USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 369 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 Set 1.1: A 12 CYS SG : rot -114:sc= 0.893 USER MOD Set 1.2: A 13 HIS : no HD1:sc= 0.116 K(o=-2.1,f=-6.8!) USER MOD Set 1.3: A 30 CYS SG : rot -74:sc= -3.06! USER MOD Single : A 1 ASP N :NH3+ 160:sc= 0.0178 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.16) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= -0.175 (180deg=-0.805) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.776 USER MOD Single : A 11 THR OG1 : rot 90:sc= 0.64 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.23) USER MOD Single : A 24 THR OG1 : rot 74:sc= 1.35 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.0891 (180deg=0.0385) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 69:sc= 0.112 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 0.017 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.9!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.328 0.003 0.020 1.00 10.00 N ATOM 2 CA ASP A 1 2.115 -0.018 -1.220 1.00 10.00 C ATOM 3 C ASP A 1 1.159 -0.302 -2.354 1.00 10.00 C ATOM 4 O ASP A 1 0.333 -1.198 -2.221 1.00 10.00 O ATOM 5 CB ASP A 1 3.196 -1.105 -1.165 1.00 10.00 C ATOM 6 CG ASP A 1 4.520 -0.519 -1.601 1.00 10.00 C ATOM 7 OD1 ASP A 1 5.144 0.123 -0.741 1.00 10.00 O ATOM 8 OD2 ASP A 1 4.797 -0.626 -2.807 1.00 10.00 O ATOM 0 H1 ASP A 1 1.959 -0.144 0.834 1.00 10.00 H new ATOM 0 H2 ASP A 1 0.851 0.922 0.113 1.00 10.00 H new ATOM 0 H3 ASP A 1 0.616 -0.755 -0.008 1.00 10.00 H new ATOM 0 HA ASP A 1 2.618 0.939 -1.360 1.00 10.00 H new ATOM 0 HB2 ASP A 1 3.277 -1.502 -0.153 1.00 10.00 H new ATOM 0 HB3 ASP A 1 2.923 -1.938 -1.813 1.00 10.00 H new ATOM 15 N GLU A 2 1.257 0.451 -3.438 1.00 10.00 N ATOM 16 CA GLU A 2 0.479 0.181 -4.644 1.00 10.00 C ATOM 17 C GLU A 2 1.290 -0.641 -5.630 1.00 10.00 C ATOM 18 O GLU A 2 0.740 -1.099 -6.612 1.00 10.00 O ATOM 19 CB GLU A 2 0.002 1.499 -5.264 1.00 10.00 C ATOM 20 CG GLU A 2 -1.525 1.635 -5.191 1.00 10.00 C ATOM 21 CD GLU A 2 -1.937 3.112 -5.156 1.00 10.00 C ATOM 22 OE1 GLU A 2 -1.255 3.914 -5.836 1.00 10.00 O ATOM 23 OE2 GLU A 2 -2.881 3.421 -4.395 1.00 10.00 O ATOM 0 H GLU A 2 1.872 1.261 -3.510 1.00 10.00 H new ATOM 0 HA GLU A 2 -0.401 -0.405 -4.378 1.00 10.00 H new ATOM 0 HB2 GLU A 2 0.468 2.336 -4.745 1.00 10.00 H new ATOM 0 HB3 GLU A 2 0.324 1.550 -6.304 1.00 10.00 H new ATOM 0 HG2 GLU A 2 -1.980 1.146 -6.052 1.00 10.00 H new ATOM 0 HG3 GLU A 2 -1.898 1.127 -4.302 1.00 10.00 H new ATOM 30 N ALA A 3 2.580 -0.887 -5.375 1.00 10.00 N ATOM 31 CA ALA A 3 3.415 -1.659 -6.283 1.00 10.00 C ATOM 32 C ALA A 3 2.891 -3.077 -6.517 1.00 10.00 C ATOM 33 O ALA A 3 2.749 -3.526 -7.646 1.00 10.00 O ATOM 34 CB ALA A 3 4.846 -1.710 -5.755 1.00 10.00 C ATOM 0 H ALA A 3 3.065 -0.557 -4.540 1.00 10.00 H new ATOM 0 HA ALA A 3 3.390 -1.152 -7.247 1.00 10.00 H new ATOM 0 HB1 ALA A 3 5.466 -2.289 -6.439 1.00 10.00 H new ATOM 0 HB2 ALA A 3 5.241 -0.697 -5.677 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.854 -2.180 -4.772 1.00 10.00 H new ATOM 40 N GLN A 4 2.574 -3.787 -5.438 1.00 10.00 N ATOM 41 CA GLN A 4 1.963 -5.112 -5.526 1.00 10.00 C ATOM 42 C GLN A 4 0.780 -5.185 -6.518 1.00 10.00 C ATOM 43 O GLN A 4 0.547 -6.209 -7.150 1.00 10.00 O ATOM 44 CB GLN A 4 1.514 -5.554 -4.130 1.00 10.00 C ATOM 45 CG GLN A 4 2.701 -5.857 -3.200 1.00 10.00 C ATOM 46 CD GLN A 4 2.636 -7.253 -2.591 1.00 10.00 C ATOM 47 OE1 GLN A 4 1.596 -7.778 -2.235 1.00 10.00 O ATOM 48 NE2 GLN A 4 3.780 -7.881 -2.421 1.00 10.00 N ATOM 0 H GLN A 4 2.732 -3.464 -4.483 1.00 10.00 H new ATOM 0 HA GLN A 4 2.723 -5.789 -5.917 1.00 10.00 H new ATOM 0 HB2 GLN A 4 0.898 -4.772 -3.685 1.00 10.00 H new ATOM 0 HB3 GLN A 4 0.888 -6.442 -4.217 1.00 10.00 H new ATOM 0 HG2 GLN A 4 3.630 -5.753 -3.760 1.00 10.00 H new ATOM 0 HG3 GLN A 4 2.727 -5.118 -2.399 1.00 10.00 H new ATOM 0 HE21 GLN A 4 4.652 -7.443 -2.719 1.00 10.00 H new ATOM 0 HE22 GLN A 4 3.795 -8.806 -1.992 1.00 10.00 H new ATOM 57 N PHE A 5 0.043 -4.082 -6.653 1.00 10.00 N ATOM 58 CA PHE A 5 -1.070 -3.921 -7.577 1.00 10.00 C ATOM 59 C PHE A 5 -0.548 -3.358 -8.901 1.00 10.00 C ATOM 60 O PHE A 5 -1.006 -3.805 -9.933 1.00 10.00 O ATOM 61 CB PHE A 5 -1.984 -2.882 -6.963 1.00 10.00 C ATOM 62 CG PHE A 5 -3.274 -2.819 -7.693 1.00 10.00 C ATOM 63 CD1 PHE A 5 -3.425 -1.997 -8.821 1.00 10.00 C ATOM 64 CD2 PHE A 5 -4.325 -3.611 -7.238 1.00 10.00 C ATOM 65 CE1 PHE A 5 -4.658 -1.952 -9.482 1.00 10.00 C ATOM 66 CE2 PHE A 5 -5.558 -3.553 -7.891 1.00 10.00 C ATOM 67 CZ PHE A 5 -5.719 -2.740 -9.020 1.00 10.00 C ATOM 0 H PHE A 5 0.216 -3.245 -6.097 1.00 10.00 H new ATOM 0 HA PHE A 5 -1.575 -4.871 -7.753 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -2.165 -3.124 -5.916 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -1.500 -1.906 -6.986 1.00 10.00 H new ATOM 0 HD1 PHE A 5 -2.596 -1.403 -9.176 1.00 10.00 H new ATOM 0 HD2 PHE A 5 -4.188 -4.264 -6.389 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -4.790 -1.313 -10.343 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -6.390 -4.137 -7.524 1.00 10.00 H new ATOM 0 HZ PHE A 5 -6.667 -2.721 -9.537 1.00 10.00 H new ATOM 77 N LYS A 6 0.388 -2.391 -8.917 1.00 10.00 N ATOM 78 CA LYS A 6 0.987 -1.805 -10.128 1.00 10.00 C ATOM 79 C LYS A 6 1.527 -2.913 -11.008 1.00 10.00 C ATOM 80 O LYS A 6 1.483 -2.798 -12.221 1.00 10.00 O ATOM 81 CB LYS A 6 2.046 -0.728 -9.785 1.00 10.00 C ATOM 82 CG LYS A 6 3.507 -1.215 -9.763 1.00 10.00 C ATOM 83 CD LYS A 6 4.129 -1.349 -11.159 1.00 10.00 C ATOM 84 CE LYS A 6 5.622 -1.070 -11.117 1.00 10.00 C ATOM 85 NZ LYS A 6 5.861 0.347 -10.757 1.00 10.00 N ATOM 0 H LYS A 6 0.759 -1.984 -8.059 1.00 10.00 H new ATOM 0 HA LYS A 6 0.217 -1.277 -10.690 1.00 10.00 H new ATOM 0 HB2 LYS A 6 1.963 0.082 -10.510 1.00 10.00 H new ATOM 0 HB3 LYS A 6 1.807 -0.307 -8.808 1.00 10.00 H new ATOM 0 HG2 LYS A 6 4.104 -0.520 -9.173 1.00 10.00 H new ATOM 0 HG3 LYS A 6 3.552 -2.181 -9.260 