USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 150:sc= -2.41 (180deg=-4.87!) USER MOD Single : A 1 MET N :NH3+ 173:sc= -3.36 (180deg=-3.54) USER MOD Single : A 2 GLN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.141 (180deg=-0.681) USER MOD Single : A 5 ASN : amide:sc= -2.18 X(o=-2.2,f=-2.5) USER MOD Single : A 8 ASN : amide:sc= -2.48 K(o=-2.5,f=-5.8!) USER MOD Single : A 9 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.12) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0.113 (180deg=-0.99) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00503 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.75!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= -3.32! (180deg=-5.13!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00488) USER MOD Single : A 50 THR OG1 : rot -31:sc= 0.694 USER MOD Single : A 53 GLN : amide:sc= -0.811 K(o=-0.81,f=-3.3!) USER MOD Single : A 55 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 2.995 1.218 -1.332 1.00 1.00 C ATOM 4 O MET A 1 4.001 1.191 -2.038 1.00 1.00 O ATOM 5 CB MET A 1 1.100 0.011 -2.426 1.00 1.00 C ATOM 6 CG MET A 1 0.140 1.199 -2.334 1.00 1.00 C ATOM 7 SD MET A 1 -1.518 0.622 -2.013 1.00 1.00 S ATOM 8 CE MET A 1 -1.546 0.738 -0.232 1.00 1.00 C ATOM 0 H1 MET A 1 0.623 -0.768 -0.017 1.00 1.00 H new ATOM 0 H2 MET A 1 1.977 -0.144 0.797 1.00 1.00 H new ATOM 0 H3 MET A 1 0.838 0.912 0.112 1.00 1.00 H new ATOM 0 HA MET A 1 2.687 -0.900 -1.277 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.658 0.061 -3.361 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.532 -0.919 -2.443 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.459 1.874 -1.540 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.162 1.768 -3.264 1.00 1.00 H new ATOM 0 HE1 MET A 1 -2.563 0.941 0.103 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.203 -0.202 0.199 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.889 1.546 0.090 1.00 1.00 H new ATOM 18 N GLN A 2 2.618 2.258 -0.602 1.00 1.00 N ATOM 19 CA GLN A 2 3.397 3.484 -0.587 1.00 1.00 C ATOM 20 C GLN A 2 2.841 4.454 0.457 1.00 1.00 C ATOM 21 O GLN A 2 2.470 5.580 0.128 1.00 1.00 O ATOM 22 CB GLN A 2 3.430 4.130 -1.973 1.00 1.00 C ATOM 23 CG GLN A 2 2.016 4.451 -2.462 1.00 1.00 C ATOM 24 CD GLN A 2 2.022 5.652 -3.410 1.00 1.00 C ATOM 25 OE1 GLN A 2 1.796 5.536 -4.603 1.00 1.00 O ATOM 26 NE2 GLN A 2 2.293 6.810 -2.813 1.00 1.00 N ATOM 0 H GLN A 2 1.783 2.276 -0.017 1.00 1.00 H new ATOM 0 HA GLN A 2 4.423 3.236 -0.314 1.00 1.00 H new ATOM 0 HB2 GLN A 2 4.023 5.044 -1.938 1.00 1.00 H new ATOM 0 HB3 GLN A 2 3.919 3.459 -2.679 1.00 1.00 H new ATOM 0 HG2 GLN A 2 1.598 3.583 -2.972 1.00 1.00 H new ATOM 0 HG3 GLN A 2 1.371 4.660 -1.609 1.00 1.00 H new ATOM 0 HE21 GLN A 2 2.473 6.837 -1.809 1.00 1.00 H new ATOM 0 HE22 GLN A 2 2.321 7.671 -3.359 1.00 1.00 H new ATOM 35 N LYS A 3 2.802 3.983 1.695 1.00 1.00 N ATOM 36 CA LYS A 3 2.298 4.794 2.789 1.00 1.00 C ATOM 37 C LYS A 3 3.216 6.002 2.988 1.00 1.00 C ATOM 38 O LYS A 3 4.314 6.049 2.436 1.00 1.00 O ATOM 39 CB LYS A 3 2.119 3.944 4.049 1.00 1.00 C ATOM 40 CG LYS A 3 0.729 3.306 4.087 1.00 1.00 C ATOM 41 CD LYS A 3 0.662 2.082 3.171 1.00 1.00 C ATOM 42 CE LYS A 3 1.152 0.827 3.896 1.00 1.00 C ATOM 43 NZ LYS A 3 0.240 0.483 5.010 1.00 1.00 N ATOM 0 H LYS A 3 3.112 3.049 1.964 1.00 1.00 H new ATOM 0 HA LYS A 3 1.307 5.181 2.550 1.00 1.00 H new ATOM 0 HB2 LYS A 3 2.881 3.165 4.078 1.00 1.00 H new ATOM 0 HB3 LYS A 3 2.263 4.564 4.934 1.00 1.00 H new ATOM 0 HG2 LYS A 3 0.487 3.014 5.109 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.019 4.037 3.779 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.363 1.933 2.831 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.270 2.254 2.283 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.210 -0.006 3.195 1.00 1.00 H new ATOM 0 HE3 LYS A 3 2.159 0.991 4.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.323 -0.531 5.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.495 1.038 5.852 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -0.740 0.700 4.736 1.00 1.00 H new ATOM 56 N GLY A 4 2.731 6.949 3.778 1.00 1.00 N ATOM 57 CA GLY A 4 3.495 8.154 4.056 1.00 1.00 C ATOM 58 C GLY A 4 4.915 7.811 4.510 1.00 1.00 C ATOM 59 O GLY A 4 5.274 6.638 4.604 1.00 1.00 O ATOM 0 H GLY A 4 1.820 6.907 4.234 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.536 8.777 3.163 1.00 1.00 H new ATOM 0 HA3 GLY A 4 2.993 8.737 4.829 1.00 1.00 H new ATOM 63 N ASN A 5 5.684 8.855 4.780 1.00 1.00 N ATOM 64 CA ASN A 5 7.057 8.679 5.222 1.00 1.00 C ATOM 65 C ASN A 5 7.608 10.021 5.708 1.00 1.00 C ATOM 66 O ASN A 5 8.141 10.114 6.812 1.00 1.00 O ATOM 67 CB ASN A 5 7.946 8.190 4.076 1.00 1.00 C ATOM 68 CG ASN A 5 7.689 8.994 2.801 1.00 1.00 C ATOM 69 OD1 ASN A 5 8.360 9.969 2.505 1.00 1.00 O ATOM 70 ND2 ASN A 5 6.682 8.533 2.064 1.00 1.00 N ATOM 0 H ASN A 5 5.383 9.826 4.701 1.00 1.00 H new ATOM 0 HA ASN A 5 7.061 7.940 6.023 1.00 1.00 H new ATOM 0 HB2 ASN A 5 8.994 8.279 4.361 1.00 1.00 H new ATOM 0 HB3 ASN A 5 7.755 7.133 3.888 1.00 1.00 H new ATOM 0 HD21 ASN A 5 6.431 9.001 1.193 1.00 1.00 H new ATOM 0 HD22 ASN A 5 6.161 7.711 2.370 1.00 1.00 H new ATOM 77 N PHE A 6 7.461 11.027 4.858 1.00 1.00 N ATOM 78 CA PHE A 6 7.937 12.360 5.187 1.00 1.00 C ATOM 79 C PHE A 6 7.344 13.404 4.239 1.00 1.00 C ATOM 80 O PHE A 6 6.820 13.060 3.181 1.00 1.00 O ATOM 81 CB PHE A 6 9.458 12.345 5.023 1.00 1.00 C ATOM 82 CG PHE A 6 10.209 13.125 6.104 1.00 1.00 C ATOM 83 CD1 PHE A 6 10.280 14.481 6.038 1.00 1.00 C ATOM 84 CD2 PHE A 6 10.806 12.461 7.130 1.00 1.00 C ATOM 85 CE1 PHE A 6 10.977 15.205 7.042 1.00 1.00 C ATOM 86 CE2 PHE A 6 11.503 13.185 8.134 1.00 1.00 C ATOM 87 CZ PHE A 6 11.574 14.542 8.068 1.00 1.00 C ATOM 0 H PHE A 6 7.019 10.946 3.942 1.00 1.00 H new ATOM 0 HA PHE A 6 7.640 12.621 6.203 1.00 1.00 H new ATOM 0 HB2 PHE A 6 9.803 11.311 5.029 1.00 1.00 H new ATOM 0 HB3 PHE A 6 9.712 12.760 4.048 1.00 1.00 H new ATOM 0 HD1 PHE A 6 9.807 15.008 5.223 1.00 1.00 H new ATOM 0 HD2 PHE A 6 10.750 11.384 7.181 1.00 1.00 H new ATOM 0 HE1 PHE A 6 11.033 16.282 6.990 1.00 1.00 H new ATOM 0 HE2 PHE A 6 11.976 12.658 8.949 1.00 1.00 H new ATOM 0 HZ PHE A 6 12.105 15.093 8.831 1.00 1.00 H new ATOM 97 N ARG A 7 7.446 14.658 4.653 1.00 1.00 N ATOM 98 CA ARG A 7 6.926 15.755 3.854 1.00 1.00 C ATOM 99 C