S ATOM 0 H CYS A 35 -2.302 4.707 -6.544 1.00 0.85 H new ATOM 0 HA CYS A 35 -0.880 5.682 -8.930 1.00 0.88 H new ATOM 0 HB2 CYS A 35 0.513 6.657 -7.317 1.00 0.91 H new ATOM 0 HB3 CYS A 35 -1.043 6.694 -6.512 1.00 0.91 H new ATOM 529 N MET A 36 -0.645 2.827 -8.798 1.00 0.97 N ATOM 530 CA MET A 36 -0.210 1.446 -8.945 1.00 0.96 C ATOM 531 C MET A 36 0.797 1.019 -7.883 1.00 0.93 C ATOM 532 O MET A 36 2.000 0.970 -8.120 1.00 1.01 O ATOM 533 CB MET A 36 0.312 1.183 -10.363 1.00 1.15 C ATOM 534 CG MET A 36 -0.836 1.212 -11.375 1.00 1.31 C ATOM 535 SD MET A 36 -0.325 0.802 -13.063 1.00 2.19 S ATOM 536 CE MET A 36 -1.951 0.652 -13.847 1.00 2.66 C ATOM 0 H MET A 36 -1.581 2.950 -9.183 1.00 0.97 H new ATOM 0 HA MET A 36 -1.090 0.823 -8.786 1.00 0.96 H new ATOM 0 HB2 MET A 36 1.056 1.935 -10.627 1.00 1.15 H new ATOM 0 HB3 MET A 36 0.811 0.214 -10.399 1.00 1.15 H new ATOM 0 HG2 MET A 36 -1.607 0.510 -11.057 1.00 1.31 H new ATOM 0 HG3 MET A 36 -1.287 2.204 -11.372 1.00 1.31 H new ATOM 0 HE1 MET A 36 -1.825 0.400 -14.900 1.00 2.66 H new ATOM 0 HE2 MET A 36 -2.523 -0.133 -13.352 1.00 2.66 H new ATOM 0 HE3 MET A 36 -2.485 1.598 -13.761 1.00 2.66 H new ATOM 546 N HIS A 37 0.283 0.680 -6.702 1.00 0.88 N ATOM 547 CA HIS A 37 1.076 0.189 -5.588 1.00 0.92 C ATOM 548 C HIS A 37 0.143 -0.593 -4.666 1.00 0.89 C ATOM 549 O HIS A 37 -1.053 -0.329 -4.689 1.00 1.50 O ATOM 550 CB HIS A 37 1.682 1.396 -4.864 1.00 0.95 C ATOM 551 CG HIS A 37 3.056 1.755 -5.364 1.00 1.15 C ATOM 552 ND1 HIS A 37 3.421 2.922 -6.037 1.00 1.08 N ATOM 553 CD2 HIS A 37 4.153 0.944 -5.255 1.00 1.50 C ATOM 554 CE1 HIS A 37 4.726 2.785 -6.318 1.00 1.37 C ATOM 555 NE2 HIS A 37 5.196 1.613 -5.853 1.00 1.64 N ATOM 0 H HIS A 37 -0.714 0.742 -6.494 1.00 0.88 H new ATOM 0 HA HIS A 37 1.885 -0.463 -5.917 1.00 0.92 H new ATOM 0 HB2 HIS A 37 1.022 2.255 -4.986 1.00 0.95 H new ATOM 0 HB3 HIS A 37 1.734 1.183 -3.796 1.00 0.95 H new ATOM 0 HD2 HIS A 37 4.192 -0.030 -4.791 1.00 1.50 H new ATOM 0 HE1 HIS A 37 5.319 3.517 -6.846 1.00 1.37 H new ATOM 0 HE2 HIS A 37 6.157 1.279 -5.930 1.00 1.64 H new ATOM 563 N LEU A 38 0.654 -1.521 -3.849 1.00 0.90 N ATOM 564 CA LEU A 38 -0.140 -2.374 -2.963 1.00 0.89 C ATOM 565 C LEU A 38 0.454 -2.274 -1.567 1.00 0.92 C ATOM 566 O LEU A 38 1.645 -2.513 -1.405 1.00 1.14 O ATOM 567 CB LEU A 38 -0.113 -3.805 -3.515 1.00 1.24 C ATOM 568 CG LEU A 38 -0.645 -4.875 -2.544 1.00 1.65 C ATOM 569 CD1 LEU A 38 -1.431 -5.909 -3.350 1.00 1.81 C ATOM 570 CD2 LEU A 38 0.490 -5.570 -1.788 1.00 2.76 C ATOM 0 H LEU A 38 1.656 -1.703 -3.785 1.00 0.90 H new ATOM 0 HA LEU A 38 -1.183 -2.062 -2.912 1.00 0.89 H new ATOM 0 HB2 LEU A 38 -0.703 -3.839 -4.431 1.00 1.24 H new ATOM 0 HB3 LEU A 38 0.912 -4.057 -3.787 1.00 1.24 H new ATOM 0 HG LEU A 38 -1.283 -4.390 -1.805 1.00 1.65 H new ATOM 0 HD11 LEU A 38 -1.817 -6.677 -2.679 1.00 1.81 H new ATOM 0 HD12 LEU A 38 -2.262 -5.419 -3.857 1.00 1.81 H new ATOM 0 HD13 LEU A 38 -0.775 -6.369 -4.089 1.00 1.81 H new ATOM 0 HD21 LEU A 38 0.073 -6.318 -1.113 1.00 2.76 H new ATOM 0 HD22 LEU A 38 1.158 -6.055 -2.500 1.00 2.76 H new ATOM 0 HD23 LEU A 38 1.049 -4.832 -1.212 1.00 2.76 H new ATOM 582 N PHE A 39 -0.330 -1.831 -0.578 1.00 1.02 N ATOM 583 CA PHE A 39 0.212 -1.379 0.705 1.00 1.44 C ATOM 584 C PHE A 39 -0.627 -1.961 1.871 1.00 1.87 C ATOM 585 O PHE A 39 -1.010 -1.242 2.797 1.00 3.66 O ATOM 586 CB PHE A 39 0.273 0.176 0.722 1.00 1.52 C ATOM 587 CG PHE A 39 1.494 0.923 0.155 1.00 1.46 C ATOM 588 CD1 PHE A 39 2.055 0.634 -1.104 1.00 1.81 C ATOM 589 CD2 PHE A 39 2.044 2.006 0.876 1.00 2.85 C ATOM 590 CE1 PHE A 39 3.160 1.360 -1.592 1.00 1.95 C ATOM 591 CE2 PHE A 39 3.137 2.744 0.388 1.00 2.92 C ATOM 592 CZ PHE A 39 3.701 2.420 -0.854 1.00 1.75 C ATOM 0 H PHE A 39 -1.346 -1.776 -0.644 1.00 1.02 H new ATOM 0 HA PHE A 39 1.230 -1.746 0.837 1.00 1.44 H new