1.00 10.00 H new ATOM 0 HD2 LYS A 6 3.953 -2.353 -11.545 1.00 10.00 H new ATOM 0 HD3 LYS A 6 3.644 -0.655 -11.845 1.00 10.00 H new ATOM 0 HE2 LYS A 6 6.103 -1.725 -10.390 1.00 10.00 H new ATOM 0 HE3 LYS A 6 6.069 -1.288 -12.087 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 6.745 0.673 -11.197 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 5.070 0.930 -11.097 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 5.936 0.435 -9.723 1.00 10.00 H new ATOM 99 N GLU A 7 2.060 -3.960 -10.382 1.00 10.00 N ATOM 100 CA GLU A 7 2.583 -5.113 -11.072 1.00 10.00 C ATOM 101 C GLU A 7 1.447 -5.941 -11.629 1.00 10.00 C ATOM 102 O GLU A 7 1.482 -6.313 -12.784 1.00 10.00 O ATOM 103 CB GLU A 7 3.491 -5.950 -10.162 1.00 10.00 C ATOM 104 CG GLU A 7 4.593 -6.629 -10.980 1.00 10.00 C ATOM 105 CD GLU A 7 5.396 -7.606 -10.115 1.00 10.00 C ATOM 106 OE1 GLU A 7 4.840 -8.672 -9.768 1.00 10.00 O ATOM 107 OE2 GLU A 7 6.554 -7.257 -9.785 1.00 10.00 O ATOM 0 H GLU A 7 2.137 -4.022 -9.367 1.00 10.00 H new ATOM 0 HA GLU A 7 3.199 -4.767 -11.902 1.00 10.00 H new ATOM 0 HB2 GLU A 7 3.937 -5.313 -9.399 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.899 -6.704 -9.642 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.150 -7.162 -11.821 1.00 10.00 H new ATOM 0 HG3 GLU A 7 5.260 -5.874 -11.396 1.00 10.00 H new ATOM 114 N CYS A 8 0.369 -6.107 -10.875 1.00 10.00 N ATOM 115 CA CYS A 8 -0.787 -6.811 -11.361 1.00 10.00 C ATOM 116 C CYS A 8 -1.431 -6.048 -12.492 1.00 10.00 C ATOM 117 O CYS A 8 -1.758 -6.632 -13.488 1.00 10.00 O ATOM 118 CB CYS A 8 -1.791 -7.031 -10.242 1.00 10.00 C ATOM 119 SG CYS A 8 -2.660 -8.612 -10.397 1.00 10.00 S ATOM 0 H CYS A 8 0.281 -5.758 -9.921 1.00 10.00 H new ATOM 0 HA CYS A 8 -0.463 -7.783 -11.732 1.00 10.00 H new ATOM 0 HB2 CYS A 8 -1.275 -6.995 -9.282 1.00 10.00 H new ATOM 0 HB3 CYS A 8 -2.517 -6.218 -10.244 1.00 10.00 H new ATOM 124 N TYR A 9 -1.615 -4.748 -12.384 1.00 10.00 N ATOM 125 CA TYR A 9 -2.188 -3.903 -13.409 1.00 10.00 C ATOM 126 C TYR A 9 -1.372 -3.920 -14.692 1.00 10.00 C ATOM 127 O TYR A 9 -1.909 -4.179 -15.763 1.00 10.00 O ATOM 128 CB TYR A 9 -2.245 -2.475 -12.861 1.00 10.00 C ATOM 129 CG TYR A 9 -3.166 -1.564 -13.630 1.00 10.00 C ATOM 130 CD1 TYR A 9 -2.715 -0.864 -14.765 1.00 10.00 C ATOM 131 CD2 TYR A 9 -4.476 -1.391 -13.169 1.00 10.00 C ATOM 132 CE1 TYR A 9 -3.573 0.040 -15.414 1.00 10.00 C ATOM 133 CE2 TYR A 9 -5.323 -0.492 -13.815 1.00 10.00 C ATOM 134 CZ TYR A 9 -4.890 0.224 -14.929 1.00 10.00 C ATOM 135 OH TYR A 9 -5.795 1.045 -15.506 1.00 10.00 O ATOM 0 H TYR A 9 -1.358 -4.231 -11.543 1.00 10.00 H new ATOM 0 HA TYR A 9 -3.181 -4.278 -13.656 1.00 10.00 H new ATOM 0 HB2 TYR A 9 -2.568 -2.508 -11.820 1.00 10.00 H new ATOM 0 HB3 TYR A 9 -1.240 -2.052 -12.870 1.00 10.00 H new ATOM 0 HD1 TYR A 9 -1.713 -1.021 -15.136 1.00 10.00 H new ATOM 0 HD2 TYR A 9 -4.829 -1.952 -12.316 1.00 10.00 H new ATOM 0 HE1 TYR A 9 -3.230 0.591 -16.277 1.00 10.00 H new ATOM 0 HE2 TYR A 9 -6.328 -0.349 -13.447 1.00 10.00 H new ATOM 0 HH TYR A 9 -6.635 1.012 -15.002 1.00 10.00 H new ATOM 145 N ASP A 10 -0.072 -3.644 -14.587 1.00 10.00 N ATOM 146 CA ASP A 10 0.853 -3.639 -15.720 1.00 10.00 C ATOM 147 C ASP A 10 0.899 -5.024 -16.378 1.00 10.00 C ATOM 148 O ASP A 10 0.645 -5.205 -17.574 1.00 10.00 O ATOM 149 CB ASP A 10 2.263 -3.235 -15.245 1.00 10.00 C ATOM 150 CG ASP A 10 3.123 -2.559 -16.308 1.00 10.00 C ATOM 151 OD1 ASP A 10 3.042 -2.982 -17.483 1.00 10.00 O ATOM 152 OD2 ASP A 10 3.865 -1.623 -15.928 1.00 10.00 O ATOM 0 H ASP A 10 0.374 -3.414 -13.699 1.00 10.00 H new ATOM 0 HA ASP A 10 0.502 -2.915 -16.455 1.00 10.00 H new ATOM 0 HB2 ASP A 10 2.166 -2.562 -14.393 1.00 10.00 H new ATOM 0 HB3 ASP A 10 2.781 -4.126 -14.890 1.00 10.00 H new ATOM 157 N THR A 11 1.180 -6.038 -15.561 1.00 10.00 N ATOM 158 CA THR A 11 1.292 -7.427 -15.984 1.00 10.00 C ATOM 159 C THR A 11 -0.037 -7.935 -16.523 1.00 10.00 C ATOM 160 O THR A 11 -0.068 -8.514 -17.610 1.00 10.00 O ATOM 161 CB THR A 11 1.774 -8.317 -14.831 1.00 10.00 C ATOM 162 OG1 THR A 11 3.051 -7.861 -14.435 1.00 10.00 O ATOM 163 CG2 THR A 11 2.011 -9.758 -15.235 1.00 10.00 C ATOM 0 H THR A 11 1.340 -5.910 -14.562 1.00 10.00 H new ATOM 0 HA THR A 11 2.032 -7.473 -16.783 1.00 10.00 H new ATOM 0 HB THR A 11 1.000 -8.267 -14.065 1.00 10.00 H new ATOM 0 HG1 THR A 11 2.953 -7.178 -13.739 1.00 10.00 H new ATOM 0 HG21 THR A 11 2.350 -10.327 -14.370 1.00 10.00 H new ATOM 0 HG22 THR A 11 1.083 -10.188 -15.611 1.00 10.00 H new ATOM 0 HG23 THR A 11 2.771 -9.797 -16.015 1.00 10.00 H new ATOM 171 N CYS A 12 -1.144 -7.656 -15.828 1.00 10.00 N ATOM 172 CA CYS A 12 -2.490 -7.963 -16.286 1.00 10.00 C ATOM 173 C CYS A 12 -2.686 -7.318 -17.641 1.00 10.00 C ATOM 174 O CYS A 12 -3.065 -8.001 -18.579 1.00 10.00 O ATOM 175 CB CYS A 12 -3.596 -7.537 -15.321 1.00 10.00 C ATOM 176 SG CYS A 12 -5.231 -8.067 -15.853 1.00 10.00 S ATOM 0 H CYS A 12 -1.122 -7.202 -14.915 1.00 10.00 H new ATOM 0 HA CYS A 12 -2.576 -9.048 -16.346 1.00 10.00 H new ATOM 0 HB2 CYS A 12 -3.389 -7.950 -14.334 1.00 10.00 H new ATOM 0 HB3 CYS A 12 -3.586 -6.452 -15.221 1.00 10.00 H new ATOM 0 HG CYS A 12 -5.949 -7.025 -16.153 1.00 10.00 H new ATOM 181 N HIS A 13 -2.356 -6.030 -17.803 1.00 10.00 N ATOM 182 CA HIS A 13 -2.455 -5.329 -19.077 1.00 10.00 C ATOM 183 C HIS A 13 -1.759 -6.073 -20.194 1.00 10.00 C ATOM 184 O HIS A 13 -2.247 -6.051 -21.313 1.00 10.00 O ATOM 185 CB HIS A 13 -1.890 -3.919 -18.984 1.00 10.00 C ATOM 186 CG HIS A 13 -2.544 -2.969 -19.938 1.00 10.00 C ATOM 187 ND1 HIS A 13 -1.895 -2.270 -20.922 1.00 10.00 N ATOM 188 CD2 HIS A 13 -3.851 -2.579 -19.923 1.00 10.00 C ATOM 189 CE1 HIS A 13 -2.788 -1.466 -21.520 1.00 10.00 C ATOM 190 NE2 HIS A 13 -3.988 -1.636 -20.924 1.00 10.00 N ATOM 0 H HIS A 13 -2.010 -5.445 -17.042 1.00 10.00 H new ATOM 0 HA HIS A 13 -3.519 -5.274 -19.309 1.00 10.00 H new ATOM 0 HB2 HIS A 13 -2.015 -3.549 -17.966 1.00 10.00 H new ATOM 0 HB3 HIS A 13 -0.819 -3.948 -19.184 1.00 10.00 H new ATOM 0 HD2 HIS A 13 -4.625 -2.936 -19.260 1.00 10.00 H new ATOM 0 HE1 HIS A 13 -2.581 -0.795 -22.341 1.00 10.00 H new ATOM 0 HE2 HIS A 13 -4.850 -1.150 -21.171 1.00 10.00 H new ATOM 199 N LYS A 14 -0.617 -6.691 -19.921 1.00 10.00 N ATOM 200 CA LYS A 14 0.085 -7.549 -20.867 1.00 10.00 C ATOM 201 C LYS A 14 -0.799 -8.682 -21.381 1.00 10.00 C ATOM 202 O LYS A 14 -1.189 -8.644 -22.541 1.00 10.00 O ATOM 203 CB LYS A 14 1.380 -8.074 -20.244 1.00 10.00 C ATOM 204 CG LYS A 14 2.444 -8.237 -21.325 1.00 10.00 C ATOM 205 CD LYS A 14 3.604 -9.063 -20.773 1.00 10.00 C ATOM 206 CE LYS A 14 4.881 -8.734 -21.539 1.00 10.00 C ATOM 207 NZ LYS A 14 5.970 -9.657 -21.148 1.00 10.00 N ATOM 0 H LYS A 14 -0.145 -6.609 -19.021 1.00 10.00 H new ATOM 0 HA LYS A 14 0.345 -6.948 -21.738 1.00 10.00 H new ATOM 0 HB2 LYS A 14 1.731 -7.384 -19.476 1.00 10.00 H new ATOM 0 HB3 LYS A 14 1.197 -9.030 -19.754 1.00 10.00 H new ATOM 0 HG2 LYS A 14 2.017 -8.728 -22.200 1.00 10.00 H new ATOM 0 HG3 LYS A 14 2.801 -7.260 -21.650 1.00 10.00 H new ATOM 0 HD2 LYS A 14 3.740 -8.852 -19.712 1.00 10.00 H new ATOM 0 HD3 LYS A 14 3.380 -10.126 -20.861 1.00 10.00 H new ATOM 0 HE2 LYS A 14 4.699 -8.810 -22.611 1.00 10.00 H new ATOM 0 HE3 LYS A 14 5.178 -7.705 -21.338 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 6.833 -9.420 -21.678 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 6.154 -9.565 -20.129 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 5.690 -10.635 -21.362 1.00 10.00 H new ATOM 221 N GLU A 15 -1.152 -9.635 -20.521 1.00 10.00 N ATOM 222 CA GLU A 15 -2.078 -10.732 -20.854 1.00 10.00 C ATOM 223 C GLU A 15 -3.482 -10.223 -21.244 1.00 10.00 C ATOM 224 O GLU A 15 -4.302 -10.929 -21.823 1.00 10.00 O ATOM 225 CB GLU A 15 -2.174 -11.702 -19.669 1.00 10.00 C ATOM 226 CG GLU A 15 -2.874 -13.001 -20.085 1.00 10.00 C ATOM 227 CD GLU A 15 -2.414 -14.188 -19.233 1.00 10.00 C ATOM 228 OE1 GLU A 15 -1.227 -14.573 -19.371 1.00 10.00 O ATOM 229 OE2 GLU A 15 -3.243 -14.692 -18.440 1.00 10.00 O ATOM 0 H GLU A 15 -0.804 -9.674 -19.563 1.00 10.00 H new ATOM 0 HA GLU A 15 -1.676 -11.249 -21.726 1.00 10.00 H new ATOM 0 HB2 GLU A 15 -1.175 -11.926 -19.294 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -2.723 -11.233 -18.853 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -3.953 -12.880 -19.989 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -2.668 -13.205 -21.136 1.00 10.00 H new ATOM 236 N CYS A 16 -3.769 -8.953 -20.958 1.00 10.00 N ATOM 237 CA CYS A 16 -5.017 -8.318 -21.302 1.00 10.00 C ATOM 238 C CYS A 16 -4.991 -7.870 -22.757 1.00 10.00 C ATOM 239 O CYS A 16 -5.788 -8.302 -23.573 1.00 10.00 O ATOM 240 CB CYS A 16 -5.325 -7.129 -20.402 1.00 10.00 C ATOM 241 SG CYS A 16 -7.013 -6.522 -20.653 1.00 10.00 S ATOM 0 H CYS A 16 -3.120 -8.335 -20.471 1.00 10.00 H new ATOM 0 HA CYS A 16 -5.807 -9.055 -21.156 1.00 10.00 H new ATOM 0 HB2 CYS A 16 -5.193 -7.417 -19.359 1.00 10.00 H new ATOM 0 HB3 CYS A 16 -4.615 -6.326 -20.603 1.00 10.00 H new ATOM 246 N SER A 17 -4.134 -6.906 -23.092 1.00 10.00 N ATOM 247 CA SER A 17 -3.913 -6.438 -24.456 1.00 10.00 C ATOM 248 C SER A 17 -3.617 -7.591 -25.415 1.00 10.00 C ATOM 249 O SER A 17 -3.879 -7.446 -26.602 1.00 10.00 O ATOM 250 CB SER A 17 -2.739 -5.453 -24.522 1.00 10.00 C ATOM 251 OG SER A 17 -3.062 -4.258 -25.210 1.00 10.00 O ATOM 0 H SER A 17 -3.561 -6.418 -22.404 1.00 10.00 H new ATOM 0 HA SER A 17 -4.836 -5.943 -24.758 1.00 10.00 H new ATOM 0 HB2 SER A 17 -2.419 -5.208 -23.509 1.00 10.00 H new ATOM 0 HB3 SER A 17 -1.895 -5.934 -25.016 1.00 10.00 H new ATOM 0 HG SER A 17 -2.281 -3.666 -25.222 1.00 10.00 H new ATOM 257 N ASP A 18 -3.085 -8.715 -24.919 1.00 10.00 N ATOM 258 CA ASP A 18 -2.916 -9.964 -25.664 1.00 10.00 C ATOM 259 C ASP A 18 -4.223 -10.369 -26.335 1.00 10.00 C ATOM 260 O ASP A 18 -4.225 -10.759 -27.497 1.00 10.00 O ATOM 261 CB ASP A 18 -2.429 -11.080 -24.732 1.00 10.00 C ATOM 262 CG ASP A 18 -2.690 -12.501 -25.246 1.00 10.00 C ATOM 263 OD1 ASP A 18 -2.364 -12.769 -26.419 1.00 10.00 O ATOM 264 OD2 ASP A 18 -3.210 -13.314 -24.457 1.00 10.00 O ATOM 0 H ASP A 18 -2.750 -8.780 -23.958 1.00 10.00 H new ATOM 0 HA ASP A 18 -2.166 -9.803 -26.438 1.00 10.00 H new ATOM 0 HB2 ASP A 18 -1.358 -10.958 -24.569 1.00 10.00 H new ATOM 0 HB3 ASP A 18 -2.914 -10.964 -23.763 1.00 10.00 H new ATOM 269 N LYS A 19 -5.377 -10.156 -25.682 1.00 10.00 N ATOM 270 CA LYS A 19 -6.687 -10.434 -26.249 1.00 10.00 C ATOM 271 C LYS A 19 -6.941 -9.648 -27.530 1.00 10.00 C ATOM 272 O LYS A 19 -7.939 -9.890 -28.203 1.00 10.00 O ATOM 273 CB LYS A 19 -7.776 -10.194 -25.196 1.00 10.00 C ATOM 274 CG LYS A 19 -8.334 -11.493 -24.626 1.00 10.00 C ATOM 275 CD LYS A 19 -9.793 -11.639 -25.038 1.00 10.00 C ATOM 276 CE LYS A 19 -10.395 -12.865 -24.355 1.00 10.00 C ATOM 277 NZ LYS A 19 -11.562 -13.368 -25.118 1.00 10.00 N ATOM 0 H LYS A 19 -5.416 -9.781 -24.734 1.00 10.00 H new ATOM 0 HA LYS A 19 -6.716 -11.485 -26.536 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -7.366 -9.592 -24.385 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -8.587 -9.619 -25.642 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -7.755 -12.342 -24.990 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -8.250 -11.492 -23.539 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -10.351 -10.745 -24.761 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -9.868 -11.739 -26.121 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -9.642 -13.649 -24.274 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -10.700 -12.609 -23.340 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -11.957 -14.202 -24.638 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -12.287 -12.624 -25.174 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -11.262 -13.632 -26.078 1.00 10.00 H new ATOM 291 N GLY A 20 -6.093 -8.668 -27.825 1.00 10.00 N ATOM 292 CA GLY A 20 -6.138 -7.799 -28.985 1.00 10.00 C ATOM 293 C GLY A 20 -7.116 -6.654 -28.776 1.00 10.00 C ATOM 294 O GLY A 20 -7.564 -6.014 -29.723 1.00 10.00 O ATOM 0 H GLY A 20 -5.305 -8.449 -27.216 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -5.143 -7.400 -29.182 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -6.430 -8.375 -29.863 1.00 10.00 H new ATOM 298 N ASN A 21 -7.493 -6.414 -27.517 1.00 10.00 N ATOM 299 CA ASN A 21 -8.389 -5.341 -27.143 1.00 10.00 C ATOM 300 C ASN A 21 -7.660 -3.997 -27.085 1.00 10.00 C ATOM 301 O ASN A 21 -6.437 -3.899 -27.190 1.00 10.00 O ATOM 302 CB ASN A 21 -9.075 -5.671 -25.813 1.00 10.00 C ATOM 303 CG ASN A 21 -10.496 -6.147 -26.019 1.00 10.00 C ATOM 304 OD1 ASN A 21 -11.293 -5.569 -26.733 1.00 10.00 O ATOM 305 ND2 ASN A 21 -10.873 -7.184 -25.316 1.00 10.00 N ATOM 0 H ASN A 21 -7.174 -6.973 -26.726 1.00 10.00 H new ATOM 0 HA ASN A 21 -9.157 -5.248 -27.911 1.00 10.00 H new ATOM 0 HB2 ASN A 21 -8.506 -6.440 -25.291 1.00 10.00 H new ATOM 0 HB3 ASN A 21 -9.076 -4.787 -25.175 1.00 10.00 H new ATOM 0 HD21 ASN A 21 -11.838 -7.510 -25.366 1.00 10.00 H new ATOM 0 HD22 ASN A 21 -10.202 -7.666 -24.718 1.00 10.00 H new ATOM 312 N GLY A 22 -8.426 -2.941 -26.810 1.00 10.00 N ATOM 313 CA GLY A 22 -7.854 -1.619 -26.614 1.00 10.00 C ATOM 314 C GLY A 22 -7.244 -1.490 -25.232 1.00 10.00 C ATOM 315 O GLY A 22 -7.810 -1.974 -24.250 1.00 10.00 O ATOM 0 H GLY A 22 -9.441 -2.980 -26.719 1.00 10.00 H new ATOM 0 HA2 GLY A 22 -7.092 -1.433 -27.371 1.00 10.00 H new ATOM 0 HA3 GLY A 22 -8.626 -0.861 -26.747 1.00 10.00 H new ATOM 319 N PHE A 23 -6.129 -0.759 -25.151 1.00 10.00 N ATOM 320 CA PHE A 23 -5.440 -0.442 -23.910 1.00 10.00 C ATOM 321 C PHE A 23 -6.395 0.077 -22.841 1.00 10.00 C ATOM 322 O PHE A 23 -6.341 -0.417 -21.729 1.00 10.00 O ATOM 323 CB PHE A 23 -4.342 0.597 -24.181 1.00 10.00 C ATOM 324 CG PHE A 23 -4.848 2.012 -24.367 1.00 10.00 C ATOM 325 CD1 PHE A 23 -5.530 2.362 -25.542 1.00 10.00 C ATOM 326 CD2 PHE A 23 -4.763 2.942 -23.315 1.00 10.00 C ATOM 327 CE1 PHE A 23 -6.081 3.642 -25.686 1.00 10.00 C ATOM 328 CE2 PHE A 23 -5.303 4.228 -23.464 1.00 10.00 C ATOM 329 CZ PHE A 23 -5.957 4.580 -24.653 1.00 10.00 C ATOM 0 H PHE A 23 -5.673 -0.363 -25.973 1.00 10.00 H new ATOM 0 HA PHE A 23 -4.996 -1.363 -23.531 1.00 10.00 H new ATOM 0 HB2 PHE A 23 -3.634 0.584 -23.352 1.00 10.00 H new ATOM 0 HB3 PHE A 23 -3.792 0.301 -25.074 1.00 10.00 H new ATOM 0 HD1 PHE A 23 -5.631 1.641 -26.340 1.00 10.00 H new ATOM 0 HD2 PHE A 23 -4.280 2.665 -22.389 1.00 10.00 H new ATOM 0 HE1 PHE A 23 -6.602 3.906 -26.594 1.00 10.00 H new ATOM 0 HE2 PHE A 23 -5.215 4.947 -22.663 1.00 10.00 H new ATOM 0 HZ PHE A 23 -6.365 5.573 -24.772 1.00 10.00 H new ATOM 339 N THR A 24 -7.274 1.013 -23.199 1.00 10.00 N ATOM 340 CA THR A 24 -8.233 1.644 -22.301 1.00 10.00 C ATOM 341 C THR A 24 -9.147 0.625 -21.648 1.00 10.00 C ATOM 342 O THR A 24 -9.168 0.479 -20.434 1.00 10.00 O ATOM 343 CB THR A 24 -9.049 2.700 -23.072 1.00 10.00 C ATOM 344 OG1 THR A 24 -8.472 3.949 -22.814 1.00 10.00 O ATOM 345 CG2 THR A 24 -10.518 2.829 -22.655 1.00 10.00 C ATOM 0 H THR A 24 -7.338 1.362 -24.155 1.00 10.00 H new ATOM 0 HA THR A 24 -7.679 2.134 -21.500 1.00 10.00 H new ATOM 0 HB THR A 24 -9.031 2.383 -24.115 1.00 10.00 H new ATOM 0 HG1 THR A 24 -7.625 4.025 -23.302 1.00 10.00 H new ATOM 0 HG21 THR A 24 -11.001 3.598 -23.258 1.00 10.00 H new ATOM 0 HG22 THR A 24 -11.025 1.876 -22.808 1.00 10.00 H new ATOM 0 HG23 THR A 24 -10.574 3.105 -21.602 1.00 10.00 H new ATOM 353 N PHE A 25 -9.922 -0.081 -22.467 1.00 10.00 N ATOM 354 CA PHE A 25 -10.797 -1.133 -21.999 1.00 10.00 C ATOM 355 C PHE A 25 -10.022 -2.140 -21.165 1.00 10.00 C ATOM 356 O PHE A 25 -10.467 -2.523 -20.092 1.00 10.00 O ATOM 357 CB PHE A 25 -11.416 -1.824 -23.213 1.00 10.00 C ATOM 358 CG PHE A 25 -12.020 -3.174 -22.894 1.00 10.00 C ATOM 359 CD1 PHE A 25 -13.288 -3.264 -22.305 1.00 10.00 C ATOM 360 CD2 PHE A 25 -11.273 -4.341 -23.113 1.00 10.00 C ATOM 361 CE1 PHE A 25 -13.835 -4.521 -22.001 1.00 10.00 C ATOM 362 CE2 PHE A 25 -11.806 -5.596 -22.787 1.00 10.00 C ATOM 363 CZ PHE A 25 -13.100 -5.688 -22.259 1.00 10.00 C ATOM 0 H PHE A 25 -9.955 0.067 -23.476 1.00 10.00 H new ATOM 0 HA PHE A 25 -11.579 -0.706 -21.371 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -12.188 -1.180 -23.634 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -10.651 -1.949 -23.980 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -13.845 -2.366 -22.085 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -10.281 -4.272 -23.535 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -14.822 -4.590 -21.568 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -11.220 -6.490 -22.943 1.00 10.00 H new ATOM 0 HZ PHE A 25 -13.531 -6.656 -22.051 1.00 10.00 H new ATOM 373 N CYS A 26 -8.840 -2.529 -21.647 1.00 10.00 N ATOM 374 CA CYS A 26 -7.976 -3.415 -20.930 1.00 10.00 C ATOM 375 C CYS A 26 -7.578 -2.827 -19.596 1.00 10.00 C ATOM 376 O CYS A 26 -7.458 -3.570 -18.654 1.00 10.00 O ATOM 377 CB CYS A 26 -6.749 -3.768 -21.761 1.00 10.00 C ATOM 378 SG CYS A 26 -6.907 -5.450 -22.375 1.00 10.00 S ATOM 0 H CYS A 26 -8.471 -2.227 -22.549 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.527 -4.335 -20.736 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -6.648 -3.073 -22.595 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -5.847 -3.673 -21.156 1.00 10.00 H new ATOM 383 N GLU A 27 -7.355 -1.527 -19.509 1.00 10.00 N ATOM 384 CA GLU A 27 -7.029 -0.792 -18.300 1.00 10.00 C ATOM 385 C GLU A 27 -8.184 -0.804 -17.315 1.00 10.00 C ATOM 386 O GLU A 27 -8.090 -1.487 -16.307 1.00 10.00 O ATOM 387 CB GLU A 27 -6.638 0.661 -18.634 1.00 10.00 C ATOM 388 CG GLU A 27 -5.159 0.912 -18.364 1.00 10.00 C ATOM 389 CD GLU A 27 -4.845 2.350 -17.920 1.00 10.00 C ATOM 390 OE1 GLU A 27 -5.760 3.072 -17.465 1.00 10.00 O ATOM 391 OE2 GLU A 27 -3.663 2.722 -18.070 1.00 10.00 O ATOM 0 H GLU A 27 -7.399 -0.921 -20.329 1.00 10.00 H new ATOM 0 HA GLU A 27 -6.179 -1.290 -17.835 