ARG A 7 5.582 15.368 3.233 1.00 1.00 C ATOM 100 O ARG A 7 4.928 14.433 3.693 1.00 1.00 O ATOM 101 CB ARG A 7 7.903 16.137 2.740 1.00 1.00 C ATOM 102 CG ARG A 7 7.935 15.066 1.648 1.00 1.00 C ATOM 103 CD ARG A 7 8.763 15.531 0.448 1.00 1.00 C ATOM 104 NE ARG A 7 7.884 15.738 -0.724 1.00 1.00 N ATOM 105 CZ ARG A 7 7.563 14.770 -1.609 1.00 1.00 C ATOM 106 NH1 ARG A 7 8.048 13.519 -1.462 1.00 1.00 N ATOM 107 NH2 ARG A 7 6.769 15.066 -2.621 1.00 1.00 N ATOM 0 H ARG A 7 7.881 14.939 5.532 1.00 1.00 H new ATOM 0 HA ARG A 7 6.793 16.612 4.514 1.00 1.00 H new ATOM 0 HB2 ARG A 7 7.611 17.094 2.307 1.00 1.00 H new ATOM 0 HB3 ARG A 7 8.902 16.267 3.156 1.00 1.00 H new ATOM 0 HG2 ARG A 7 8.356 14.144 2.050 1.00 1.00 H new ATOM 0 HG3 ARG A 7 6.919 14.839 1.327 1.00 1.00 H new ATOM 0 HD2 ARG A 7 9.282 16.458 0.691 1.00 1.00 H new ATOM 0 HD3 ARG A 7 9.527 14.790 0.214 1.00 1.00 H new ATOM 0 HE ARG A 7 7.496 16.670 -0.873 1.00 1.00 H new ATOM 0 HH11 ARG A 7 8.662 13.299 -0.678 1.00 1.00 H new ATOM 0 HH12 ARG A 7 7.800 12.794 -2.135 1.00 1.00 H new ATOM 0 HH21 ARG A 7 6.408 16.014 -2.725 1.00 1.00 H new ATOM 0 HH22 ARG A 7 6.517 14.347 -3.299 1.00 1.00 H new ATOM 120 N ASN A 8 5.210 16.107 2.198 1.00 1.00 N ATOM 121 CA ASN A 8 3.956 15.854 1.510 1.00 1.00 C ATOM 122 C ASN A 8 3.905 16.686 0.227 1.00 1.00 C ATOM 123 O ASN A 8 3.780 16.139 -0.867 1.00 1.00 O ATOM 124 CB ASN A 8 2.760 16.251 2.378 1.00 1.00 C ATOM 125 CG ASN A 8 2.285 15.071 3.229 1.00 1.00 C ATOM 126 OD1 ASN A 8 2.674 13.932 3.030 1.00 1.00 O ATOM 127 ND2 ASN A 8 1.424 15.407 4.186 1.00 1.00 N ATOM 0 H ASN A 8 5.755 16.881 1.819 1.00 1.00 H new ATOM 0 HA ASN A 8 3.903 14.788 1.289 1.00 1.00 H new ATOM 0 HB2 ASN A 8 3.036 17.083 3.026 1.00 1.00 H new ATOM 0 HB3 ASN A 8 1.945 16.598 1.743 1.00 1.00 H new ATOM 0 HD21 ASN A 8 1.048 14.691 4.808 1.00 1.00 H new ATOM 0 HD22 ASN A 8 1.140 16.380 4.298 1.00 1.00 H new ATOM 134 N GLN A 9 4.006 17.995 0.405 1.00 1.00 N ATOM 135 CA GLN A 9 3.974 18.909 -0.725 1.00 1.00 C ATOM 136 C GLN A 9 4.943 18.442 -1.812 1.00 1.00 C ATOM 137 O GLN A 9 6.149 18.365 -1.583 1.00 1.00 O ATOM 138 CB GLN A 9 4.293 20.338 -0.283 1.00 1.00 C ATOM 139 CG GLN A 9 3.960 21.341 -1.390 1.00 1.00 C ATOM 140 CD GLN A 9 2.447 21.459 -1.586 1.00 1.00 C ATOM 141 OE1 GLN A 9 1.707 21.841 -0.694 1.00 1.00 O ATOM 142 NE2 GLN A 9 2.030 21.110 -2.799 1.00 1.00 N ATOM 0 H GLN A 9 4.110 18.445 1.315 1.00 1.00 H new ATOM 0 HA GLN A 9 2.966 18.909 -1.140 1.00 1.00 H new ATOM 0 HB2 GLN A 9 3.725 20.580 0.615 1.00 1.00 H new ATOM 0 HB3 GLN A 9 5.349 20.415 -0.023 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.375 22.317 -1.138 1.00 1.00 H new ATOM 0 HG3 GLN A 9 4.428 21.027 -2.323 1.00 1.00 H new ATOM 0 HE21 GLN A 9 2.703 20.799 -3.500 1.00 1.00 H new ATOM 0 HE22 GLN A 9 1.037 21.153 -3.029 1.00 1.00 H new ATOM 151 N ARG A 10 4.380 18.142 -2.974 1.00 1.00 N ATOM 152 CA ARG A 10 5.179 17.685 -4.097 1.00 1.00 C ATOM 153 C ARG A 10 6.274 18.704 -4.419 1.00 1.00 C ATOM 154 O ARG A 10 7.460 18.380 -4.378 1.00 1.00 O ATOM 155 CB ARG A 10 4.312 17.470 -5.339 1.00 1.00 C ATOM 156 CG ARG A 10 3.314 16.331 -5.120 1.00 1.00 C ATOM 157 CD ARG A 10 3.516 15.220 -6.153 1.00 1.00 C ATOM 158 NE ARG A 10 4.304 14.116 -5.561 1.00 1.00 N ATOM 159 CZ ARG A 10 3.773 13.119 -4.822 1.00 1.00 C ATOM 160 NH1 ARG A 10 2.446 13.079 -4.576 1.00 1.00 N ATOM 161 NH2 ARG A 10 4.571 12.183 -4.342 1.00 1.00 N ATOM 0 H ARG A 10 3.379 18.207 -3.161 1.00 1.00 H new ATOM 0 HA ARG A 10 5.633 16.735 -3.816 1.00 1.00 H new ATOM 0 HB2 ARG A 10 3.775 18.389 -5.576 1.00 1.00 H new ATOM 0 HB3 ARG A 10 4.947 17.242 -6.195 1.00 1.00 H new ATOM 0 HG2 ARG A 10 3.434 15.925 -4.116 1.00 1.00 H new ATOM 0 HG3 ARG A 10 2.296 16.716 -5.188 1.00 1.00 H new ATOM 0 HD2 ARG A 10 2.549 14.847 -6.492 1.00 1.00 H new ATOM 0 HD3 ARG A 10 4.030 15.616 -7.029 1.00 1.00 H new ATOM 0 HE ARG A 10 5.311 14.108 -5.721 1.00 1.00 H new ATOM 0 HH11 ARG A 10 1.836 13.806 -4.950 1.00 1.00 H new ATOM 0 HH12 ARG A 10 2.054 12.322 -4.017 1.00 1.00 H new ATOM 0 HH21 ARG A 10 5.573 12.220 -4.531 1.00 1.00 H new ATOM 0 HH22 ARG A 10 4.186 11.423 -3.782 1.00 1.00 H new ATOM 174 N LYS A 11 5.838 19.915 -4.733 1.00 1.00 N ATOM 175 CA LYS A 11 6.766 20.983 -5.061 1.00 1.00 C ATOM 176 C LYS A 11 7.375 21.538 -3.772 1.00 1.00 C ATOM 177 O LYS A 11 7.003 21.122 -2.676 1.00 1.00 O ATOM 178 CB LYS A 11 6.079 22.044 -5.923 1.00 1.00 C ATOM 179 CG LYS A 11 5.117 22.891 -5.087 1.00 1.00 C ATOM 180 CD LYS A 11 5.441 24.380 -5.219 1.00 1.00 C ATOM 181 CE LYS A 11 4.272 25.241 -4.735 1.00 1.00 C ATOM 182 NZ LYS A 11 4.654 26.001 -3.524 1.00 1.00 N ATOM 0 H LYS A 11 4.854 20.180 -4.767 1.00 1.00 H new ATOM 0 HA LYS A 11 7.589 20.600 -5.664 1.00 1.00 H new ATOM 0 HB2 LYS A 11 6.830 22.687 -6.382 1.00 1.00 H new ATOM 0 HB3 LYS A 11 5.534 21.561 -6.734 1.00 1.00 H new ATOM 0 HG2 LYS A 11 4.092 22.708 -5.409 1.00 1.00 H new ATOM 0 HG3 LYS A 11 5.180 22.593 -4.040 1.00 1.00 H new ATOM 0 HD2 LYS A 11 6.334 24.614 -4.640 1.00 1.00 H new ATOM 0 HD3 LYS A 11 5.665 24.616 -6.259 1.00 1.00 H new ATOM 0 HE2 LYS A 11 3.969 25.930 -5.523 1.00 1.00 H new ATOM 0 HE3 LYS A 11 3.412 24.608 -4.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 3.930 25.870 -2.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 5.570 25.657 -3.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 4.731 27.011 -3.758 1.00 1.00 H new ATOM 195 N THR A 12 8.302 22.469 -3.946 1.00 1.00 N ATOM 196 CA THR A 12 8.967 23.085 -2.810 1.00 1.00 C ATOM 197 C THR A 12 7.943 23.765 -1.898 1.00 1.00 C ATOM 198 O THR A 12 6.919 24.258 -2.368 1.00 1.00 O ATOM 199 CB THR A 12 10.032 24.042 -3.348 1.00 1.00 C ATOM 200 OG1 THR A 12 10.563 24.662 -2.180 1.00 1.00 O ATOM 201 CG2 THR A 12 9.430 25.202 -4.144 1.00 1.00 C ATOM 0 H THR A 12 8.608 22.812 -4.857 1.00 1.00 H new ATOM 0 HA THR A 12 9.464 22.339 -2.189 1.00 1.00 H new ATOM 0 HB THR A 12 10.728 23.491 -3.980 1.00 1.00 H new ATOM 0 HG1 THR A 12 11.263 25.298 -2.437 1.00 1.00 H new ATOM 0 HG21 THR A 12 10.229 25.851 -4.503 1.00 1.00 H new ATOM 0 HG22 THR A 12 8.872 24.809 -4.994 1.00 1.00 H new ATOM 0 HG23 THR A 12 8.759 25.774 -3.503 1.00 1.00 H new ATOM 209 N VAL A 13 8.257 23.771 -0.611 1.00 1.00 N ATOM 210 CA VAL A 13 7.377 24.382 0.371 1.00 1.00 C ATOM 211 C VAL A 13 7.956 25.734 0.795 1.00 1.00 C ATOM 