ATOM 0 HB2 PHE A 39 -0.602 0.537 0.182 1.00 1.52 H new ATOM 0 HB3 PHE A 39 0.159 0.490 1.760 1.00 1.52 H new ATOM 0 HD1 PHE A 39 1.632 -0.157 -1.705 1.00 1.81 H new ATOM 0 HD2 PHE A 39 1.613 2.275 1.829 1.00 2.85 H new ATOM 0 HE1 PHE A 39 3.594 1.096 -2.545 1.00 1.95 H new ATOM 0 HE2 PHE A 39 3.542 3.559 0.969 1.00 2.92 H new ATOM 0 HZ PHE A 39 4.541 2.980 -1.236 1.00 1.75 H new ATOM 602 N HIS A 40 -0.891 -3.281 1.861 1.00 0.80 N ATOM 603 CA HIS A 40 -1.866 -3.921 2.768 1.00 0.72 C ATOM 604 C HIS A 40 -3.251 -3.285 2.532 1.00 0.76 C ATOM 605 O HIS A 40 -3.408 -2.495 1.603 1.00 1.71 O ATOM 606 CB HIS A 40 -1.393 -3.787 4.238 1.00 0.97 C ATOM 607 CG HIS A 40 -1.202 -5.059 5.042 1.00 0.78 C ATOM 608 ND1 HIS A 40 -0.179 -5.258 5.975 1.00 0.90 N ATOM 609 CD2 HIS A 40 -2.082 -6.097 5.143 1.00 0.89 C ATOM 610 CE1 HIS A 40 -0.447 -6.423 6.585 1.00 1.14 C ATOM 611 NE2 HIS A 40 -1.578 -6.954 6.095 1.00 1.14 N ATOM 0 H HIS A 40 -0.435 -3.935 1.225 1.00 0.80 H new ATOM 0 HA HIS A 40 -1.943 -4.988 2.560 1.00 0.72 H new ATOM 0 HB2 HIS A 40 -0.446 -3.247 4.236 1.00 0.97 H new ATOM 0 HB3 HIS A 40 -2.115 -3.163 4.766 1.00 0.97 H new ATOM 0 HD2 HIS A 40 -2.997 -6.222 4.584 1.00 0.89 H new ATOM 0 HE1 HIS A 40 0.160 -6.869 7.359 1.00 1.14 H new ATOM 0 HE2 HIS A 40 -1.993 -7.841 6.379 1.00 1.14 H new ATOM 619 N GLN A 41 -4.263 -3.602 3.343 1.00 0.63 N ATOM 620 CA GLN A 41 -5.481 -2.794 3.447 1.00 0.68 C ATOM 621 C GLN A 41 -5.573 -2.171 4.839 1.00 0.65 C ATOM 622 O GLN A 41 -6.059 -1.048 4.961 1.00 1.01 O ATOM 623 CB GLN A 41 -6.744 -3.590 3.085 1.00 0.94 C ATOM 624 CG GLN A 41 -7.985 -2.700 2.899 1.00 1.24 C ATOM 625 CD GLN A 41 -8.982 -2.839 4.048 1.00 1.45 C ATOM 626 OE1 GLN A 41 -9.962 -3.564 3.941 1.00 2.10 O ATOM 627 NE2 GLN A 41 -8.769 -2.144 5.158 1.00 2.81 N ATOM 0 H GLN A 41 -4.262 -4.425 3.946 1.00 0.63 H new ATOM 0 HA GLN A 41 -5.419 -1.990 2.713 1.00 0.68 H new ATOM 0 HB2 GLN A 41 -6.564 -4.148 2.166 1.00 0.94 H new ATOM 0 HB3 GLN A 41 -6.943 -4.321 3.869 1.00 0.94 H new ATOM 0 HG2 GLN A 41 -7.673 -1.659 2.817 1.00 1.24 H new ATOM 0 HG3 GLN A 41 -8.477 -2.960 1.962 1.00 1.24 H new ATOM 0 HE21 GLN A 41 -7.948 -1.543 5.234 1.00 2.81 H new ATOM 0 HE22 GLN A 41 -9.426 -2.210 5.935 1.00 2.81 H new ATOM 636 N VAL A 42 -5.110 -2.849 5.892 1.00 0.59 N ATOM 637 CA VAL A 42 -4.993 -2.228 7.208 1.00 0.69 C ATOM 638 C VAL A 42 -3.929 -1.132 7.171 1.00 0.72 C ATOM 639 O VAL A 42 -4.249 0.029 7.398 1.00 0.98 O ATOM 640 CB VAL A 42 -4.693 -3.290 8.282 1.00 0.78 C ATOM 641 CG1 VAL A 42 -4.444 -2.659 9.657 1.00 0.87 C ATOM 642 CG2 VAL A 42 -5.874 -4.253 8.421 1.00 0.91 C ATOM 0 H VAL A 42 -4.812 -3.824 5.857 1.00 0.59 H new ATOM 0 HA VAL A 42 -5.942 -1.763 7.475 1.00 0.69 H new ATOM 0 HB VAL A 42 -3.795 -3.817 7.958 1.00 0.78 H new ATOM 0 HG11 VAL A 42 -4.236 -3.443 10.385 1.00 0.87 H new ATOM 0 HG12 VAL A 42 -3.591 -1.983 9.598 1.00 0.87 H new ATOM 0 HG13 VAL A 42 -5.328 -2.101 9.967 1.00 0.87 H new ATOM 0 HG21 VAL A 42 -5.648 -4.998 9.184 1.00 0.91 H new ATOM 0 HG22 VAL A 42 -6.765 -3.696 8.711 1.00 0.91 H new ATOM 0 HG23 VAL A 42 -6.051 -4.751 7.468 1.00 0.91 H new ATOM 652 N CYS A 43 -2.661 -1.475 6.914 1.00 0.74 N ATOM 653 CA CYS A 43 -1.552 -0.557 7.156 1.00 0.95 C ATOM 654 C CYS A 43 -1.669 0.729 6.336 1.00 0.71 C ATOM 655 O CYS A 43 -1.241 1.789 6.794 1.00 0.69 O ATOM 656 CB CYS A 43 -0.235 -1.227 6.786 1.00 1.30 C ATOM 657 SG CYS A 43 0.040 -2.688 7.802 1.00 1.64 S ATOM 0 H CYS A 43 -2.382 -2.382 6.539 1.00 0.74 H new ATOM 0 HA CYS A 43 -1.584 -0.301 8.215 1.00 0.95 H new ATOM 0 HB2 CYS A 43 -0.246 -1.507 5.733 1.00 1.30 H new ATOM 0 HB3 CYS A 43 0.587 -0.524 6.920 1.00 1.30 H new ATOM 662 N VAL A 44 -2.167 0.652 5.099 1.00 0.63 N ATOM 663 CA VAL A 44 -2.474 1.853 4.336 1.00 0.64 C ATOM 664 C VAL A 44 -3.288 2.811 5.206 1.00 0.67 C ATOM 