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -6.859 0.868 -19.681 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -7.240 1.348 -18.039 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -4.817 0.221 -17.593 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -4.591 0.688 -19.267 1.00 10.00 H new ATOM 398 N MET A 28 -9.302 -0.150 -17.656 1.00 10.00 N ATOM 399 CA MET A 28 -10.501 -0.090 -16.819 1.00 10.00 C ATOM 400 C MET A 28 -10.925 -1.483 -16.334 1.00 10.00 C ATOM 401 O MET A 28 -11.569 -1.639 -15.297 1.00 10.00 O ATOM 402 CB MET A 28 -11.653 0.513 -17.631 1.00 10.00 C ATOM 403 CG MET A 28 -12.737 1.082 -16.715 1.00 10.00 C ATOM 404 SD MET A 28 -14.259 1.513 -17.600 1.00 10.00 S ATOM 405 CE MET A 28 -15.145 -0.060 -17.458 1.00 10.00 C ATOM 0 H MET A 28 -9.397 0.359 -18.535 1.00 10.00 H new ATOM 0 HA MET A 28 -10.270 0.525 -15.949 1.00 10.00 H new ATOM 0 HB2 MET A 28 -11.271 1.301 -18.279 1.00 10.00 H new ATOM 0 HB3 MET A 28 -12.084 -0.251 -18.278 1.00 10.00 H new ATOM 0 HG2 MET A 28 -12.969 0.352 -15.939 1.00 10.00 H new ATOM 0 HG3 MET A 28 -12.352 1.969 -16.213 1.00 10.00 H new ATOM 0 HE1 MET A 28 -16.113 0.022 -17.952 1.00 10.00 H new ATOM 0 HE2 MET A 28 -14.562 -0.850 -17.931 1.00 10.00 H new ATOM 0 HE3 MET A 28 -15.294 -0.300 -16.405 1.00 10.00 H new ATOM 415 N LYS A 29 -10.581 -2.513 -17.118 1.00 10.00 N ATOM 416 CA LYS A 29 -10.793 -3.893 -16.754 1.00 10.00 C ATOM 417 C LYS A 29 -9.704 -4.394 -15.836 1.00 10.00 C ATOM 418 O LYS A 29 -10.061 -4.823 -14.762 1.00 10.00 O ATOM 419 CB LYS A 29 -10.950 -4.743 -18.008 1.00 10.00 C ATOM 420 CG LYS A 29 -11.811 -5.963 -17.706 1.00 10.00 C ATOM 421 CD LYS A 29 -11.142 -6.949 -16.737 1.00 10.00 C ATOM 422 CE LYS A 29 -11.216 -8.377 -17.251 1.00 10.00 C ATOM 423 NZ LYS A 29 -11.473 -9.319 -16.139 1.00 10.00 N ATOM 0 H LYS A 29 -10.143 -2.395 -18.032 1.00 10.00 H new ATOM 0 HA LYS A 29 -11.721 -3.974 -16.187 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -11.407 -4.153 -18.802 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -9.971 -5.059 -18.368 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -12.760 -5.634 -17.282 1.00 10.00 H new ATOM 0 HG3 LYS A 29 -12.040 -6.479 -18.639 1.00 10.00 H new ATOM 0 HD2 LYS A 29 -10.099 -6.667 -16.593 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -11.626 -6.887 -15.762 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -12.008 -8.460 -17.996 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -10.282 -8.639 -17.748 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 -11.770 -10.238 -16.524 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 -10.604 -9.442 -15.581 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -12.225 -8.939 -15.529 1.00 10.00 H new ATOM 437 N CYS A 30 -8.450 -4.444 -16.274 1.00 10.00 N ATOM 438 CA CYS A 30 -7.272 -4.825 -15.497 1.00 10.00 C ATOM 439 C CYS A 30 -7.270 -4.178 -14.105 1.00 10.00 C ATOM 440 O CYS A 30 -6.733 -4.746 -13.159 1.00 10.00 O ATOM 441 CB CYS A 30 -5.999 -4.406 -16.232 1.00 10.00 C ATOM 442 SG CYS A 30 -5.495 -5.425 -17.614 1.00 10.00 S ATOM 0 H CYS A 30 -8.213 -4.206 -17.237 1.00 10.00 H new ATOM 0 HA CYS A 30 -7.304 -5.908 -15.377 1.00 10.00 H new ATOM 0 HB2 CYS A 30 -6.135 -3.386 -16.593 1.00 10.00 H new ATOM 0 HB3 CYS A 30 -5.182 -4.383 -15.511 1.00 10.00 H new ATOM 0 HG CYS A 30 -4.993 -6.539 -17.171 1.00 10.00 H new ATOM 447 N ASP A 31 -7.899 -3.007 -14.004 1.00 10.00 N ATOM 448 CA ASP A 31 -8.106 -2.281 -12.766 1.00 10.00 C ATOM 449 C ASP A 31 -8.961 -3.108 -11.811 1.00 10.00 C ATOM 450 O ASP A 31 -8.542 -3.527 -10.737 1.00 10.00 O ATOM 451 CB ASP A 31 -8.800 -0.934 -13.072 1.00 10.00 C ATOM 452 CG ASP A 31 -8.447 0.160 -12.066 1.00 10.00 C ATOM 453 OD1 ASP A 31 -7.458 -0.020 -11.324 1.00 10.00 O ATOM 454 OD2 ASP A 31 -9.166 1.180 -12.069 1.00 10.00 O ATOM 0 H ASP A 31 -8.290 -2.527 -14.815 1.00 10.00 H new ATOM 0 HA ASP A 31 -7.143 -2.090 -12.293 1.00 10.00 H new ATOM 0 HB2 ASP A 31 -8.518 -0.605 -14.072 1.00 10.00 H new ATOM 0 HB3 ASP A 31 -9.880 -1.081 -13.077 1.00 10.00 H new ATOM 459 N THR A 32 -10.192 -3.387 -12.237 1.00 10.00 N ATOM 460 CA THR A 32 -11.108 -4.215 -11.466 1.00 10.00 C ATOM 461 C THR A 32 -10.720 -5.689 -11.535 1.00 10.00 C ATOM 462 O THR A 32 -11.209 -6.467 -10.738 1.00 10.00 O ATOM 463 CB THR A 32 -12.545 -3.973 -11.956 1.00 10.00 C ATOM 464 OG1 THR A 32 -13.128 -2.951 -11.181 1.00 10.00 O ATOM 465 CG2 THR A 32 -13.522 -5.128 -11.754 1.00 10.00 C ATOM 0 H THR A 32 -10.577 -3.047 -13.119 1.00 10.00 H new ATOM 0 HA THR A 32 -11.048 -3.933 -10.415 1.00 10.00 H new ATOM 0 HB THR A 32 -12.418 -3.772 -13.020 1.00 10.00 H new ATOM 0 HG1 THR A 32 -14.044 -2.790 -11.489 1.00 10.00 H new ATOM 0 HG21 THR A 32 -14.503 -4.846 -12.136 1.00 10.00 H new ATOM 0 HG22 THR A 32 -13.163 -6.006 -12.290 1.00 10.00 H new ATOM 0 HG23 THR A 32 -13.599 -5.358 -10.691 1.00 10.00 H new ATOM 473 N ASP A 33 -9.903 -6.113 -12.492 1.00 10.00 N ATOM 474 CA ASP A 33 -9.457 -7.479 -12.660 1.00 10.00 C ATOM 475 C ASP A 33 -8.776 -7.990 -11.391 1.00 10.00 C ATOM 476 O ASP A 33 -9.292 -8.890 -10.723 1.00 10.00 O ATOM 477 CB ASP A 33 -8.483 -7.588 -13.827 1.00 10.00 C ATOM 478 CG ASP A 33 -7.958 -9.000 -13.930 1.00 10.00 C ATOM 479 OD1 ASP A 33 -8.754 -9.850 -14.392 1.00 10.00 O ATOM 480 OD2 ASP A 33 -6.815 -9.228 -13.517 1.00 10.00 O ATOM 0 H ASP A 33 -9.521 -5.484 -13.198 1.00 10.00 H new ATOM 0 HA ASP A 33 -10.337 -8.089 -12.865 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -8.981 -7.308 -14.755 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -7.655 -6.893 -13.687 1.00 10.00 H new ATOM 485 N CYS A 34 -7.597 -7.429 -11.096 1.00 10.00 N ATOM 486 CA CYS A 34 -6.813 -7.768 -9.924 1.00 10.00 C ATOM 487 C CYS A 34 -7.430 -7.146 -8.665 1.00 10.00 C ATOM 488 O CYS A 34 -6.830 -6.322 -7.986 1.00 10.00 O ATOM 489 CB CYS A 34 -5.358 -7.329 -10.099 1.00 10.00 C ATOM 490 SG CYS A 34 -4.239 -8.372 -9.138 1.00 10.00 S ATOM 0 H CYS A 34 -7.162 -6.716 -11.681 1.00 10.00 H new ATOM 0 HA CYS A 34 -6.823 -8.851 -9.805 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -5.086 -7.375 -11.154 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -5.249 -6.290 -9.787 1.00 10.00 H new ATOM 495 N SER A 35 -8.643 -7.569 -8.355 1.00 10.00 N ATOM 496 CA SER A 35 -9.476 -7.093 -7.269 1.00 10.00 C ATOM 497 C SER A 35 -10.904 -7.621 -7.413 1.00 10.00 C ATOM 498 O SER A 35 -11.420 -7.896 -8.488 1.00 10.00 O ATOM 499 CB SER A 35 -9.501 -5.561 -7.171 1.00 10.00 C ATOM 500 OG SER A 35 -8.723 -5.160 -6.058 1.00 10.00 O ATOM 0 H SER A 35 -9.101 -8.304 -8.893 1.00 10.00 H new ATOM 0 HA SER A 35 -9.033 -7.475 -6.349 1.00 10.00 H new ATOM 0 HB2 SER A 35 -9.107 -5.118 -8.086 1.00 10.00 H new ATOM 0 HB3 SER A 35 -10.526 -5.207 -7.062 1.00 10.00 H new ATOM 0 HG SER A 35 -7.777 -5.345 -6.236 1.00 10.00 H new ATOM 506 N VAL A 36 -11.608 -7.744 -6.301 1.00 10.00 N ATOM 507 CA VAL A 36 -13.012 -8.124 -6.277 1.00 10.00 C ATOM 508 C VAL A 36 -13.874 -6.896 -6.585 1.00 10.00 C ATOM 509 O VAL A 36 -13.374 -5.805 -6.856 1.00 10.00 O ATOM 510 CB VAL A 36 -13.393 -8.812 -4.954 1.00 10.00 C ATOM 511 CG1 VAL A 36 -14.585 -9.777 -5.138 1.00 10.00 C ATOM 512 CG2 VAL A 36 -12.185 -9.531 -4.319 1.00 10.00 C ATOM 0 H VAL A 36 -11.215 -7.580 -5.374 1.00 10.00 H new ATOM 0 HA VAL A 36 -13.199 -8.867 -7.052 1.00 10.00 H new ATOM 0 HB VAL A 36 -13.708 -8.029 -4.264 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -14.826 -10.244 -4.183 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -15.451 -9.221 -5.498 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -14.321 -10.547 -5.863 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -12.492 -10.005 -3.387 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -11.811 -10.290 -5.006 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -11.397 -8.807 -4.115 1.00 10.00 H new ATOM 522 N LYS A 37 -15.191 -7.063 -6.547 1.00 10.00 N ATOM 523 CA LYS A 37 -16.164 -6.002 -6.790 1.00 10.00 C ATOM 524 C LYS A 37 -17.564 -6.499 -6.453 1.00 10.00 C ATOM 525 O LYS A 37 -17.721 -7.572 -5.876 1.00 10.00 O ATOM 526 CB LYS A 37 -16.051 -5.512 -8.246 1.00 10.00 C ATOM 527 CG LYS A 37 -16.268 -6.656 -9.248 1.00 10.00 C ATOM 528 CD LYS A 37 -16.939 -6.118 -10.510 1.00 10.00 C ATOM 529 CE LYS A 37 -16.361 -6.780 -11.757 1.00 10.00 C ATOM 530 NZ LYS A 37 -17.174 -7.942 -12.178 1.00 10.00 N ATOM 0 H LYS A 37 -15.624 -7.963 -6.341 1.00 10.00 H new ATOM 0 HA LYS A 37 -15.956 -5.150 -6.143 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -16.786 -4.728 -8.424 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -15.068 -5.069 -8.406 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -15.313 -7.116 -9.501 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -16.887 -7.433 -8.799 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -18.013 -6.299 -10.461 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -16.800 -5.038 -10.569 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -16.315 -6.053 -12.568 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -15.339 -7.102 -11.559 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -16.754 -8.370 -13.028 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -17.197 -8.645 -11.412 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -18.143 -7.629 -12.390 1.00 10.00 H new ATOM 544 N ASP A 38 -18.567 -5.745 -6.881 1.00 10.00 N ATOM 545 CA ASP A 38 -19.968 -6.075 -6.693 1.00 10.00 C ATOM 546 C ASP A 38 -20.576 -6.475 -8.035 1.00 10.00 C ATOM 547 O ASP A 38 -20.591 -5.693 -8.990 1.00 10.00 O ATOM 548 CB ASP A 38 -20.717 -4.876 -6.083 1.00 10.00 C ATOM 549 CG ASP A 38 -21.721 -5.253 -4.989 1.00 10.00 C ATOM 550 OD1 ASP A 38 -21.850 -6.461 -4.697 1.00 10.00 O ATOM 551 OD2 ASP A 38 -22.414 -4.328 -4.514 1.00 10.00 O ATOM 0 H ASP A 38 -18.423 -4.867 -7.380 1.00 10.00 H new ATOM 0 HA ASP A 38 -20.059 -6.914 -6.003 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -19.988 -4.180 -5.667 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -21.244 -4.349 -6.878 1.00 10.00 H new ATOM 556 N VAL A 39 -21.035 -7.719 -8.137 1.00 10.00 N ATOM 557 CA VAL A 39 -21.669 -8.242 -9.343 1.00 10.00 C ATOM 558 C VAL A 39 -23.081 -8.683 -9.022 1.00 10.00 C ATOM 559 O VAL A 39 -23.407 -9.845 -9.209 1.00 10.00 O ATOM 560 CB VAL A 39 -20.804 -9.351 -9.969 1.00 10.00 C ATOM 561 CG1 VAL A 39 -20.818 -10.680 -9.184 1.00 10.00 C ATOM 562 CG2 VAL A 39 -21.180 -9.520 -11.453 1.00 10.00 C ATOM 0 H VAL A 39 -20.977 -8.398 -7.378 1.00 10.00 H new ATOM 0 HA VAL A 39 -21.745 -7.460 -10.099 1.00 10.00 H new ATOM 0 HB VAL A 39 -19.764 -9.031 -9.907 1.00 10.00 H new ATOM 0 HG11 VAL A 39 -20.185 -11.408 -9.690 1.00 10.00 H new ATOM 0 HG12 VAL A 39 -20.441 -10.511 -8.175 1.00 10.00 H new ATOM 0 HG13 VAL A 39 -21.838 -11.061 -9.131 1.00 10.00 H new ATOM 0 HG21 VAL A 39 -20.568 -10.305 -11.896 1.00 10.00 H new ATOM 0 HG22 VAL A 39 -22.232 -9.792 -11.533 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -21.006 -8.583 -11.981 1.00 10.00 H new ATOM 572 N LYS A 40 -23.909 -7.772 -8.491 1.00 10.00 N ATOM 573 CA LYS A 40 -25.284 -8.083 -8.106 1.00 10.00 C ATOM 574 C LYS A 40 -25.986 -8.912 -9.192 1.00 10.00 C ATOM 575 O LYS A 40 -26.564 -8.357 -10.120 1.00 10.00 O ATOM 576 CB LYS A 40 -26.053 -6.801 -7.780 1.00 10.00 C ATOM 577 CG LYS A 40 -25.567 -6.186 -6.459 1.00 10.00 C ATOM 578 CD LYS A 40 -26.627 -5.255 -5.871 1.00 10.00 C ATOM 579 CE LYS A 40 -26.594 -3.891 -6.564 1.00 10.00 C ATOM 580 NZ LYS A 40 -27.947 -3.290 -6.624 1.00 10.00 N ATOM 0 H LYS A 40 -23.641 -6.803 -8.319 1.00 10.00 H new ATOM 0 HA LYS A 40 -25.262 -8.692 -7.203 1.00 10.00 H new ATOM 0 HB2 LYS A 40 -25.926 -6.081 -8.589 1.00 10.00 H new ATOM 0 HB3 LYS A 40 -27.119 -7.020 -7.713 1.00 10.00 H new ATOM 0 HG2 LYS A 40 -25.337 -6.978 -5.747 1.00 10.00 H new ATOM 0 HG3 LYS A 40 -24.644 -5.632 -6.629 1.00 10.00 H new ATOM 0 HD2 LYS A 40 -27.614 -5.702 -5.985 1.00 10.00 H new ATOM 0 HD3 LYS A 40 -26.455 -5.130 -4.802 1.00 10.00 H new ATOM 0 HE2 LYS A 40 -25.920 -3.223 -6.028 1.00 10.00 H new ATOM 0 HE3 LYS A 40 -26.197 -4.002 -7.573 1.00 10.00 H new ATOM 0 HZ1 LYS A 40 -27.896 -2.366 -7.