212 O VAL A 13 9.122 26.024 0.533 1.00 1.00 O ATOM 213 CB VAL A 13 7.162 23.428 1.547 1.00 1.00 C ATOM 214 CG1 VAL A 13 6.756 22.037 1.057 1.00 1.00 C ATOM 215 CG2 VAL A 13 8.410 23.356 2.430 1.00 1.00 C ATOM 0 H VAL A 13 9.108 23.363 -0.225 1.00 1.00 H new ATOM 0 HA VAL A 13 6.394 24.570 -0.061 1.00 1.00 H new ATOM 0 HB VAL A 13 6.346 23.821 2.153 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.609 21.378 1.913 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.828 22.108 0.490 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.541 21.633 0.418 1.00 1.00 H new ATOM 0 HG21 VAL A 13 8.230 22.671 3.259 1.00 1.00 H new ATOM 0 HG22 VAL A 13 9.253 22.998 1.839 1.00 1.00 H new ATOM 0 HG23 VAL A 13 8.636 24.348 2.822 1.00 1.00 H new ATOM 225 N LYS A 14 7.114 26.524 1.444 1.00 1.00 N ATOM 226 CA LYS A 14 7.527 27.838 1.908 1.00 1.00 C ATOM 227 C LYS A 14 7.220 27.967 3.401 1.00 1.00 C ATOM 228 O LYS A 14 6.096 27.714 3.832 1.00 1.00 O ATOM 229 CB LYS A 14 6.887 28.934 1.052 1.00 1.00 C ATOM 230 CG LYS A 14 5.385 28.697 0.891 1.00 1.00 C ATOM 231 CD LYS A 14 5.089 27.889 -0.375 1.00 1.00 C ATOM 232 CE LYS A 14 3.630 28.056 -0.804 1.00 1.00 C ATOM 233 NZ LYS A 14 2.728 27.384 0.158 1.00 1.00 N ATOM 0 H LYS A 14 6.147 26.280 1.660 1.00 1.00 H new ATOM 0 HA LYS A 14 8.604 27.962 1.792 1.00 1.00 H new ATOM 0 HB2 LYS A 14 7.058 29.907 1.513 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.362 28.958 0.071 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.002 28.167 1.763 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.865 29.654 0.846 1.00 1.00 H new ATOM 0 HD2 LYS A 14 5.748 28.214 -1.180 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.301 26.835 -0.196 1.00 1.00 H new ATOM 0 HE2 LYS A 14 3.382 29.116 -0.866 1.00 1.00 H new ATOM 0 HE3 LYS A 14 3.487 27.637 -1.800 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 1.741 27.507 -0.147 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 2.955 26.370 0.197 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 2.853 27.803 1.102 1.00 1.00 H new ATOM 246 N CYS A 15 8.240 28.360 4.150 1.00 1.00 N ATOM 247 CA CYS A 15 8.093 28.526 5.586 1.00 1.00 C ATOM 248 C CYS A 15 7.430 29.879 5.849 1.00 1.00 C ATOM 249 O CYS A 15 8.023 30.926 5.589 1.00 1.00 O ATOM 250 CB CYS A 15 9.435 28.397 6.310 1.00 1.00 C ATOM 251 SG CYS A 15 9.200 28.635 8.109 1.00 1.00 S ATOM 0 H CYS A 15 9.171 28.568 3.789 1.00 1.00 H new ATOM 0 HA CYS A 15 7.462 27.731 5.984 1.00 1.00 H new ATOM 0 HB2 CYS A 15 9.868 27.415 6.118 1.00 1.00 H new ATOM 0 HB3 CYS A 15 10.138 29.136 5.926 1.00 1.00 H new ATOM 256 N PHE A 16 6.210 29.816 6.360 1.00 1.00 N ATOM 257 CA PHE A 16 5.460 31.023 6.661 1.00 1.00 C ATOM 258 C PHE A 16 5.800 31.546 8.058 1.00 1.00 C ATOM 259 O PHE A 16 5.119 32.430 8.577 1.00 1.00 O ATOM 260 CB PHE A 16 3.977 30.652 6.615 1.00 1.00 C ATOM 261 CG PHE A 16 3.109 31.647 5.842 1.00 1.00 C ATOM 262 CD1 PHE A 16 3.238 31.755 4.492 1.00 1.00 C ATOM 263 CD2 PHE A 16 2.210 32.424 6.504 1.00 1.00 C ATOM 264 CE1 PHE A 16 2.433 32.679 3.774 1.00 1.00 C ATOM 265 CE2 PHE A 16 1.406 33.348 5.786 1.00 1.00 C ATOM 266 CZ PHE A 16 1.534 33.456 4.436 1.00 1.00 C ATOM 0 H PHE A 16 5.721 28.947 6.574 1.00 1.00 H new ATOM 0 HA PHE A 16 5.706 31.803 5.941 1.00 1.00 H new ATOM 0 HB2 PHE A 16 3.874 29.667 6.161 1.00 1.00 H new ATOM 0 HB3 PHE A 16 3.601 30.574 7.635 1.00 1.00 H new ATOM 0 HD1 PHE A 16 3.952 31.138 3.966 1.00 1.00 H new ATOM 0 HD2 PHE A 16 2.108 32.338 7.576 1.00 1.00 H new ATOM 0 HE1 PHE A 16 2.535 32.765 2.702 1.00 1.00 H new ATOM 0 HE2 PHE A 16 0.693 33.965 6.312 1.00 1.00 H new ATOM 0 HZ PHE A 16 0.922 34.159 3.890 1.00 1.00 H new ATOM 276 N ASN A 17 6.853 30.979 8.627 1.00 1.00 N ATOM 277 CA ASN A 17 7.292 31.377 9.954 1.00 1.00 C ATOM 278 C ASN A 17 8.493 32.316 9.829 1.00 1.00 C ATOM 279 O ASN A 17 8.593 33.302 10.557 1.00 1.00 O ATOM 280 CB ASN A 17 7.725 30.163 10.778 1.00 1.00 C ATOM 281 CG ASN A 17 7.870 30.528 12.257 1.00 1.00 C ATOM 282 OD1 ASN A 17 7.892 31.687 12.638 1.00 1.00 O ATOM 283 ND2 ASN A 17 7.967 29.477 13.067 1.00 1.00 N ATOM 0 H ASN A 17 7.415 30.247 8.194 1.00 1.00 H new ATOM 0 HA ASN A 17 6.457 31.871 10.451 1.00 1.00 H new ATOM 0 HB2 ASN A 17 6.992 29.364 10.667 1.00 1.00 H new ATOM 0 HB3 ASN A 17 8.673 29.781 10.399 1.00 1.00 H new ATOM 0 HD21 ASN A 17 8.067 29.616 14.073 1.00 1.00 H new ATOM 0 HD22 ASN A 17 7.942 28.533 12.682 1.00 1.00 H new ATOM 290 N CYS A 18 9.375 31.976 8.901 1.00 1.00 N ATOM 291 CA CYS A 18 10.566 32.776 8.671 1.00 1.00 C ATOM 292 C CYS A 18 10.429 33.462 7.310 1.00 1.00 C ATOM 293 O CYS A 18 10.799 34.625 7.157 1.00 1.00 O ATOM 294 CB CYS A 18 11.840 31.934 8.760 1.00 1.00 C ATOM 295 SG CYS A 18 11.737 30.520 7.602 1.00 1.00 S ATOM 0 H CYS A 18 9.289 31.157 8.299 1.00 1.00 H new ATOM 0 HA CYS A 18 10.654 33.532 9.451 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.709 32.548 8.522 1.00 1.00 H new ATOM 0 HB3 CYS A 18 11.976 31.571 9.779 1.00 1.00 H new ATOM 300 N GLY A 19 9.896 32.712 6.357 1.00 1.00 N ATOM 301 CA GLY A 19 9.705 33.233 5.014 1.00 1.00 C ATOM 302 C GLY A 19 10.765 32.683 4.057 1.00 1.00 C ATOM 303 O GLY A 19 11.084 33.314 3.050 1.00 1.00 O ATOM 0 H GLY A 19 9.590 31.748 6.488 1.00 1.00 H new ATOM 0 HA2 GLY A 19 8.711 32.966 4.654 1.00 1.00 H new ATOM 0 HA3 GLY A 19 9.756 34.322 5.032 1.00 1.00 H new ATOM 307 N LYS A 20 11.281 31.514 4.405 1.00 1.00 N ATOM 308 CA LYS A 20 12.298 30.872 3.589 1.00 1.00 C ATOM 309 C LYS A 20 11.680 29.678 2.858 1.00 1.00 C ATOM 310 O LYS A 20 10.941 28.896 3.453 1.00 1.00 O ATOM 311 CB LYS A 20 13.516 30.508 4.440 1.00 1.00 C ATOM 312 CG LYS A 20 14.700 31.425 4.123 1.00 1.00 C ATOM 313 CD LYS A 20 15.965 30.955 4.843 1.00 1.00 C ATOM 314 CE LYS A 20 16.041 31.536 6.256 1.00 1.00 C ATOM 315 NZ LYS A 20 16.984 32.676 6.298 1.00 1.00 N ATOM 0 H LYS A 20 11.014 30.994 5.241 1.00 1.00 H new ATOM 0 HA LYS A 20 12.664 31.559 2.826 1.00 1.00 H new ATOM 0 HB2 LYS A 20 13.263 30.588 5.497 1.00 1.00 H new ATOM 0 HB3 LYS A 20 13.795 29.471 4.257 1.00 1.00 H new ATOM 0 HG2 LYS A 20 14.874 31.441 3.047 1.00 1.00 H new ATOM 0 HG3 LYS A 20 14.464 32.446 4.423 1.00 1.00 H new ATOM 0 HD2 LYS A 20 15.976 29.866 4.893 1.00 1.00 H new ATOM 0 HD3 LYS A 20 16.845 31.257 4.274 1.00 1.00 H new ATOM 0 HE2 LYS A 20 15.051 31.863 6.575 1.00 1.00 H new ATOM 0 HE3 LYS A 20 16.362 30.765 6.956 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 17.023 33.058 7.