665 O VAL A 44 -2.895 3.963 5.374 1.00 0.73 O ATOM 666 CB VAL A 44 -3.109 1.515 2.975 1.00 0.71 C ATOM 667 CG1 VAL A 44 -4.327 0.602 3.079 1.00 1.68 C ATOM 668 CG2 VAL A 44 -3.502 2.780 2.209 1.00 1.90 C ATOM 0 H VAL A 44 -2.363 -0.223 4.613 1.00 0.63 H new ATOM 0 HA VAL A 44 -1.555 2.377 4.074 1.00 0.64 H new ATOM 0 HB VAL A 44 -2.334 0.975 2.431 1.00 0.71 H new ATOM 0 HG11 VAL A 44 -4.722 0.407 2.082 1.00 1.68 H new ATOM 0 HG12 VAL A 44 -4.037 -0.340 3.545 1.00 1.68 H new ATOM 0 HG13 VAL A 44 -5.094 1.086 3.684 1.00 1.68 H new ATOM 0 HG21 VAL A 44 -3.947 2.503 1.253 1.00 1.90 H new ATOM 0 HG22 VAL A 44 -4.224 3.350 2.794 1.00 1.90 H new ATOM 0 HG23 VAL A 44 -2.615 3.389 2.034 1.00 1.90 H new ATOM 678 N ASP A 45 -4.351 2.345 5.861 1.00 0.72 N ATOM 679 CA ASP A 45 -5.124 3.186 6.768 1.00 0.88 C ATOM 680 C ASP A 45 -4.510 3.238 8.173 1.00 0.89 C ATOM 681 O ASP A 45 -5.210 3.255 9.180 1.00 1.01 O ATOM 682 CB ASP A 45 -6.583 2.714 6.811 1.00 1.05 C ATOM 683 CG ASP A 45 -7.518 3.873 7.176 1.00 1.77 C ATOM 684 OD1 ASP A 45 -8.629 3.579 7.668 1.00 2.37 O ATOM 685 OD2 ASP A 45 -7.140 5.036 6.893 1.00 2.76 O ATOM 0 H ASP A 45 -4.695 1.388 5.779 1.00 0.72 H new ATOM 0 HA ASP A 45 -5.099 4.205 6.382 1.00 0.88 H new ATOM 0 HB2 ASP A 45 -6.866 2.303 5.842 1.00 1.05 H new ATOM 0 HB3 ASP A 45 -6.689 1.911 7.541 1.00 1.05 H new ATOM 690 N GLN A 46 -3.179 3.305 8.246 1.00 0.86 N ATOM 691 CA GLN A 46 -2.418 3.461 9.475 1.00 0.98 C ATOM 692 C GLN A 46 -1.338 4.514 9.243 1.00 1.05 C ATOM 693 O GLN A 46 -1.206 5.445 10.030 1.00 1.33 O ATOM 694 CB GLN A 46 -1.820 2.108 9.900 1.00 0.98 C ATOM 695 CG GLN A 46 -1.241 2.111 11.319 1.00 1.16 C ATOM 696 CD GLN A 46 -2.321 1.951 12.385 1.00 2.17 C ATOM 697 OE1 GLN A 46 -2.894 0.881 12.542 1.00 3.43 O ATOM 698 NE2 GLN A 46 -2.599 2.993 13.156 1.00 3.29 N ATOM 0 H GLN A 46 -2.586 3.250 7.418 1.00 0.86 H new ATOM 0 HA GLN A 46 -3.063 3.795 10.287 1.00 0.98 H new ATOM 0 HB2 GLN A 46 -2.593 1.342 9.834 1.00 0.98 H new ATOM 0 HB3 GLN A 46 -1.035 1.831 9.197 1.00 0.98 H new ATOM 0 HG2 GLN A 46 -0.516 1.303 11.415 1.00 1.16 H new ATOM 0 HG3 GLN A 46 -0.703 3.044 11.487 1.00 1.16 H new ATOM 0 HE21 GLN A 46 -2.113 3.878 13.012 1.00 3.29 H new ATOM 0 HE22 GLN A 46 -3.299 2.910 13.893 1.00 3.29 H new ATOM 707 N ARG A 47 -0.558 4.381 8.163 1.00 0.93 N ATOM 708 CA ARG A 47 0.444 5.382 7.810 1.00 1.01 C ATOM 709 C ARG A 47 -0.158 6.515 6.986 1.00 1.01 C ATOM 710 O ARG A 47 0.314 7.643 7.090 1.00 1.12 O ATOM 711 CB ARG A 47 1.617 4.724 7.080 1.00 1.02 C ATOM 712 CG ARG A 47 2.748 5.716 6.772 1.00 1.19 C ATOM 713 CD ARG A 47 3.946 4.971 6.173 1.00 1.45 C ATOM 714 NE ARG A 47 5.091 5.864 5.944 1.00 1.63 N ATOM 715 CZ ARG A 47 6.243 5.495 5.368 1.00 1.90 C ATOM 716 NH1 ARG A 47 7.254 6.362 5.289 1.00 2.28 N ATOM 717 NH2 ARG A 47 6.386 4.263 4.873 1.00 2.47 N ATOM 0 H ARG A 47 -0.605 3.589 7.522 1.00 0.93 H new ATOM 0 HA ARG A 47 0.818 5.825 8.733 1.00 1.01 H new ATOM 0 HB2 ARG A 47 2.009 3.909 7.689 1.00 1.02 H new ATOM 0 HB3 ARG A 47 1.260 4.284 6.149 1.00 1.02 H new ATOM 0 HG2 ARG A 47 2.396 6.477 6.075 1.00 1.19 H new ATOM 0 HG3 ARG A 47 3.049 6.233 7.683 1.00 1.19 H new ATOM 0 HD2 ARG A 47 4.244 4.165 6.843 1.00 1.45 H new ATOM 0 HD3 ARG A 47 3.652 4.510 5.230 1.00 1.45 H new ATOM 0 HE ARG A 47 5.002 6.834 6.245 1.00 1.63 H new ATOM 0 HH11 ARG A 47 7.149 7.304 5.667 1.00 2.28 H new ATOM 0 HH12 ARG A 47 8.132 6.083 4.851 1.00 2.28 H new ATOM 0 HH21 ARG A 47 5.616 3.597 4.932 1.00 2.47 H new ATOM 0 HH22 ARG A 47 7.265 3.988 4.436 1.00 2.47 H new ATOM 731 N LEU A 48 -1.122 6.225 6.107 1.00 0.92 N ATOM 732 CA LEU A 48 -1.692 7.256 5.251 1.00 0.97 C ATOM 733 C LEU A 48 -2.764 7.991 6.055 1.00 1.15 C ATOM 734 O LEU A 48 -2.573 9.164 6.340 1.00 2.40 O ATOM 735 CB LEU A 48 -2.247 6.701 3.923 1.00 0.96 C ATOM 736 CG LEU A 48 -1.220 6.133 2.920 1.00 0.88 C ATOM 737 CD1 LEU A 48 -0.411 7.243 2.251 1.00 0.89 C ATOM 738 CD2 LEU A 48 -0.220 5.133 3.509 1.00 1.03 C ATOM 0 H LEU A 48 -1.517 5.294 5.974 1.00 0.92 H new ATOM 0 HA LEU A 48 -0.903 7.947 4.953 1.00 0.97 H new ATOM 0 HB2 LEU A 48 -2.963 5.914 4.157 1.00 0.96 H new ATOM 0 HB3 LEU A 48 -2.800 7.498 3.427 1.00 0.96 H new ATOM 0 HG LEU A 48 -1.843 5.601 2.201 1.00 0.88 H new ATOM 0 HD11 LEU A 48 0.301 6.804 1.552 1.00 0.89 H new ATOM 0 HD12 LEU A 48 -1.084 7.910 1.712 1.00 0.89 H new ATOM 0 HD13 LEU A 48 0.128 7.809 3.011 1.00 0.89 H new ATOM 0 HD21 LEU A 48 0.458 4.792 2.726 1.00 1.03 H new ATOM 0 HD22 LEU A 48 0.353 5.615 4.301 1.00 1.03 H new ATOM 0 HD23 LEU A 48 -0.759 4.279 3.919 1.00 1.03 H new ATOM 750 N ILE A 49 -3.862 7.304 6.408 1.00 1.09 N ATOM 751 CA ILE A 49 -5.040 7.850 7.096 1.00 1.32 C ATOM 752 C ILE A 49 -5.491 9.182 6.477 1.00 2.00 C ATOM 753 O ILE A 49 -5.054 10.258 6.875 1.00 1.54 O ATOM 754 CB ILE A 49 -4.808 7.941 8.621 1.00 1.26 C ATOM 755 CG1 ILE A 49 -4.515 6.549 9.205 1.00 1.26 C ATOM 756 CG2 ILE A 49 -6.043 8.531 9.331 1.00 2.31 C ATOM 757 CD1 ILE A 49 -4.192 6.603 10.703 1.00 2.39 C ATOM 0 H ILE A 49 -3.956 6.307 6.212 1.00 1.09 H new ATOM 0 HA ILE A 49 -5.866 7.154 6.951 1.00 1.32 H new ATOM 0 HB ILE A 49 -3.952 8.595 8.786 1.00 1.26 H new ATOM 0 HG12 ILE A 49 -5.377 5.901 9.044 1.00 1.26 H new ATOM 0 HG13 ILE A 49 -3.677 6.102 8.671 1.00 1.26 H new ATOM 0 HG21 ILE A 49 -5.855 8.585 10.403 1.00 2.31 H new ATOM 0 HG22 ILE A 49 -6.240 9.532 8.946 1.00 2.31 H new ATOM 0 HG23 ILE A 49 -6.908 7.894 9.146 1.00 2.31 H new ATOM 0 HD11 ILE A 49 -3.993 5.596 11.069 1.00 2.39 H new ATOM 0 HD12 ILE A 49 -3.313 7.228 10.863 1.00 2.39 H new ATOM 0 HD13 ILE A 49 -5.040 7.024 11.243 1.00 2.39 H new ATOM 769 N THR A 50 -6.404 9.116 5.505 1.00 4.01 N ATOM 770 CA THR A 50 -6.984 10.312 4.893 1.00 5.11 C ATOM 771 C THR A 50 -5.901 11.212 4.274 1.00 4.40 C ATOM 772 O THR A 50 -6.055 12.429 4.162 1.00 5.08 O ATOM 773 CB THR A 50 -7.876 11.014 5.936 1.00 6.55 C ATOM 774 OG1 THR A 50 -8.633 10.040 6.627 1.00 7.48 O ATOM 775 CG2 THR A 50 -8.879 12.000 5.330 1.00 8.34 C ATOM 0 H THR A 50 -6.759 8.239 5.123 1.00 4.01 H new ATOM 0 HA THR A 50 -7.619 10.040 4.050 1.00 5.11 H new ATOM 0 HB THR A 50 -7.197 11.569 6.583 1.00 6.55 H new ATOM 0 HG1 THR A 50 -9.201 10.480 7.293 1.00 7.48 H new ATOM 0 HG21 THR A 50 -9.470 12.453 6.126 1.00 8.34 H new ATOM 0 HG22 THR A 50 -8.342 12.779 4.788 1.00 8.34 H new ATOM 0 HG23 THR A 50 -9.540 11.471 4.644 1.00 8.34 H new ATOM 783 N ASN A 51 -4.798 10.611 3.820 1.00 3.23 N ATOM 784 CA ASN A 51 -3.697 11.292 3.156 1.00 2.54 C ATOM 785 C ASN A 51 -3.678 10.866 1.691 1.00 1.96 C ATOM 786 O ASN A 51 -4.090 9.757 1.357 1.00 2.28 O ATOM 787 CB ASN A 51 -2.368 10.951 3.838 1.00 2.45 C ATOM 788 CG ASN A 51 -1.193 11.405 2.982 1.00 2.25 C ATOM 789 OD1 ASN A 51 -1.091 12.567 2.613 1.00 2.14 O ATOM 790 ND2 ASN A 51 -0.348 10.476 2.557 1.00 2.88 N ATOM 0 H ASN A 51 -4.648 9.606 3.910 1.00 3.23 H new ATOM 0 HA ASN A 51 -3.834 12.371 3.221 1.00 2.54 H new ATOM 0 HB2 ASN A 51 -2.320 11.432 4.815 1.00 2.45 H new ATOM 0 HB3 ASN A 51 -2.306 9.876 4.009 1.00 2.45 H new ATOM 0 HD21 ASN A 51 0.402 10.725 1.912 1.00 2.88 H new ATOM 0 HD22 ASN A 51 -0.448 9.512 2.875 1.00 2.88 H new ATOM 797 N LYS A 52 -3.180 11.737 0.812 1.00 1.43 N ATOM 798 CA LYS A 52 -3.217 11.558 -0.616 1.00 1.35 C ATOM 799 C LYS A 52 -1.851 11.969 -1.114 1.00 0.86 C ATOM 800 O LYS A 52 -1.680 13.044 -1.671 1.00 1.54 O ATOM 801 CB LYS A 52 -4.339 12.380 -1.279 1.00 2.04 C ATOM 802 CG LYS A 52 -4.759 13.685 -0.580 1.00 2.55 C ATOM 803 CD LYS A 52 -5.848 13.402 0.462 1.00 2.28 C ATOM 804 CE LYS A 52 -6.378 14.642 1.167 1.00 3.41 C ATOM 805 NZ LYS A 52 -7.332 14.234 2.220 1.00 3.70 N ATOM 0 H LYS A 52 -2.730 12.607 