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 40 -28.582 -3.918 -7.156 1.00 10.00 H new ATOM 0 HZ3 LYS A 40 -28.314 -3.164 -5.659 1.00 10.00 H new ATOM 594 N GLU A 41 -25.994 -10.232 -9.017 1.00 10.00 N ATOM 595 CA GLU A 41 -26.500 -11.219 -9.977 1.00 10.00 C ATOM 596 C GLU A 41 -27.885 -11.666 -9.526 1.00 10.00 C ATOM 597 O GLU A 41 -28.307 -12.811 -9.654 1.00 10.00 O ATOM 598 CB GLU A 41 -25.514 -12.388 -10.152 1.00 10.00 C ATOM 599 CG GLU A 41 -24.587 -12.175 -11.355 1.00 10.00 C ATOM 600 CD GLU A 41 -25.059 -12.991 -12.565 1.00 10.00 C ATOM 601 OE1 GLU A 41 -26.185 -12.704 -13.032 1.00 10.00 O ATOM 602 OE2 GLU A 41 -24.288 -13.870 -13.015 1.00 10.00 O ATOM 0 H GLU A 41 -25.633 -10.665 -8.167 1.00 10.00 H new ATOM 0 HA GLU A 41 -26.590 -10.770 -10.966 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -24.916 -12.498 -9.247 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -26.070 -13.316 -10.281 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -24.559 -11.117 -11.614 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -23.570 -12.465 -11.091 1.00 10.00 H new ATOM 609 N LYS A 42 -28.618 -10.711 -8.944 1.00 10.00 N ATOM 610 CA LYS A 42 -29.976 -10.913 -8.466 1.00 10.00 C ATOM 611 C LYS A 42 -30.969 -10.216 -9.394 1.00 10.00 C ATOM 612 O LYS A 42 -31.916 -9.589 -8.918 1.00 10.00 O ATOM 613 CB LYS A 42 -30.078 -10.502 -6.988 1.00 10.00 C ATOM 614 CG LYS A 42 -31.017 -11.468 -6.246 1.00 10.00 C ATOM 615 CD LYS A 42 -32.214 -10.738 -5.637 1.00 10.00 C ATOM 616 CE LYS A 42 -33.390 -11.697 -5.440 1.00 10.00 C ATOM 617 NZ LYS A 42 -34.618 -10.956 -5.052 1.00 10.00 N ATOM 0 H LYS A 42 -28.272 -9.763 -8.793 1.00 10.00 H new ATOM 0 HA LYS A 42 -30.243 -11.969 -8.497 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -29.090 -10.514 -6.528 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -30.454 -9.482 -6.909 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -31.371 -12.234 -6.936 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -30.464 -11.980 -5.458 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -31.931 -10.301 -4.680 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -32.514 -9.916 -6.287 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -33.571 -12.252 -6.361 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -33.143 -12.428 -4.671 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -35.247 -11.585 -4.513 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -34.359 -10.138 -4.464 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -35.109 -10.625 -5.907 1.00 10.00 H new ATOM 631 N LEU A 43 -30.666 -10.244 -10.699 1.00 10.00 N ATOM 632 CA LEU A 43 -31.512 -9.682 -11.738 1.00 10.00 C ATOM 633 C LEU A 43 -32.954 -10.125 -11.538 1.00 10.00 C ATOM 634 O LEU A 43 -33.225 -11.191 -10.987 1.00 10.00 O ATOM 635 CB LEU A 43 -30.993 -10.092 -13.129 1.00 10.00 C ATOM 636 CG LEU A 43 -30.895 -8.919 -14.122 1.00 10.00 C ATOM 637 CD1 LEU A 43 -29.725 -9.110 -15.100 1.00 10.00 C ATOM 638 CD2 LEU A 43 -32.216 -8.678 -14.880 1.00 10.00 C ATOM 0 H LEU A 43 -29.810 -10.667 -11.059 1.00 10.00 H new ATOM 0 HA LEU A 43 -31.479 -8.594 -11.673 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -30.009 -10.548 -13.020 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -31.653 -10.854 -13.544 1.00 10.00 H new ATOM 0 HG LEU A 43 -30.700 -8.025 -13.530 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -29.684 -8.265 -15.787 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -28.791 -9.170 -14.542 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -29.870 -10.031 -15.665 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -32.094 -7.841 -15.567 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -32.481 -9.573 -15.442 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -33.008 -8.449 -14.167 1.00 10.00 H new ATOM 650 N GLU A 44 -33.880 -9.313 -12.019 1.00 10.00 N ATOM 651 CA GLU A 44 -35.293 -9.589 -11.845 1.00 10.00 C ATOM 652 C GLU A 44 -36.089 -8.752 -12.837 1.00 10.00 C ATOM 653 O GLU A 44 -35.892 -7.540 -12.949 1.00 10.00 O ATOM 654 CB GLU A 44 -35.729 -9.312 -10.391 1.00 10.00 C ATOM 655 CG GLU A 44 -36.348 -10.569 -9.770 1.00 10.00 C ATOM 656 CD GLU A 44 -37.168 -10.250 -8.516 1.00 10.00 C ATOM 657 OE1 GLU A 44 -36.559 -9.778 -7.516 1.00 10.00 O ATOM 658 OE2 GLU A 44 -38.382 -10.551 -8.541 1.00 10.00 O ATOM 0 H GLU A 44 -33.677 -8.456 -12.534 1.00 10.00 H new ATOM 0 HA GLU A 44 -35.487 -10.644 -12.041 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -34.870 -8.993 -9.801 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -36.451 -8.495 -10.370 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -36.987 -11.059 -10.505 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -35.557 -11.274 -9.515 1.00 10.00 H new ATOM 665 N ASN A 45 -36.940 -9.422 -13.613 1.00 10.00 N ATOM 666 CA ASN A 45 -37.827 -8.732 -14.531 1.00 10.00 C ATOM 667 C ASN A 45 -38.866 -7.910 -13.768 1.00 10.00 C ATOM 668 O ASN A 45 -39.072 -8.062 -12.567 1.00 10.00 O ATOM 669 CB ASN A 45 -38.509 -9.749 -15.459 1.00 10.00 C ATOM 670 CG ASN A 45 -37.895 -9.814 -16.839 1.00 10.00 C ATOM 671 OD1 ASN A 45 -37.101 -8.997 -17.270 1.00 10.00 O ATOM 672 ND2 ASN A 45 -38.313 -10.795 -17.600 1.00 10.00 N ATOM 0 H ASN A 45 -37.029 -10.438 -13.620 1.00 10.00 H new ATOM 0 HA ASN A 45 -37.239 -8.043 -15.137 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -38.459 -10.737 -15.001 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -39.565 -9.493 -15.551 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -37.973 -10.877 -18.558 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -38.978 -11.477 -17.234 1.00 10.00 H new ATOM 679 N TYR A 46 -39.585 -7.077 -14.510 1.00 10.00 N ATOM 680 CA TYR A 