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 17.931 32.354 6.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 16.661 33.418 5.645 1.00 1.00 H new ATOM 328 N GLU A 21 12.007 29.576 1.578 1.00 1.00 N ATOM 329 CA GLU A 21 11.494 28.491 0.759 1.00 1.00 C ATOM 330 C GLU A 21 12.380 27.252 0.903 1.00 1.00 C ATOM 331 O GLU A 21 13.573 27.300 0.609 1.00 1.00 O ATOM 332 CB GLU A 21 11.381 28.916 -0.706 1.00 1.00 C ATOM 333 CG GLU A 21 12.760 29.207 -1.301 1.00 1.00 C ATOM 334 CD GLU A 21 12.770 30.551 -2.033 1.00 1.00 C ATOM 335 OE1 GLU A 21 12.868 30.584 -3.268 1.00 1.00 O ATOM 336 OE2 GLU A 21 12.671 31.587 -1.270 1.00 1.00 O ATOM 0 H GLU A 21 12.621 30.227 1.088 1.00 1.00 H new ATOM 0 HA GLU A 21 10.493 28.240 1.109 1.00 1.00 H new ATOM 0 HB2 GLU A 21 10.892 28.129 -1.280 1.00 1.00 H new ATOM 0 HB3 GLU A 21 10.753 29.804 -0.783 1.00 1.00 H new ATOM 0 HG2 GLU A 21 13.508 29.215 -0.508 1.00 1.00 H new ATOM 0 HG3 GLU A 21 13.037 28.411 -1.992 1.00 1.00 H new ATOM 344 N GLY A 22 11.762 26.171 1.356 1.00 1.00 N ATOM 345 CA GLY A 22 12.479 24.922 1.543 1.00 1.00 C ATOM 346 C GLY A 22 11.791 24.046 2.592 1.00 1.00 C ATOM 347 O GLY A 22 11.447 22.897 2.318 1.00 1.00 O ATOM 0 H GLY A 22 10.772 26.135 1.599 1.00 1.00 H new ATOM 0 HA2 GLY A 22 12.535 24.385 0.596 1.00 1.00 H new ATOM 0 HA3 GLY A 22 13.503 25.129 1.853 1.00 1.00 H new ATOM 351 N HIS A 23 11.611 24.622 3.772 1.00 1.00 N ATOM 352 CA HIS A 23 10.970 23.909 4.863 1.00 1.00 C ATOM 353 C HIS A 23 9.617 24.551 5.172 1.00 1.00 C ATOM 354 O HIS A 23 9.346 25.672 4.744 1.00 1.00 O ATOM 355 CB HIS A 23 11.889 23.846 6.085 1.00 1.00 C ATOM 356 CG HIS A 23 12.117 25.182 6.751 1.00 1.00 C ATOM 357 ND1 HIS A 23 13.133 26.044 6.376 1.00 1.00 N ATOM 358 CD2 HIS A 23 11.450 25.795 7.771 1.00 1.00 C ATOM 359 CE1 HIS A 23 13.071 27.123 7.142 1.00 1.00 C ATOM 360 NE2 HIS A 23 12.027 26.966 8.006 1.00 1.00 N ATOM 0 H HIS A 23 11.898 25.575 3.996 1.00 1.00 H new ATOM 0 HA HIS A 23 10.784 22.877 4.567 1.00 1.00 H new ATOM 0 HB2 HIS A 23 11.462 23.157 6.813 1.00 1.00 H new ATOM 0 HB3 HIS A 23 12.851 23.433 5.782 1.00 1.00 H new ATOM 0 HD1 HIS A 23 13.814 25.877 5.635 1.00 1.00 H new ATOM 0 HD2 HIS A 23 10.597 25.395 8.298 1.00 1.00 H new ATOM 0 HE1 HIS A 23 13.731 27.977 7.091 1.00 1.00 H new ATOM 368 N ILE A 24 8.803 23.814 5.913 1.00 1.00 N ATOM 369 CA ILE A 24 7.484 24.298 6.284 1.00 1.00 C ATOM 370 C ILE A 24 7.559 24.969 7.657 1.00 1.00 C ATOM 371 O ILE A 24 8.481 24.709 8.429 1.00 1.00 O ATOM 372 CB ILE A 24 6.457 23.166 6.208 1.00 1.00 C ATOM 373 CG1 ILE A 24 6.738 22.099 7.269 1.00 1.00 C ATOM 374 CG2 ILE A 24 6.398 22.572 4.800 1.00 1.00 C ATOM 375 CD1 ILE A 24 5.755 20.933 7.147 1.00 1.00 C ATOM 0 H ILE A 24 9.031 22.885 6.267 1.00 1.00 H new ATOM 0 HA ILE A 24 7.143 25.055 5.577 1.00 1.00 H new ATOM 0 HB ILE A 24 5.473 23.583 6.422 1.00 1.00 H new ATOM 0 HG12 ILE A 24 7.759 21.732 7.160 1.00 1.00 H new ATOM 0 HG13 ILE A 24 6.663 22.540 8.263 1.00 1.00 H new ATOM 0 HG21 ILE A 24 5.660 21.770 4.774 1.00 1.00 H new ATOM 0 HG22 ILE A 24 6.115 23.348 4.089 1.00 1.00 H new ATOM 0 HG23 ILE A 24 7.377 22.174 4.532 1.00 1.00 H new ATOM 0 HD11 ILE A 24 5.976 20.189 7.912 1.00 1.00 H new ATOM 0 HD12 ILE A 24 4.737 21.300 7.281 1.00 1.00 H new ATOM 0 HD13 ILE A 24 5.850 20.479 6.161 1.00 1.00 H new ATOM 387 N ALA A 25 6.578 25.820 7.918 1.00 1.00 N ATOM 388 CA ALA A 25 6.522 26.531 9.185 1.00 1.00 C ATOM 389 C ALA A 25 6.471 25.518 10.331 1.00 1.00 C ATOM 390 O ALA A 25 7.077 25.733 11.380 1.00 1.00 O ATOM 391 CB ALA A 25 5.318 27.475 9.187 1.00 1.00 C ATOM 0 H ALA A 25 5.816 26.034 7.275 1.00 1.00 H new ATOM 0 HA ALA A 25 7.415 27.141 9.324 1.00 1.00 H new ATOM 0 HB1 ALA A 25 5.275 28.008 10.137 1.00 1.00 H new ATOM 0 HB2 ALA A 25 5.417 28.192 8.372 1.00 1.00 H new ATOM 0 HB3 ALA A 25 4.403 26.898 9.054 1.00 1.00 H new ATOM 397 N LYS A 26 5.744 24.437 10.092 1.00 1.00 N ATOM 398 CA LYS A 26 5.606 23.392 11.091 1.00 1.00 C ATOM 399 C LYS A 26 6.977 22.768 11.362 1.00 1.00 C ATOM 400 O LYS A 26 7.177 22.122 12.390 1.00 1.00 O ATOM 401 CB LYS A 26 4.543 22.378 10.663 1.00 1.00 C ATOM 402 CG LYS A 26 4.128 21.490 11.838 1.00 1.00 C ATOM 403 CD LYS A 26 3.223 20.349 11.369 1.00 1.00 C ATOM 404 CE LYS A 26 4.050 19.149 10.902 1.00 1.00 C ATOM 405 NZ LYS A 26 3.297 18.357 9.904 1.00 1.00 N ATOM 0 H LYS A 26 5.244 24.262 9.220 1.00 1.00 H new ATOM 0 HA LYS A 26 5.253 23.810 12.034 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.671 22.903 10.273 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.931 21.759 9.854 1.00 1.00 H new ATOM 0 HG2 LYS A 26 5.016 21.080 12.320 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.607 22.089 12.585 1.00 1.00 H new ATOM 0 HD2 LYS A 26 2.563 20.046 12.182 1.00 1.00 H new ATOM 0 HD3 LYS A 26 2.587 20.696 10.555 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.989 19.494 10.468 1.00 1.00 H new ATOM 0 HE3 LYS A 26 4.305 18.521 11.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.873 17.547 9.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 2.413 18.012 10.330 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 3.076 18.955 9.082 1.00 1.00 H new ATOM 418 N ASN A 27 7.886 22.983 10.422 1.00 1.00 N ATOM 419 CA ASN A 27 9.232 22.450 10.546 1.00 1.00 C ATOM 420 C ASN A 27 10.236 23.604 10.531 1.00 1.00 C ATOM 421 O ASN A 27 11.363 23.444 10.066 1.00 1.00 O ATOM 422 CB ASN A 27 9.565 21.518 9.380 1.00 1.00 C ATOM 423 CG ASN A 27 10.352 20.297 9.861 1.00 1.00 C ATOM 424 OD1 ASN A 27 11.524 20.127 9.568 1.00 1.00 O ATOM 425 ND2 ASN A 27 9.644 19.459 10.613 1.00 1.00 N ATOM 0 H ASN A 27 7.717 23.519 9.571 1.00 1.00 H new ATOM 0 HA ASN A 27 9.289 21.892 11.481 1.00 1.00 H new ATOM 0 HB2 ASN A 27 8.644 21.194 8.895 1.00 1.00 H new ATOM 0 HB3 ASN A 27 10.146 22.058 8.633 1.00 1.00 H new ATOM 0 HD21 ASN A 27 10.079 18.614 10.982 1.00 1.00 H new ATOM 0 HD22 ASN A 27 8.666 19.662 10.820 1.00 1.00 H new ATOM 432 N CYS A 28 9.790 24.741 11.046 1.00 1.00 N ATOM 433 CA CYS A 28 10.636 25.921 11.098 1.00 1.00 C ATOM 434 C CYS A 28 11.605 25.767 12.271 1.00 1.00 C ATOM 435 O CYS A 28 11.189 25.769 13.429 1.00 1.00 O ATOM 436 CB CYS A 28 9.810 27.205 11.205 1.00 1.00 C ATOM 437 SG CYS