1.096 1.00 1.43 H new ATOM 0 HA LYS A 52 -3.441 10.523 -0.874 1.00 1.35 H new ATOM 0 HB2 LYS A 52 -4.024 12.626 -2.293 1.00 2.04 H new ATOM 0 HB3 LYS A 52 -5.220 11.743 -1.364 1.00 2.04 H new ATOM 0 HG2 LYS A 52 -3.895 14.142 -0.098 1.00 2.55 H new ATOM 0 HG3 LYS A 52 -5.128 14.398 -1.317 1.00 2.55 H new ATOM 0 HD2 LYS A 52 -6.679 12.893 -0.027 1.00 2.28 H new ATOM 0 HD3 LYS A 52 -5.450 12.716 1.209 1.00 2.28 H new ATOM 0 HE2 LYS A 52 -5.554 15.206 1.605 1.00 3.41 H new ATOM 0 HE3 LYS A 52 -6.869 15.300 0.450 1.00 3.41 H new ATOM 0 HZ1 LYS A 52 -7.917 15.049 2.493 1.00 3.70 H new ATOM 0 HZ2 LYS A 52 -7.944 13.474 1.859 1.00 3.70 H new ATOM 0 HZ3 LYS A 52 -6.807 13.891 3.050 1.00 3.70 H new ATOM 819 N LYS A 53 -0.865 11.095 -0.935 1.00 0.48 N ATOM 820 CA LYS A 53 0.310 11.193 -1.774 1.00 0.77 C ATOM 821 C LYS A 53 0.979 9.826 -1.847 1.00 0.71 C ATOM 822 O LYS A 53 1.164 9.192 -0.808 1.00 0.86 O ATOM 823 CB LYS A 53 1.279 12.290 -1.294 1.00 1.33 C ATOM 824 CG LYS A 53 1.624 12.214 0.198 1.00 2.38 C ATOM 825 CD LYS A 53 2.668 13.271 0.582 1.00 3.09 C ATOM 826 CE LYS A 53 3.709 12.683 1.541 1.00 4.81 C ATOM 827 NZ LYS A 53 3.131 12.333 2.858 1.00 6.45 N ATOM 0 H LYS A 53 -0.858 10.343 -0.246 1.00 0.48 H new ATOM 0 HA LYS A 53 0.006 11.493 -2.777 1.00 0.77 H new ATOM 0 HB2 LYS A 53 2.200 12.224 -1.872 1.00 1.33 H new ATOM 0 HB3 LYS A 53 0.840 13.265 -1.505 1.00 1.33 H new ATOM 0 HG2 LYS A 53 0.721 12.360 0.790 1.00 2.38 H new ATOM 0 HG3 LYS A 53 2.004 11.221 0.436 1.00 2.38 H new ATOM 0 HD2 LYS A 53 3.163 13.643 -0.315 1.00 3.09 H new ATOM 0 HD3 LYS A 53 2.175 14.123 1.051 1.00 3.09 H new ATOM 0 HE2 LYS A 53 4.149 11.792 1.093 1.00 4.81 H new ATOM 0 HE3 LYS A 53 4.516 13.402 1.681 1.00 4.81 H new ATOM 0 HZ1 LYS A 53 3.874 11.940 3.470 1.00 6.45 H new ATOM 0 HZ2 LYS A 53 2.734 13.186 3.301 1.00 6.45 H new ATOM 0 HZ3 LYS A 53 2.378 11.627 2.730 1.00 6.45 H new ATOM 841 N CYS A 54 1.324 9.380 -3.053 1.00 0.74 N ATOM 842 CA CYS A 54 2.142 8.210 -3.309 1.00 0.85 C ATOM 843 C CYS A 54 3.560 8.776 -3.376 1.00 1.01 C ATOM 844 O CYS A 54 3.756 9.747 -4.106 1.00 1.11 O ATOM 845 CB CYS A 54 1.726 7.642 -4.679 1.00 0.93 C ATOM 846 SG CYS A 54 2.263 5.892 -4.856 1.00 1.14 S ATOM 0 H CYS A 54 1.026 9.847 -3.909 1.00 0.74 H new ATOM 0 HA CYS A 54 2.050 7.417 -2.567 1.00 0.85 H new ATOM 0 HB2 CYS A 54 0.644 7.707 -4.791 1.00 0.93 H new ATOM 0 HB3 CYS A 54 2.165 8.243 -5.475 1.00 0.93 H new ATOM 851 N PRO A 55 4.537 8.256 -2.619 1.00 1.32 N ATOM 852 CA PRO A 55 5.837 8.892 -2.508 1.00 1.63 C ATOM 853 C PRO A 55 6.613 8.823 -3.817 1.00 1.72 C ATOM 854 O PRO A 55 6.772 9.842 -4.484 1.00 2.20 O ATOM 855 CB PRO A 55 6.538 8.214 -1.326 1.00 2.10 C ATOM 856 CG PRO A 55 5.828 6.865 -1.193 1.00 2.13 C ATOM 857 CD PRO A 55 4.411 7.150 -1.689 1.00 1.63 C ATOM 0 HA PRO A 55 5.755 9.962 -2.318 1.00 1.63 H new ATOM 0 HB2 PRO A 55 7.604 8.086 -1.515 1.00 2.10 H new ATOM 0 HB3 PRO A 55 6.444 8.805 -0.415 1.00 2.10 H new ATOM 0 HG2 PRO A 55 6.315 6.096 -1.792 1.00 2.13 H new ATOM 0 HG3 PRO A 55 5.828 6.513 -0.161 1.00 2.13 H new ATOM 0 HD2 PRO A 55 3.983 6.274 -2.177 1.00 1.63 H new ATOM 0 HD3 PRO A 55 3.751 7.408 -0.861 1.00 1.63 H new ATOM 865 N ILE A 56 7.096 7.644 -4.209 1.00 2.31 N ATOM 866 CA ILE A 56 7.867 7.501 -5.437 1.00 2.51 C ATOM 867 C ILE A 56 6.933 7.303 -6.638 1.00 2.50 C ATOM 868 O ILE A 56 7.033 6.314 -7.359 1.00 3.54 O ATOM 869 CB ILE A 56 8.896 6.365 -5.292 1.00 2.92 C ATOM 870 CG1 ILE A 56 8.256 5.052 -4.799 1.00 4.01 C ATOM 871 CG2 ILE A 56 10.003 6.804 -4.321 1.00 4.37 C ATOM 872 CD1 ILE A 56 9.050 3.832 -5.274 1.00 4.92 C ATOM 0 H ILE A 56 6.965 6.775 -3.691 1.00 2.31 H new ATOM 0 HA ILE A 56 8.427 8.418 -5.621 1.00 2.51 H new ATOM 0 HB ILE A 56 9.314 6.167 -6.279 1.00 2.92 H new ATOM 0 HG12 ILE A 56 8.208 5.055 -3.710 1.00 4.01 H new