46 -40.618 -6.219 -13.969 1.00 10.00 C ATOM 681 C TYR A 46 -41.873 -6.366 -14.815 1.00 10.00 C ATOM 682 O TYR A 46 -41.791 -6.510 -16.038 1.00 10.00 O ATOM 683 CB TYR A 46 -40.113 -4.777 -13.997 1.00 10.00 C ATOM 684 CG TYR A 46 -40.157 -4.149 -15.379 1.00 10.00 C ATOM 685 CD1 TYR A 46 -39.119 -4.378 -16.297 1.00 10.00 C ATOM 686 CD2 TYR A 46 -41.279 -3.396 -15.771 1.00 10.00 C ATOM 687 CE1 TYR A 46 -39.176 -3.826 -17.588 1.00 10.00 C ATOM 688 CE2 TYR A 46 -41.349 -2.841 -17.062 1.00 10.00 C ATOM 689 CZ TYR A 46 -40.290 -3.049 -17.967 1.00 10.00 C ATOM 690 OH TYR A 46 -40.338 -2.488 -19.201 1.00 10.00 O ATOM 0 H TYR A 46 -39.461 -6.981 -15.518 1.00 10.00 H new ATOM 0 HA TYR A 46 -40.855 -6.495 -12.941 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -40.713 -4.176 -13.314 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -39.088 -4.752 -13.627 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -38.272 -4.982 -16.009 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -42.092 -3.243 -15.076 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -38.370 -3.996 -18.287 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -42.210 -2.259 -17.357 1.00 10.00 H new ATOM 0 HH TYR A 46 -41.174 -1.986 -19.300 1.00 10.00 H new ATOM 700 N LYS A 47 -43.035 -6.318 -14.158 1.00 10.00 N ATOM 701 CA LYS A 47 -44.362 -6.447 -14.761 1.00 10.00 C ATOM 702 C LYS A 47 -45.447 -6.585 -13.705 1.00 10.00 C ATOM 703 O LYS A 47 -46.331 -5.730 -13.696 1.00 10.00 O ATOM 704 CB LYS A 47 -44.401 -7.629 -15.753 1.00 10.00 C ATOM 705 CG LYS A 47 -44.376 -7.139 -17.202 1.00 10.00 C ATOM 706 CD LYS A 47 -45.779 -7.174 -17.810 1.00 10.00 C ATOM 707 CE LYS A 47 -46.000 -5.935 -18.677 1.00 10.00 C ATOM 708 NZ LYS A 47 -46.231 -6.303 -20.091 1.00 10.00 N ATOM 0 H LYS A 47 -43.077 -6.182 -13.148 1.00 10.00 H new ATOM 0 HA LYS A 47 -44.562 -5.530 -15.315 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -43.549 -8.285 -15.574 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -45.301 -8.220 -15.582 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -43.983 -6.123 -17.241 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -43.704 -7.763 -17.791 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -45.903 -8.075 -18.410 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -46.527 -7.213 -17.018 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -46.855 -5.373 -18.301 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -45.132 -5.280 -18.607 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -46.378 -5.441 -20.654 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -45.404 -6.818 -20.455 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -47.074 -6.909 -20.159 1.00 10.00 H new ATOM 722 N PRO A 48 -45.387 -7.611 -12.832 1.00 10.00 N ATOM 723 CA PRO A 48 -46.336 -7.804 -11.741 1.00 10.00 C ATOM 724 C PRO A 48 -46.077 -6.797 -10.609 1.00 10.00 C ATOM 725 O PRO A 48 -45.748 -7.176 -9.492 1.00 10.00 O ATOM 726 CB PRO A 48 -46.168 -9.265 -11.299 1.00 10.00 C ATOM 727 CG PRO A 48 -44.776 -9.679 -11.763 1.00 10.00 C ATOM 728 CD PRO A 48 -44.346 -8.639 -12.778 1.00 10.00 C ATOM 0 HA PRO A 48 -47.366 -7.622 -12.048 1.00 10.00 H new ATOM 0 HB2 PRO A 48 -46.265 -9.360 -10.217 1.00 10.00 H new ATOM 0 HB3 PRO A 48 -46.934 -9.899 -11.745 1.00 10.00 H new ATOM 0 HG2 PRO A 48 -44.081 -9.716 -10.925 1.00 10.00 H new ATOM 0 HG3 PRO A 48 -44.793 -10.674 -12.208 1.00 10.00 H new ATOM 0 HD2 PRO A 48 -43.390 -8.200 -12.494 1.00 10.00 H new ATOM 0 HD3 PRO A 48 -44.208 -9.096 -13.758 1.00 10.00 H new ATOM 736 N LYS A 49 -46.136 -5.494 -10.929 1.00 10.00 N ATOM 737 CA LYS A 49 -45.897 -4.412 -9.979 1.00 10.00 C ATOM 738 C LYS A 49 -46.612 -4.660 -8.648 1.00 10.00 C ATOM 739 O LYS A 49 -45.953 -4.804 -7.625 1.00 10.00 O ATOM 740 CB LYS A 49 -46.269 -3.066 -10.623 1.00 10.00 C ATOM 741 CG LYS A 49 -45.429 -1.928 -10.041 1.00 10.00 C ATOM 742 CD LYS A 49 -45.930 -1.497 -8.653 1.00 10.00 C ATOM 743 CE LYS A 49 -45.802 0.018 -8.485 1.00 10.00 C ATOM 744 NZ LYS A 49 -44.684 0.368 -7.580 1.00 10.00 N ATOM 0 H LYS A 49 -46.355 -5.165 -11.870 1.00 10.00 H new ATOM 0 HA LYS A 49 -44.835 -4.378 -9.735 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -46.117 -3.120 -11.701 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -47.327 -2.861 -10.460 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -44.389 -2.245 -9.969 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -45.456 -1.074 -10.718 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -46.970 -1.796 -8.526 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -45.355 -2.005 -7.878 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -45.643 0.481 -9.459 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -46.733 0.422 -8.088 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -44.624 1.402 -7.487 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -44.849 -0.055 -6.644 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -43.793 0.003 -7.972 1.00 10.00 H new ATOM 758 N ASN A 50 -47.942 -4.583 -8.684 1.00 10.00 N ATOM 759 CA ASN A 50 -48.828 -4.940 -7.577 1.00 10.00 C ATOM 760 C ASN A 50 -49.399 -6.351 -7.780 1.00 10.00 C ATOM 761 O ASN A 50 -49.190 -7.177 -6.872 1.00 10.00 O ATOM 762 CB ASN A 50 -49.957 -3.901 -7.478 1.00 10.00 C ATOM 763 CG ASN A 50 -49.461 -2.533 -7.061 1.00 10.00 C ATOM 764 OD1 ASN A 50 -48.780 -2.317 -6.072 1.00 10.00 O ATOM 765 ND2 ASN A 50 -49.781 -1.530 -7.842 1.00 10.00 N ATOM 766 OXT ASN A 50 -50.058 -6.547 -8.827 1.00 10.00 O ATOM 0 H ASN A 50 -48.448 -4.261 -9.509 1.00 10.00 H new ATOM 0 HA ASN A 50 -48.263 -4.941 -6.645 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -50.458 -3.822 -8.443 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -50.701 -4.247 -6.760 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -49.461 -0.588 -7.619 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -50.350 -1.692 -8.673 1.00 10.00 H new TER 773 ASN A 50