A 28 10.917 28.661 11.231 1.00 1.00 S ATOM 0 H CYS A 28 8.854 24.870 11.431 1.00 1.00 H new ATOM 0 HA CYS A 28 11.202 26.007 10.170 1.00 1.00 H new ATOM 0 HB2 CYS A 28 9.122 27.276 10.362 1.00 1.00 H new ATOM 0 HB3 CYS A 28 9.204 27.183 12.111 1.00 1.00 H new ATOM 442 N ARG A 29 12.879 25.636 11.932 1.00 1.00 N ATOM 443 CA ARG A 29 13.911 25.481 12.944 1.00 1.00 C ATOM 444 C ARG A 29 14.351 26.849 13.467 1.00 1.00 C ATOM 445 O ARG A 29 15.326 26.949 14.210 1.00 1.00 O ATOM 446 CB ARG A 29 15.127 24.742 12.381 1.00 1.00 C ATOM 447 CG ARG A 29 14.882 23.233 12.341 1.00 1.00 C ATOM 448 CD ARG A 29 15.885 22.538 11.417 1.00 1.00 C ATOM 449 NE ARG A 29 15.629 22.924 10.011 1.00 1.00 N ATOM 450 CZ ARG A 29 15.959 22.162 8.946 1.00 1.00 C ATOM 451 NH1 ARG A 29 16.561 20.966 9.119 1.00 1.00 N ATOM 452 NH2 ARG A 29 15.684 22.605 7.734 1.00 1.00 N ATOM 0 H ARG A 29 13.220 25.634 10.971 1.00 1.00 H new ATOM 0 HA ARG A 29 13.490 24.895 13.761 1.00 1.00 H new ATOM 0 HB2 ARG A 29 15.345 25.105 11.377 1.00 1.00 H new ATOM 0 HB3 ARG A 29 16.003 24.956 12.994 1.00 1.00 H new ATOM 0 HG2 ARG A 29 14.963 22.821 13.347 1.00 1.00 H new ATOM 0 HG3 ARG A 29 13.867 23.035 11.996 1.00 1.00 H new ATOM 0 HD2 ARG A 29 16.902 22.812 11.699 1.00 1.00 H new ATOM 0 HD3 ARG A 29 15.804 21.457 11.526 1.00 1.00 H new ATOM 0 HE ARG A 29 15.175 23.821 9.836 1.00 1.00 H new ATOM 0 HH11 ARG A 29 16.770 20.632 10.060 1.00 1.00 H new ATOM 0 HH12 ARG A 29 16.807 20.397 8.309 1.00 1.00 H new ATOM 0 HH21 ARG A 29 15.229 23.510 7.613 1.00 1.00 H new ATOM 0 HH22 ARG A 29 15.926 22.043 6.918 1.00 1.00 H new ATOM 465 N ALA A 30 13.611 27.870 13.059 1.00 1.00 N ATOM 466 CA ALA A 30 13.913 29.228 13.478 1.00 1.00 C ATOM 467 C ALA A 30 14.313 29.225 14.955 1.00 1.00 C ATOM 468 O ALA A 30 13.903 28.345 15.711 1.00 1.00 O ATOM 469 CB ALA A 30 12.706 30.127 13.203 1.00 1.00 C ATOM 0 H ALA A 30 12.803 27.784 12.443 1.00 1.00 H new ATOM 0 HA ALA A 30 14.753 29.627 12.910 1.00 1.00 H new ATOM 0 HB1 ALA A 30 12.932 31.146 13.517 1.00 1.00 H new ATOM 0 HB2 ALA A 30 12.481 30.118 12.137 1.00 1.00 H new ATOM 0 HB3 ALA A 30 11.844 29.759 13.759 1.00 1.00 H new ATOM 475 N PRO A 31 15.129 30.245 15.331 1.00 1.00 N ATOM 476 CA PRO A 31 15.589 30.368 16.704 1.00 1.00 C ATOM 477 C PRO A 31 14.470 30.882 17.613 1.00 1.00 C ATOM 478 O PRO A 31 14.561 30.777 18.835 1.00 1.00 O ATOM 479 CB PRO A 31 16.780 31.310 16.637 1.00 1.00 C ATOM 480 CG PRO A 31 16.658 32.043 15.311 1.00 1.00 C ATOM 481 CD PRO A 31 15.634 31.305 14.463 1.00 1.00 C ATOM 0 HA PRO A 31 15.879 29.411 17.138 1.00 1.00 H new ATOM 0 HB2 PRO A 31 16.772 32.010 17.472 1.00 1.00 H new ATOM 0 HB3 PRO A 31 17.718 30.758 16.693 1.00 1.00 H new ATOM 0 HG2 PRO A 31 16.347 33.075 15.473 1.00 1.00 H new ATOM 0 HG3 PRO A 31 17.622 32.076 14.803 1.00 1.00 H new ATOM 0 HD2 PRO A 31 14.832 31.970 14.142 1.00 1.00 H new ATOM 0 HD3 PRO A 31 16.088 30.895 13.561 1.00 1.00 H new ATOM 489 N ARG A 32 13.441 31.426 16.981 1.00 1.00 N ATOM 490 CA ARG A 32 12.306 31.956 17.718 1.00 1.00 C ATOM 491 C ARG A 32 11.918 31.005 18.851 1.00 1.00 C ATOM 492 O ARG A 32 12.277 29.828 18.830 1.00 1.00 O ATOM 493 CB ARG A 32 11.100 32.161 16.798 1.00 1.00 C ATOM 494 CG ARG A 32 10.481 30.821 16.398 1.00 1.00 C ATOM 495 CD ARG A 32 9.075 30.670 16.981 1.00 1.00 C ATOM 496 NE ARG A 32 8.183 31.714 16.428 1.00 1.00 N ATOM 497 CZ ARG A 32 6.842 31.593 16.337 1.00 1.00 C ATOM 498 NH1 ARG A 32 6.225 30.470 16.762 1.00 1.00 N ATOM 499 NH2 ARG A 32 6.142 32.589 15.826 1.00 1.00 N ATOM 0 H ARG A 32 13.369 31.511 15.967 1.00 1.00 H new ATOM 0 HA ARG A 32 12.601 32.920 18.133 1.00 1.00 H new ATOM 0 HB2 ARG A 32 10.353 32.774 17.303 1.00 1.00 H new ATOM 0 HB3 ARG A 32 11.408 32.704 15.905 1.00 1.00 H new ATOM 0 HG2 ARG A 32 10.438 30.746 15.311 1.00 1.00 H new ATOM 0 HG3 ARG A 32 11.113 30.005 16.749 1.00 1.00 H new ATOM 0 HD2 ARG A 32 8.680 29.681 16.748 1.00 1.00 H new ATOM 0 HD3 ARG A 32 9.112 30.750 18.067 1.00 1.00 H new ATOM 0 HE ARG A 32 8.609 32.579 16.095 1.00 1.00 H new ATOM 0 HH11 ARG A 32 6.773 29.705 17.156 1.00 1.00 H new ATOM 0 HH12 ARG A 32 5.211 30.387 16.690 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.616 33.434 15.507 1.00 1.00 H new ATOM 0 HH22 ARG A 32 5.128 32.513 15.750 1.00 1.00 H new ATOM 512 N LYS A 33 11.190 31.550 19.815 1.00 1.00 N ATOM 513 CA LYS A 33 10.749 30.764 20.955 1.00 1.00 C ATOM 514 C LYS A 33 9.457 31.364 21.513 1.00 1.00 C ATOM 515 O LYS A 33 8.812 32.179 20.855 1.00 1.00 O ATOM 516 CB LYS A 33 11.870 30.647 21.990 1.00 1.00 C ATOM 517 CG LYS A 33 12.428 29.223 22.035 1.00 1.00 C ATOM 518 CD LYS A 33 11.451 28.272 22.729 1.00 1.00 C ATOM 519 CE LYS A 33 11.720 28.212 24.234 1.00 1.00 C ATOM 520 NZ LYS A 33 10.726 27.345 24.904 1.00 1.00 N ATOM 0 H LYS A 33 10.895 32.526 19.830 1.00 1.00 H new ATOM 0 HA LYS A 33 10.521 29.743 20.649 1.00 1.00 H new ATOM 0 HB2 LYS A 33 12.669 31.347 21.747 1.00 1.00 H new ATOM 0 HB3 LYS A 33 11.492 30.925 22.974 1.00 1.00 H new ATOM 0 HG2 LYS A 33 12.623 28.873 21.021 1.00 1.00 H new ATOM 0 HG3 LYS A 33 13.382 29.219 22.563 1.00 1.00 H new ATOM 0 HD2 LYS A 33 10.428 28.603 22.552 1.00 1.00 H new ATOM 0 HD3 LYS A 33 11.542 27.274 22.300 1.00 1.00 H new ATOM 0 HE2 LYS A 33 12.725 27.830 24.415 1.00 1.00 H new ATOM 0 HE3 LYS A 33 11.679 29.216 24.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.923 27.315 25.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 9.771 27.726 24.747 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 10.784 26.383 24.512 1.00 1.00 H new ATOM 533 N LYS A 34 9.117 30.937 22.721 1.00 1.00 N ATOM 534 CA LYS A 34 7.914 31.422 23.375 1.00 1.00 C ATOM 535 C LYS A 34 6.690 30.769 22.729 1.00 1.00 C ATOM 536 O LYS A 34 5.957 30.031 23.386 1.00 1.00 O ATOM 537 CB LYS A 34 7.874 32.951 23.359 1.00 1.00 C ATOM 538 CG LYS A 34 9.217 33.539 23.799 1.00 1.00 C ATOM 539 CD LYS A 34 9.694 34.611 22.817 1.00 1.00 C ATOM 540 CE LYS A 34 9.461 36.014 23.381 1.00 1.00 C ATOM 541 NZ LYS A 34 10.200 37.021 22.587 1.00 1.00 N ATOM 0 H LYS A 34 9.654 30.260 23.263 1.00 1.00 H new ATOM 0 HA LYS A 34 7.911 31.137 24.427 1.00 1.00 H new ATOM 0 HB2 LYS A 34 7.630 33.302 22.356 1.00 1.00 H new ATOM 0 HB3 LYS A 34 7.084 33.305 24.021 1.00 1.00 H new ATOM 0 HG2 LYS A 34 9.120 33.970 24.795 1.00 1.00 H new ATOM 0 HG3 LYS A 34 9.961 32.745 23.866 1.00 1.00 H new ATOM 0 HD2 LYS A 34 10.754 34.471 22.607 1.00 1.00 H new ATOM 0 HD3 LYS A 34 9.165 34.503 21.870 1.00 1.00 H new ATOM 0 HE2 LYS A 34 8.396 36.244 23.370 1.00 1.00 H new ATOM 0 HE3 LYS A 34 9.785 36.053 24.