ATOM 0 HG13 ILE A 56 7.231 4.986 -5.163 1.00 4.01 H new ATOM 0 HG21 ILE A 56 10.734 6.002 -4.216 1.00 4.37 H new ATOM 0 HG22 ILE A 56 10.496 7.695 -4.710 1.00 4.37 H new ATOM 0 HG23 ILE A 56 9.566 7.027 -3.348 1.00 4.37 H new ATOM 0 HD11 ILE A 56 8.572 2.923 -4.909 1.00 4.92 H new ATOM 0 HD12 ILE A 56 9.076 3.816 -6.364 1.00 4.92 H new ATOM 0 HD13 ILE A 56 10.068 3.887 -4.888 1.00 4.92 H new ATOM 884 N CYS A 57 6.018 8.256 -6.825 1.00 1.83 N ATOM 885 CA CYS A 57 4.948 8.257 -7.818 1.00 1.78 C ATOM 886 C CYS A 57 4.488 9.710 -7.999 1.00 1.80 C ATOM 887 O CYS A 57 4.361 10.191 -9.119 1.00 2.32 O ATOM 888 CB CYS A 57 3.774 7.476 -7.223 1.00 1.75 C ATOM 889 SG CYS A 57 3.738 5.733 -7.697 1.00 1.30 S ATOM 0 H CYS A 57 6.006 9.099 -6.250 1.00 1.83 H new ATOM 0 HA CYS A 57 5.279 7.825 -8.762 1.00 1.78 H new ATOM 0 HB2 CYS A 57 3.818 7.546 -6.136 1.00 1.75 H new ATOM 0 HB3 CYS A 57 2.842 7.947 -7.535 1.00 1.75 H new ATOM 894 N ARG A 58 4.212 10.393 -6.881 1.00 1.89 N ATOM 895 CA ARG A 58 3.696 11.752 -6.809 1.00 1.85 C ATOM 896 C ARG A 58 2.313 11.838 -7.451 1.00 1.73 C ATOM 897 O ARG A 58 2.080 12.614 -8.372 1.00 2.01 O ATOM 898 CB ARG A 58 4.738 12.736 -7.360 1.00 2.26 C ATOM 899 CG ARG A 58 4.405 14.189 -7.006 1.00 2.15 C ATOM 900 CD ARG A 58 5.658 15.049 -7.183 1.00 3.17 C ATOM 901 NE ARG A 58 5.391 16.457 -6.853 1.00 3.03 N ATOM 902 CZ ARG A 58 6.298 17.342 -6.414 1.00 4.18 C ATOM 903 NH1 ARG A 58 5.925 18.590 -6.126 1.00 4.17 N ATOM 904 NH2 ARG A 58 7.574 16.982 -6.261 1.00 5.73 N ATOM 0 H ARG A 58 4.353 9.984 -5.957 1.00 1.89 H new ATOM 0 HA ARG A 58 3.536 12.048 -5.772 1.00 1.85 H new ATOM 0 HB2 ARG A 58 5.721 12.483 -6.962 1.00 2.26 H new ATOM 0 HB3 ARG A 58 4.796 12.632 -8.443 1.00 2.26 H new ATOM 0 HG2 ARG A 58 3.603 14.557 -7.646 1.00 2.15 H new ATOM 0 HG3 ARG A 58 4.048 14.253 -5.978 1.00 2.15 H new ATOM 0 HD2 ARG A 58 6.456 14.669 -6.545 1.00 3.17 H new ATOM 0 HD3 ARG A 58 6.010 14.975 -8.212 1.00 3.17 H new ATOM 0 HE ARG A 58 4.433 16.789 -6.968 1.00 3.03 H new ATOM 0 HH11 ARG A 58 4.951 18.870 -6.240 1.00 4.17 H new ATOM 0 HH12 ARG A 58 6.614 19.264 -5.792 1.00 4.17 H new ATOM 0 HH21 ARG A 58 7.865 16.029 -6.478 1.00 5.73 H new ATOM 0 HH22 ARG A 58 8.259 17.660 -5.927 1.00 5.73 H new ATOM 918 N VAL A 59 1.380 11.062 -6.899 1.00 1.52 N ATOM 919 CA VAL A 59 -0.027 11.037 -7.270 1.00 1.42 C ATOM 920 C VAL A 59 -0.835 10.981 -5.977 1.00 1.16 C ATOM 921 O VAL A 59 -0.425 10.325 -5.021 1.00 1.06 O ATOM 922 CB VAL A 59 -0.300 9.811 -8.164 1.00 1.46 C ATOM 923 CG1 VAL A 59 -1.784 9.428 -8.233 1.00 1.31 C ATOM 924 CG2 VAL A 59 0.193 10.081 -9.587 1.00 1.99 C ATOM 0 H VAL A 59 1.598 10.407 -6.149 1.00 1.52 H new ATOM 0 HA VAL A 59 -0.310 11.923 -7.838 1.00 1.42 H new ATOM 0 HB VAL A 59 0.239 8.980 -7.709 1.00 1.46 H new ATOM 0 HG11 VAL A 59 -1.906 8.558 -8.878 1.00 1.31 H new ATOM 0 HG12 VAL A 59 -2.146 9.191 -7.232 1.00 1.31 H new ATOM 0 HG13 VAL A 59 -2.357 10.263 -8.637 1.00 1.31 H new ATOM 0 HG21 VAL A 59 -0.004 9.210 -10.212 1.00 1.99 H new ATOM 0 HG22 VAL A 59 -0.330 10.946 -9.995 1.00 1.99 H new ATOM 0 HG23 VAL A 59 1.265 10.280 -9.569 1.00 1.99 H new ATOM 934 N ASP A 60 -1.975 11.664 -5.941 1.00 1.13 N ATOM 935 CA ASP A 60 -2.909 11.630 -4.830 1.00 0.93 C ATOM 936 C ASP A 60 -3.562 10.243 -4.747 1.00 0.95 C ATOM 937 O ASP A 60 -4.134 9.759 -5.719 1.00 1.06 O ATOM 938 CB ASP A 60 -3.983 12.705 -5.054 1.00 1.04 C ATOM 939 CG ASP A 60 -3.425 14.115 -4.867 1.00 1.44 C ATOM 940 OD1 ASP A 60 -3.844 14.779 -3.894 1.00 2.14 O ATOM 941 OD2 ASP A 60 -2.582 14.496 -5.710 1.00 2.55 O ATOM 0 H ASP A 60 -2.279 12.270 -6.704 1.00 1.13 H new ATOM 0 HA ASP A 60 -2.384 11.826 -3.895 1.00 0.93 H new ATOM 0 HB2 ASP A 60 -4.391 12.606 -6.060 1.00 1.04 H new ATOM 0 HB3 ASP A 60 -4.807 12.545 -4.359 1.00 1.04 H new ATOM 946 N ILE A 61 -3.479 