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 10.031 37.968 22.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 11.218 36.809 22.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 9.871 36.995 21.601 1.00 1.00 H new ATOM 554 N GLY A 35 6.506 31.064 21.451 1.00 1.00 N ATOM 555 CA GLY A 35 5.383 30.515 20.710 1.00 1.00 C ATOM 556 C GLY A 35 4.099 31.292 21.005 1.00 1.00 C ATOM 557 O GLY A 35 4.145 32.484 21.306 1.00 1.00 O ATOM 0 H GLY A 35 7.116 31.676 20.909 1.00 1.00 H new ATOM 0 HA2 GLY A 35 5.596 30.550 19.642 1.00 1.00 H new ATOM 0 HA3 GLY A 35 5.246 29.466 20.974 1.00 1.00 H new ATOM 561 N CYS A 36 2.982 30.586 20.908 1.00 1.00 N ATOM 562 CA CYS A 36 1.687 31.194 21.160 1.00 1.00 C ATOM 563 C CYS A 36 1.581 31.493 22.657 1.00 1.00 C ATOM 564 O CYS A 36 1.562 30.577 23.477 1.00 1.00 O ATOM 565 CB CYS A 36 0.540 30.307 20.673 1.00 1.00 C ATOM 566 SG CYS A 36 -1.036 31.234 20.730 1.00 1.00 S ATOM 0 H CYS A 36 2.947 29.598 20.658 1.00 1.00 H new ATOM 0 HA CYS A 36 1.603 32.124 20.597 1.00 1.00 H new ATOM 0 HB2 CYS A 36 0.737 29.970 19.655 1.00 1.00 H new ATOM 0 HB3 CYS A 36 0.469 29.415 21.296 1.00 1.00 H new ATOM 571 N TRP A 37 1.513 32.780 22.968 1.00 1.00 N ATOM 572 CA TRP A 37 1.408 33.211 24.351 1.00 1.00 C ATOM 573 C TRP A 37 -0.077 33.324 24.700 1.00 1.00 C ATOM 574 O TRP A 37 -0.436 33.919 25.715 1.00 1.00 O ATOM 575 CB TRP A 37 2.177 34.514 24.579 1.00 1.00 C ATOM 576 CG TRP A 37 3.430 34.355 25.442 1.00 1.00 C ATOM 577 CD1 TRP A 37 4.649 33.950 25.061 1.00 1.00 C ATOM 578 CD2 TRP A 37 3.537 34.616 26.858 1.00 1.00 C ATOM 579 NE1 TRP A 37 5.531 33.931 26.123 1.00 1.00 N ATOM 580 CE2 TRP A 37 4.833 34.349 27.250 1.00 1.00 C ATOM 581 CE3 TRP A 37 2.572 35.064 27.776 1.00 1.00 C ATOM 582 CZ2 TRP A 37 5.282 34.499 28.568 1.00 1.00 C ATOM 583 CZ3 TRP A 37 3.036 35.208 29.089 1.00 1.00 C ATOM 584 CH2 TRP A 37 4.337 34.943 29.500 1.00 1.00 C ATOM 0 H TRP A 37 1.529 33.538 22.285 1.00 1.00 H new ATOM 0 HA TRP A 37 1.867 32.482 25.018 1.00 1.00 H new ATOM 0 HB2 TRP A 37 2.464 34.928 23.612 1.00 1.00 H new ATOM 0 HB3 TRP A 37 1.513 35.238 25.051 1.00 1.00 H new ATOM 0 HD1 TRP A 37 4.909 33.673 24.050 1.00 1.00 H new ATOM 0 HE1 TRP A 37 6.514 33.660 26.087 1.00 1.00 H new ATOM 0 HE3 TRP A 37 1.553 35.280 27.491 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 6.302 34.284 28.850 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 2.334 35.549 29.835 1.00 1.00 H new ATOM 0 HH2 TRP A 37 4.617 35.079 30.534 1.00 1.00 H new ATOM 595 N LYS A 38 -0.900 32.745 23.839 1.00 1.00 N ATOM 596 CA LYS A 38 -2.339 32.773 24.044 1.00 1.00 C ATOM 597 C LYS A 38 -2.808 31.400 24.529 1.00 1.00 C ATOM 598 O LYS A 38 -3.613 31.306 25.454 1.00 1.00 O ATOM 599 CB LYS A 38 -3.050 33.255 22.778 1.00 1.00 C ATOM 600 CG LYS A 38 -4.452 33.776 23.102 1.00 1.00 C ATOM 601 CD LYS A 38 -4.729 35.093 22.374 1.00 1.00 C ATOM 602 CE LYS A 38 -5.972 34.980 21.490 1.00 1.00 C ATOM 603 NZ LYS A 38 -7.125 35.653 22.128 1.00 1.00 N ATOM 0 H LYS A 38 -0.599 32.253 22.998 1.00 1.00 H new ATOM 0 HA LYS A 38 -2.600 33.491 24.821 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -2.465 34.044 22.306 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -3.119 32.437 22.061 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -5.196 33.033 22.813 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -4.550 33.923 24.178 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -4.867 35.893 23.102 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -3.867 35.363 21.763 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -5.775 35.428 20.516 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -6.207 33.930 21.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -7.977 35.069 22.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -6.933 35.784 23.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -7.276 36.580 21.682 1.00 1.00 H new ATOM 616 N CYS A 39 -2.284 30.369 23.882 1.00 1.00 N ATOM 617 CA CYS A 39 -2.639 29.005 24.236 1.00 1.00 C ATOM 618 C CYS A 39 -1.439 28.362 24.933 1.00 1.00 C ATOM 619 O CYS A 39 -1.598 27.415 25.703 1.00 1.00 O ATOM 620 CB CYS A 39 -3.087 28.202 23.013 1.00 1.00 C ATOM 621 SG CYS A 39 -1.809 28.287 21.706 1.00 1.00 S ATOM 0 H CYS A 39 -1.617 30.451 23.115 1.00 1.00 H new ATOM 0 HA CYS A 39 -3.491 29.013 24.916 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -3.263 27.164 23.294 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -4.031 28.595 22.636 1.00 1.00 H new ATOM 626 N GLY A 40 -0.265 28.901 24.639 1.00 1.00 N ATOM 627 CA GLY A 40 0.961 28.392 25.228 1.00 1.00 C ATOM 628 C GLY A 40 1.629 27.369 24.306 1.00 1.00 C ATOM 629 O GLY A 40 2.726 26.893 24.593 1.00 1.00 O ATOM 0 H GLY A 40 -0.137 29.686 24.000 1.00 1.00 H new ATOM 0 HA2 GLY A 40 1.647 29.217 25.419 1.00 1.00 H new ATOM 0 HA3 GLY A 40 0.742 27.931 26.191 1.00 1.00 H new ATOM 633 N LYS A 41 0.938 27.062 23.218 1.00 1.00 N ATOM 634 CA LYS A 41 1.451 26.105 22.252 1.00 1.00 C ATOM 635 C LYS A 41 2.361 26.827 21.258 1.00 1.00 C ATOM 636 O LYS A 41 2.061 27.942 20.833 1.00 1.00 O ATOM 637 CB LYS A 41 0.300 25.343 21.591 1.00 1.00 C ATOM 638 CG LYS A 41 -0.147 24.164 22.458 1.00 1.00 C ATOM 639 CD LYS A 41 -0.762 23.055 21.601 1.00 1.00 C ATOM 640 CE LYS A 41 0.226 21.904 21.402 1.00 1.00 C ATOM 641 NZ LYS A 41 0.983 22.082 20.142 1.00 1.00 N ATOM 0 H LYS A 41 0.028 27.459 22.984 1.00 1.00 H new ATOM 0 HA LYS A 41 2.059 25.350 22.750 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -0.540 26.017 21.427 1.00 1.00 H new ATOM 0 HB3 LYS A 41 0.614 24.981 20.612 1.00 1.00 H new ATOM 0 HG2 LYS A 41 0.706 23.771 23.011 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -0.874 24.505 23.195 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -1.669 22.682 22.078 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -1.055 23.459 20.632 1.00 1.00 H new ATOM 0 HE2 LYS A 41 0.916 21.860 22.245 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -0.311 20.956 21.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 1.649 21.292 20.023 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 0.322 22.102 19.