9.587 -3.587 1.00 0.85 N ATOM 947 CA ILE A 61 -4.049 8.264 -3.358 1.00 0.79 C ATOM 948 C ILE A 61 -5.574 8.316 -3.264 1.00 0.89 C ATOM 949 O ILE A 61 -6.262 7.344 -3.569 1.00 1.00 O ATOM 950 CB ILE A 61 -3.493 7.700 -2.037 1.00 0.66 C ATOM 951 CG1 ILE A 61 -1.969 7.773 -1.923 1.00 0.85 C ATOM 952 CG2 ILE A 61 -3.916 6.245 -1.867 1.00 0.66 C ATOM 953 CD1 ILE A 61 -1.297 7.238 -3.172 1.00 1.07 C ATOM 0 H ILE A 61 -3.005 9.970 -2.769 1.00 0.85 H new ATOM 0 HA ILE A 61 -3.777 7.628 -4.201 1.00 0.79 H new ATOM 0 HB ILE A 61 -3.911 8.331 -1.253 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -1.664 8.806 -1.757 1.00 0.85 H new ATOM 0 HG13 ILE A 61 -1.639 7.200 -1.056 1.00 0.85 H new ATOM 0 HG21 ILE A 61 -3.517 5.857 -0.930 1.00 0.66 H new ATOM 0 HG22 ILE A 61 -5.004 6.182 -1.852 1.00 0.66 H new ATOM 0 HG23 ILE A 61 -3.530 5.654 -2.698 1.00 0.66 H new ATOM 0 HD11 ILE A 61 -0.215 7.304 -3.059 1.00 1.07 H new ATOM 0 HD12 ILE A 61 -1.584 6.197 -3.322 1.00 1.07 H new ATOM 0 HD13 ILE A 61 -1.609 7.828 -4.034 1.00 1.07 H new ATOM 965 N GLU A 62 -6.081 9.434 -2.756 1.00 0.95 N ATOM 966 CA GLU A 62 -7.460 9.652 -2.357 1.00 1.07 C ATOM 967 C GLU A 62 -7.954 10.817 -3.212 1.00 1.72 C ATOM 968 O GLU A 62 -7.146 11.641 -3.635 1.00 2.55 O ATOM 969 CB GLU A 62 -7.470 9.985 -0.856 1.00 1.78 C ATOM 970 CG GLU A 62 -8.843 10.002 -0.180 1.00 2.05 C ATOM 971 CD GLU A 62 -8.738 10.595 1.234 1.00 3.16 C ATOM 972 OE1 GLU A 62 -8.471 11.816 1.345 1.00 3.80 O ATOM 973 OE2 GLU A 62 -8.906 9.823 2.202 1.00 4.27 O ATOM 0 H GLU A 62 -5.502 10.260 -2.604 1.00 0.95 H new ATOM 0 HA GLU A 62 -8.106 8.787 -2.505 1.00 1.07 H new ATOM 0 HB2 GLU A 62 -6.842 9.259 -0.339 1.00 1.78 H new ATOM 0 HB3 GLU A 62 -7.007 10.962 -0.718 1.00 1.78 H new ATOM 0 HG2 GLU A 62 -9.541 10.589 -0.776 1.00 2.05 H new ATOM 0 HG3 GLU A 62 -9.242 8.989 -0.127 1.00 2.05 H new ATOM 980 N ALA A 63 -9.252 10.893 -3.499 1.00 2.31 N ATOM 981 CA ALA A 63 -9.796 11.898 -4.393 1.00 3.48 C ATOM 982 C ALA A 63 -11.159 12.309 -3.855 1.00 3.94 C ATOM 983 O ALA A 63 -11.607 11.786 -2.834 1.00 4.18 O ATOM 984 CB ALA A 63 -9.892 11.321 -5.811 1.00 4.37 C ATOM 0 H ALA A 63 -9.951 10.257 -3.116 1.00 2.31 H new ATOM 0 HA ALA A 63 -9.154 12.777 -4.443 1.00 3.48 H new ATOM 0 HB1 ALA A 63 -10.301 12.075 -6.484 1.00 4.37 H new ATOM 0 HB2 ALA A 63 -8.899 11.029 -6.153 1.00 4.37 H new ATOM 0 HB3 ALA A 63 -10.545 10.448 -5.805 1.00 4.37 H new ATOM 990 N GLN A 64 -11.834 13.226 -4.541 1.00 4.73 N ATOM 991 CA GLN A 64 -13.128 13.718 -4.119 1.00 5.35 C ATOM 992 C GLN A 64 -14.012 13.808 -5.354 1.00 6.89 C ATOM 993 O GLN A 64 -13.518 14.113 -6.437 1.00 8.12 O ATOM 994 CB GLN A 64 -12.964 15.090 -3.444 1.00 6.43 C ATOM 995 CG GLN A 64 -13.494 15.058 -2.008 1.00 6.66 C ATOM 996 CD GLN A 64 -13.387 16.428 -1.340 1.00 8.36 C ATOM 997 OE1 GLN A 64 -12.483 17.204 -1.618 1.00 9.56 O ATOM 998 NE2 GLN A 64 -14.313 16.758 -0.449 1.00 8.96 N ATOM 0 H GLN A 64 -11.493 13.646 -5.406 1.00 4.73 H new ATOM 0 HA GLN A 64 -13.587 13.049 -3.392 1.00 5.35 H new ATOM 0 HB2 GLN A 64 -11.912 15.375 -3.442 1.00 6.43 H new ATOM 0 HB3 GLN A 64 -13.499 15.848 -4.017 1.00 6.43 H new ATOM 0 HG2 GLN A 64 -14.535 14.734 -2.010 1.00 6.66 H new ATOM 0 HG3 GLN A 64 -12.933 14.325 -1.428 1.00 6.66 H new ATOM 0 HE21 GLN A 64 -15.062 16.103 -0.225 1.00 8.96 H new ATOM 0 HE22 GLN A 64 -14.276 17.667 0.012 1.00 8.96 H new ATOM 1007 N LEU A 65 -15.310 13.539 -5.200 1.00 7.38 N ATOM 1008 CA LEU A 65 -16.248 13.582 -6.313 1.00 9.27 C ATOM 1009 C LEU A 65 -17.613 14.042 -5.785 1.00 9.89 C ATOM 1010 O LEU A 65 -18.578 13.282 -5.791 1.00 10.48 O ATOM 1011 CB LEU A 65 -16.254 12.190 -6.980 1.00 10.07 C ATOM 1012 CG LEU A 65 -16.581 12.232 -8.482 1.00 12.02 C ATOM 1013 CD1 LEU A 65 -15.759 11.159 -9.207 1.00 12.54 C ATOM 1014 CD2 LEU A 65 -18.064 11.982 -8.760 1.00 13.38 C ATOM 0 H LEU A 65 -15.733 13.288 -4.307 1.00 7.38 H new ATOM 0 HA LEU A 65 -15.964 14.300 -7.082 1.00 9.27 H new ATOM 0 HB2 LEU A 65 -15.278 11.725 -6.841 1.00 10.07 H new ATOM 0 HB3 LEU A 65 -16.983 11.557 -6.475 1.00 10.07 H new ATOM 0 HG LEU A 65 -16.333 13.230 -8.843 1.00 12.02 H new ATOM 0 HD11 LEU A 65 -15.987 11.184 -10.273 1.00 12.54 H new ATOM 0 HD12 LEU A 65 -14.697 11.352 -9.058 1.00 12.54 H new ATOM 0 HD13 LEU A 65 -16.008 10.177 -8.806 1.00 12.54 H new ATOM 0 HD21 LEU A 65 -18.245 12.022 -9.834 1.00 13.38 H new ATOM 0 HD22 LEU A 65 -18.345 10.999 -8.381 1.00 13.38 H new ATOM 0 HD23 LEU A 65 -18.661 12.747 -8.263 1.00 13.38 H new ATOM 1026 N PRO A 66 -17.698 15.273 -5.257 1.00 10.11 N ATOM 1027 CA PRO A 66 -18.902 15.772 -4.613 1.00 10.86 C ATOM 1028 C PRO A 66 -19.973 16.055 -5.665 1.00 12.58 C ATOM 1029 O PRO A 66 -19.758 16.872 -6.558 1.00 13.49 O ATOM 1030 CB PRO A 66 -18.462 17.049 -3.889 1.00 10.95 C ATOM 1031 CG PRO A 66 -17.289 17.553 -4.731 1.00 11.11 C ATOM 1032 CD PRO A 66 -16.630 16.257 -5.198 1.00 10.08 C ATOM 0 HA PRO A 66 -19.340 15.058 -3.916 1.00 10.86 H new ATOM 0 HB2 PRO A 66 -19.267 17.782 -3.844 1.00 10.95 H new ATOM 0 HB3 PRO A 66 -18.160 16.844 -2.862 1.00 10.95 H new ATOM 0 HG2 PRO A 66 -17.625 18.162 -5.570 1.00 11.11 H new ATOM 0 HG3 PRO A 66 -16.605 18.167 -4.146 1.00 11.11 H new ATOM 0 HD2 PRO A 66 -16.161 16.385 -6.174 1.00 10.08 H new ATOM 0 HD3 PRO A 66 -15.847 15.944 -4.507 1.00 10.08 H new ATOM 1040 N SER A 67 -21.126 15.390 -5.576 1.00 13.40 N ATOM 1041 CA SER A 67 -22.183 15.565 -6.563 1.00 15.31 C ATOM 1042 C SER A 67 -23.535 15.150 -5.977 1.00 15.98 C ATOM 1043 O SER A 67 -24.254 14.362 -6.589 1.00 16.81 O ATOM 1044 CB SER A 67 -21.817 14.745 -7.810 1.00 16.34 C ATOM 1045 OG SER A 67 -22.765 14.923 -8.844 1.00 17.96 O ATOM 0 H SER A 67 -21.348 14.728 -4.832 1.00 13.40 H new ATOM 0 HA SER A 67 -22.274 16.614 -6.845 1.00 15.31 H new ATOM 0 HB2 SER A 67 -20.830 15.042 -8.165 1.00 16.34 H new ATOM 0 HB3 SER A 67 -21.757 13.689 -7.548 1.00 16.34 H new ATOM 0 HG SER A 67 -23.653 14.661 -8.523 1.00 17.96 H new ATOM 1051 N GLU A 68 -23.906 15.700 -4.818 1.00 15.93 N ATOM 1052 CA GLU A 68 -25.221 15.469 -4.227 1.00 16.91 C ATOM 1053 C GLU A 68 -25.776 16.794 -3.713 1.00 17.82 C ATOM 1054 O GLU A 68 -26.639 17.396 -4.350 1.00 19.20 O ATOM 1055 CB GLU A 68 -25.157 14.413 -3.113 1.00 16.27 C ATOM 1056 CG GLU A 68 -24.932 13.006 -3.678 1.00 16.87 C ATOM 1057 CD GLU A 68 -25.013 11.952 -2.574 1.00 16.92 C ATOM 1058 OE1 GLU A 68 -26.153 11.634 -2.169 1.00 17.85 O ATOM 1059 OE2 GLU A 68 -23.934 11.480 -2.149 1.00 16.30 O ATOM 0 H GLU A 68 -23.305 16.314 -4.268 1.00 15.93 H new ATOM 0 HA GLU A 68 -25.893 15.075 -4.990 1.00 16.91 H new ATOM 0 HB2 GLU A 68 -24.351 14.661 -2.422 1.00 16.27 H new ATOM 0 HB3 GLU A 68 -26.084 14.431 -2.540 1.00 16.27 H new ATOM 0 HG2 GLU A 68 -25.679 12.794 -4.443 1.00 16.87 H new ATOM 0 HG3 GLU A 68 -23.957 12.956 -4.162 1.00 16.87 H new ATOM 1066 N SER A 69 -25.291 17.263 -2.565 1.00 17.22 N ATOM 1067 CA SER A 69 -25.580 18.571 -1.992 1.00 18.09 C ATOM 1068 C SER A 69 -24.384 18.975 -1.135 1.00 17.39 C ATOM 1069 O SER A 69 -23.427 18.169 -1.087 1.00 16.46 O ATOM 1070 CB SER A 69 -26.844 18.515 -1.131 1.00 18.85 C ATOM 1071 OG SER A 69 -27.982 18.247 -1.928 1.00 20.35 O ATOM 1072 OXT SER A 69 -24.459 20.070 -0.542 1.00 17.98 O ATOM 0 H SER A 69 -24.657 16.714 -1.984 1.00 17.22 H new ATOM 0 HA SER A 69 -25.750 19.298 -2.786 1.00 18.09 H new ATOM 0 HB2 SER A 69 -26.737 17.742 -0.370 1.00 18.85 H new ATOM 0 HB3 SER A 69 -26.976 19.462 -0.608 1.00 18.85 H new ATOM 0 HG SER A 69 -27.702 18.079 -2.852 1.00 20.35 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 1.193 -3.851 6.576 1.00 0.90 ZN HETATM 1080 ZN ZN A 102 2.222 4.552 -6.675 1.00 0.89 ZN