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 1.511 22.977 20.178 1.00 1.00 H new ATOM 654 N GLU A 42 3.455 26.163 20.916 1.00 1.00 N ATOM 655 CA GLU A 42 4.412 26.729 19.979 1.00 1.00 C ATOM 656 C GLU A 42 4.171 26.173 18.574 1.00 1.00 C ATOM 657 O GLU A 42 3.530 25.135 18.415 1.00 1.00 O ATOM 658 CB GLU A 42 5.848 26.464 20.435 1.00 1.00 C ATOM 659 CG GLU A 42 6.294 25.052 20.051 1.00 1.00 C ATOM 660 CD GLU A 42 7.562 24.652 20.807 1.00 1.00 C ATOM 661 OE1 GLU A 42 8.174 25.494 21.480 1.00 1.00 O ATOM 662 OE2 GLU A 42 7.907 23.416 20.678 1.00 1.00 O ATOM 0 H GLU A 42 3.701 25.239 21.270 1.00 1.00 H new ATOM 0 HA GLU A 42 4.268 27.809 19.951 1.00 1.00 H new ATOM 0 HB2 GLU A 42 6.518 27.196 19.983 1.00 1.00 H new ATOM 0 HB3 GLU A 42 5.919 26.590 21.515 1.00 1.00 H new ATOM 0 HG2 GLU A 42 5.496 24.343 20.271 1.00 1.00 H new ATOM 0 HG3 GLU A 42 6.476 25.004 18.977 1.00 1.00 H new ATOM 670 N GLY A 43 4.698 26.888 17.591 1.00 1.00 N ATOM 671 CA GLY A 43 4.549 26.479 16.205 1.00 1.00 C ATOM 672 C GLY A 43 3.443 27.278 15.514 1.00 1.00 C ATOM 673 O GLY A 43 3.250 27.160 14.305 1.00 1.00 O ATOM 0 H GLY A 43 5.229 27.748 17.727 1.00 1.00 H new ATOM 0 HA2 GLY A 43 5.491 26.623 15.676 1.00 1.00 H new ATOM 0 HA3 GLY A 43 4.317 25.415 16.159 1.00 1.00 H new ATOM 677 N HIS A 44 2.746 28.075 16.311 1.00 1.00 N ATOM 678 CA HIS A 44 1.664 28.894 15.791 1.00 1.00 C ATOM 679 C HIS A 44 1.514 30.151 16.649 1.00 1.00 C ATOM 680 O HIS A 44 2.330 30.404 17.534 1.00 1.00 O ATOM 681 CB HIS A 44 0.369 28.085 15.693 1.00 1.00 C ATOM 682 CG HIS A 44 -0.413 28.019 16.983 1.00 1.00 C ATOM 683 ND1 HIS A 44 -0.413 26.905 17.804 1.00 1.00 N ATOM 684 CD2 HIS A 44 -1.219 28.941 17.585 1.00 1.00 C ATOM 685 CE1 HIS A 44 -1.187 27.155 18.849 1.00 1.00 C ATOM 686 NE2 HIS A 44 -1.686 28.417 18.711 1.00 1.00 N ATOM 0 H HIS A 44 2.910 28.171 17.313 1.00 1.00 H new ATOM 0 HA HIS A 44 1.901 29.215 14.777 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -0.262 28.522 14.919 1.00 1.00 H new ATOM 0 HB3 HIS A 44 0.609 27.071 15.374 1.00 1.00 H new ATOM 0 HD1 HIS A 44 0.097 26.038 17.633 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -1.439 29.929 17.209 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -1.388 26.479 19.667 1.00 1.00 H new ATOM 694 N GLN A 45 0.465 30.906 16.357 1.00 1.00 N ATOM 695 CA GLN A 45 0.198 32.132 17.091 1.00 1.00 C ATOM 696 C GLN A 45 -1.204 32.650 16.766 1.00 1.00 C ATOM 697 O GLN A 45 -1.990 31.961 16.117 1.00 1.00 O ATOM 698 CB GLN A 45 1.258 33.193 16.791 1.00 1.00 C ATOM 699 CG GLN A 45 2.318 33.237 17.894 1.00 1.00 C ATOM 700 CD GLN A 45 2.393 34.628 18.526 1.00 1.00 C ATOM 701 OE1 GLN A 45 1.452 35.116 19.130 1.00 1.00 O ATOM 702 NE2 GLN A 45 3.563 35.238 18.354 1.00 1.00 N ATOM 0 H GLN A 45 -0.210 30.693 15.623 1.00 1.00 H new ATOM 0 HA GLN A 45 0.245 31.911 18.157 1.00 1.00 H new ATOM 0 HB2 GLN A 45 1.733 32.977 15.834 1.00 1.00 H new ATOM 0 HB3 GLN A 45 0.784 34.170 16.698 1.00 1.00 H new ATOM 0 HG2 GLN A 45 2.082 32.498 18.660 1.00 1.00 H new ATOM 0 HG3 GLN A 45 3.290 32.969 17.480 1.00 1.00 H new ATOM 0 HE21 GLN A 45 4.310 34.773 17.838 1.00 1.00 H new ATOM 0 HE22 GLN A 45 3.713 36.171 18.739 1.00 1.00 H new ATOM 711 N MET A 46 -1.476 33.860 17.232 1.00 1.00 N ATOM 712 CA MET A 46 -2.770 34.479 16.998 1.00 1.00 C ATOM 713 C MET A 46 -3.192 34.332 15.535 1.00 1.00 C ATOM 714 O MET A 46 -4.349 34.033 15.246 1.00 1.00 O ATOM 715 CB MET A 46 -2.700 35.963 17.363 1.00 1.00 C ATOM 716 CG MET A 46 -1.512 36.641 16.677 1.00 1.00 C ATOM 717 SD MET A 46 -0.915 37.990 17.681 1.00 1.00 S ATOM 718 CE MET A 46 0.792 38.032 17.161 1.00 1.00 C ATOM 0 H MET A 46 -0.822 34.429 17.771 1.00 1.00 H new ATOM 0 HA MET A 46 -3.510 33.977 17.622 1.00 1.00 H new ATOM 0 HB2 MET A 46 -3.625 36.458 17.068 1.00 1.00 H new ATOM 0 HB3 MET A 46 -2.611 36.072 18.444 1.00 1.00 H new ATOM 0 HG2 MET A 46 -0.714 35.917 16.515 1.00 1.00 H new ATOM 0 HG3 MET A 46 -1.811 37.011 15.696 1.00 1.00 H new ATOM 0 HE1 MET A 46 1.316 38.825 17.695 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.263 37.074 17.381 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.841 38.223 16.089 1.00 1.00 H new ATOM 728 N LYS A 47 -2.230 34.550 14.650 1.00 1.00 N ATOM 729 CA LYS A 47 -2.487 34.446 13.224 1.00 1.00 C ATOM 730 C LYS A 47 -3.399 33.246 12.961 1.00 1.00 C ATOM 731 O LYS A 47 -4.311 33.323 12.139 1.00 1.00 O ATOM 732 CB LYS A 47 -1.172 34.402 12.444 1.00 1.00 C ATOM 733 CG LYS A 47 -1.147 35.471 11.350 1.00 1.00 C ATOM 734 CD LYS A 47 -1.904 35.001 10.106 1.00 1.00 C ATOM 735 CE LYS A 47 -1.649 35.936 8.923 1.00 1.00 C ATOM 736 NZ LYS A 47 -2.279 37.255 9.160 1.00 1.00 N ATOM 0 H LYS A 47 -1.271 34.798 14.893 1.00 1.00 H new ATOM 0 HA LYS A 47 -3.013 35.331 12.866 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -0.335 34.555 13.126 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -1.043 33.416 11.997 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -1.594 36.391 11.726 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -0.115 35.702 11.086 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -1.593 33.989 9.848 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -2.972 34.962 10.319 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -0.576 36.060 8.774 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -2.048 35.494 8.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -2.125 37.867 8.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -3.300 37.130 9.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -1.855 37.696 10.001 1.00 1.00 H new ATOM 749 N ASP A 48 -3.121 32.165 13.674 1.00 1.00 N ATOM 750 CA ASP A 48 -3.904 30.950 13.528 1.00 1.00 C ATOM 751 C ASP A 48 -4.068 30.286 14.897 1.00 1.00 C ATOM 752 O ASP A 48 -3.955 29.067 15.017 1.00 1.00 O ATOM 753 CB ASP A 48 -3.208 29.953 12.600 1.00 1.00 C ATOM 754 CG ASP A 48 -2.393 30.584 11.468 1.00 1.00 C ATOM 755 OD1 ASP A 48 -1.285 31.096 11.687 1.00 1.00 O ATOM 756 OD2 ASP A 48 -2.948 30.535 10.304 1.00 1.00 O ATOM 0 H ASP A 48 -2.364 32.105 14.355 1.00 1.00 H new ATOM 0 HA ASP A 48 -4.871 31.222 13.105 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -2.547 29.324 13.197 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -3.962 29.298 12.163 1.00 1.00 H new ATOM 762 N CYS A 49 -4.332 31.117 15.894 1.00 1.00 N ATOM 763 CA CYS A 49 -4.513 30.626 17.250 1.00 1.00 C ATOM 764 C CYS A 49 -5.940 30.092 17.381 1.00 1.00 C ATOM 765 O CYS A 49 -6.897 30.866 17.400 1.00 1.00 O ATOM 766 CB CYS A 49 -4.209 31.708 18.288 1.00 1.00 C ATOM 767 SG CYS A 49 -4.486 31.052 19.974 1.00 1.00 S ATOM 0 H CYS A 49 -4.425 32.127 15.790 1.00 1.00 H new ATOM 0 HA CYS A 49 -3.806 29.820 17.446 1.00 1.00 H new ATOM 0 HB2 CYS A 49 -3.177 32.044 18.184 1.00 1.00 H new ATOM 0 HB3 CYS A 49 -4.845 32.576 18.117 1.00 1.00 H new ATOM 772 N THR A 50 -6.040 28.774 17.469 1.00 1.00 N ATOM 773 CA THR A 50 -7.335 28.128 17.598 1.00 1.00 C ATOM 774 C THR A 50 -7.921 28.382 18.988 1.00 1.00 C ATOM 775 O THR A 50 -9.056 27.999 19.267 1.00 1.00 O ATOM 776 CB THR A 50 -7.157 26.643 17.275 1.00 1.00 C ATOM 777 OG1 THR A 50 -8.478 26.112 17.345 1.00 1.00 O ATOM 778 CG2 THR A 50 -6.395 25.893 18.369 1.00 1.00 C ATOM 0 H THR A 50 -5.245 28.135 17.453 1.00 1.00 H new ATOM 0 HA THR A 50 -8.057 28.544 16.895 1.00 1.00 H new ATOM 0 HB THR A 50 -6.628 26.538 16.328 1.00 1.00 H new ATOM 0 HG1 THR A 50 -8.997 26.613 18.008 1.00 1.00 H new ATOM 0 HG21 THR A 50 -6.296 24.844 18.090 1.00 1.00 H new ATOM 0 HG22 THR A 50 -5.404 26.331 18.488 1.00 1.00 H new ATOM 0 HG23 THR A 50 -6.941 25.969 19.310 1.00 1.00 H new ATOM 786 N GLU A 51 -7.120 29.025 19.825 1.00 1.00 N ATOM 787 CA GLU A 51 -7.545 29.334 21.179 1.00 1.00 C ATOM 788 C GLU A 51 -7.694 30.847 21.357 1.00 1.00 C ATOM 789 O GLU A 51 -6.812 31.500 21.910 1.00 1.00 O ATOM 790 CB GLU A 51 -6.569 28.755 22.206 1.00 1.00 C ATOM 791 CG GLU A 51 -7.312 27.960 23.281 1.00 1.00 C ATOM 792 CD GLU A 51 -7.888 26.665 22.706 1.00 1.00 C ATOM 793 OE1 GLU A 51 -9.048 26.643 22.267 1.00 1.00 O ATOM 794 OE2 GLU A 51 -7.085 25.656 22.723 1.00 1.00 O ATOM 0 H GLU A 51 -6.179 29.340 19.591 1.00 1.00 H new ATOM 0 HA GLU A 51 -8.517 28.870 21.348 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -5.848 28.109 21.704 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -6.004 29.563 22.671 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -6.632 27.727 24.101 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -8.116 28.567 23.696 1.00 1.00 H new ATOM 802 N ARG A 52 -8.818 31.358 20.877 1.00 1.00 N ATOM 803 CA ARG A 52 -9.094 32.782 20.976 1.00 1.00 C ATOM 804 C ARG A 52 -10.389 33.018 21.756 1.00 1.00 C ATOM 805 O ARG A 52 -11.474 32.687 21.281 1.00 1.00 O ATOM 806 CB ARG A 52 -9.220 33.416 19.589 1.00 1.00 C ATOM 807 CG ARG A 52 -9.341 34.938 19.691 1.00 1.00 C ATOM 808 CD ARG A 52 -8.912 35.611 18.386 1.00 1.00 C ATOM 809 NE ARG A 52 -7.630 36.324 18.582 1.00 1.00 N ATOM 810 CZ ARG A 52 -7.475 37.393 19.391 1.00 1.00 C ATOM 811 NH1 ARG A 52 -8.523 37.882 20.088 1.00 1.00 N ATOM 812 NH2 ARG A 52 -6.284 37.953 19.491 1.00 1.00 N ATOM 0 H ARG A 52 -9.548 30.812 20.419 1.00 1.00 H new ATOM 0 HA ARG A 52 -8.259 33.246 21.501 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -8.350 33.156 18.986 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -10.094 33.011 19.078 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -10.371 35.210 19.923 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -8.723 35.301 20.512 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -8.805 34.864 17.600 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -9.681 36.311 18.058 1.00 1.00 H new ATOM 0 HE ARG A 52 -6.813 35.986 18.074 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -9.440 37.443 20.005 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -8.398 38.690 20.697 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -5.498 37.577 18.961 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -6.150 38.762 20.098 1.00 1.00 H new ATOM 825 N GLN A 53 -10.232 33.589 22.941 1.00 1.00 N ATOM 826 CA GLN A 53 -11.375 33.874 23.792 1.00 1.00 C ATOM 827 C GLN A 53 -11.815 35.329 23.621 1.00 1.00 C ATOM 828 O GLN A 53 -11.685 36.133 24.543 1.00 1.00 O ATOM 829 CB GLN A 53 -11.058 33.565 25.257 1.00 1.00 C ATOM 830 CG GLN A 53 -10.648 32.102 25.433 1.00 1.00 C ATOM 831 CD GLN A 53 -11.854 31.172 25.280 1.00 1.00 C ATOM 832 OE1 GLN A 53 -12.493 31.108 24.243 1.00 1.00 O ATOM 833 NE2 GLN A 53 -12.127 30.458 26.368 1.00 1.00 N ATOM 0 H GLN A 53 -9.330 33.862 23.332 1.00 1.00 H new ATOM 0 HA GLN A 53 -12.199 33.228 23.489 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -10.255 34.216 25.604 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -11.931 33.779 25.874 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -9.888 31.842 24.696 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -10.199 31.962 26.416 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -11.551 30.561 27.203 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -12.913 29.808 26.367 1.00 1.00 H new ATOM 842 N ALA A 54 -12.326 35.623 22.434 1.00 1.00 N ATOM 843 CA ALA A 54 -12.786 36.968 22.130 1.00 1.00 C ATOM 844 C ALA A 54 -14.263 36.919 21.734 1.00 1.00 C ATOM 845 O ALA A 54 -15.106 37.525 22.393 1.00 1.00 O ATOM 846 CB ALA A 54 -11.907 37.572 21.034 1.00 1.00 C ATOM 0 H ALA A 54 -12.432 34.953 21.672 1.00 1.00 H new ATOM 0 HA ALA A 54 -12.701 37.611 23.006 1.00 1.00 H new ATOM 0 HB1 ALA A 54 -12.252 38.581 20.806 1.00 1.00 H new ATOM 0 HB2 ALA A 54 -10.873 37.611 21.377 1.00 1.00 H new ATOM 0 HB3 ALA A 54 -11.969 36.956 20.137 1.00 1.00 H new ATOM 852 N ASN A 55 -14.530 36.193 20.658 1.00 1.00 N ATOM 853 CA ASN A 55 -15.890 36.058 20.166 1.00 1.00 C ATOM 854 C ASN A 55 -16.595 37.414 20.247 1.00 1.00 C ATOM 855 O ASN A 55 -17.702 37.574 19.735 1.00 1.00 O ATOM 856 CB ASN A 55 -16.686 35.061 21.011 1.00 1.00 C ATOM 857 CG ASN A 55 -16.753 35.511 22.472 1.00 1.00 C ATOM 858 OD1 ASN A 55 -15.855 35.273 23.264 1.00 1.00 O ATOM 859 ND2 ASN A 55 -17.863 36.174 22.784 1.00 1.00 N ATOM 0 H ASN A 55 -13.828 35.692 20.114 1.00 1.00 H new ATOM 0 HA ASN A 55 -15.841 35.701 19.137 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -17.695 34.963 20.610 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -16.222 34.076 20.951 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -18.002 36.517 23.734 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -18.575 36.339 22.073 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 11.383 28.650 8.976 1.00 1.00 ZN HETATM 868 ZN ZN A 57 -2.639 29.676 20.003 1.00 1.00 ZN