USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 480 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 211 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 213 SER OG : rot 80:sc= 0.257 USER MOD Single : A 153 HIS : no HD1:sc= -0.765 K(o=-0.76,f=-0.14) USER MOD Single : A 154 MET CE :methyl -164:sc= -0.0716 (180deg=-0.536) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 146:sc= -0.346 (180deg=-1.49!) USER MOD Single : A 160 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 166 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot -75:sc= 0.144 USER MOD Single : A 185 ASN : amide:sc= -1.36! K(o=-1.4!,f=-2.4) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.012) USER MOD Single : A 195 GLN : amide:sc= -2.12 K(o=-2.1,f=-2.9!) USER MOD Single : A 197 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.3!) USER MOD Single : A 205 SER OG : rot -170:sc= 0.0283 USER MOD Single : A 206 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.2!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -5.09! C(o=-5.1!,f=-12!) USER MOD Single : A 214 ASN : amide:sc= -0.91 K(o=-0.91,f=0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -17.148 5.867 1.909 1.00 0.00 N ATOM 2 CA HIS A 153 -17.959 6.826 1.115 1.00 0.00 C ATOM 3 C HIS A 153 -17.318 7.100 -0.241 1.00 0.00 C ATOM 4 O HIS A 153 -17.327 8.232 -0.725 1.00 0.00 O ATOM 5 CB HIS A 153 -18.089 8.127 1.911 1.00 0.00 C ATOM 6 CG HIS A 153 -16.783 8.649 2.420 1.00 0.00 C ATOM 7 ND1 HIS A 153 -16.220 9.828 1.981 1.00 0.00 N ATOM 8 CD2 HIS A 153 -15.927 8.147 3.341 1.00 0.00 C ATOM 9 CE1 HIS A 153 -15.075 10.029 2.608 1.00 0.00 C ATOM 10 NE2 HIS A 153 -14.874 9.023 3.437 1.00 0.00 N ATOM 0 HA HIS A 153 -18.944 6.397 0.931 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -18.553 8.885 1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -18.759 7.962 2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -16.050 7.229 3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -14.416 10.873 2.466 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -14.067 8.913 4.050 1.00 0.00 H new ATOM 21 N MET A 154 -16.761 6.058 -0.849 1.00 0.00 N ATOM 22 CA MET A 154 -16.113 6.185 -2.149 1.00 0.00 C ATOM 23 C MET A 154 -14.920 7.132 -2.075 1.00 0.00 C ATOM 24 O MET A 154 -15.072 8.313 -1.768 1.00 0.00 O ATOM 25 CB MET A 154 -17.113 6.687 -3.195 1.00 0.00 C ATOM 26 CG MET A 154 -18.459 5.983 -3.136 1.00 0.00 C ATOM 27 SD MET A 154 -19.467 6.292 -4.598 1.00 0.00 S ATOM 28 CE MET A 154 -19.248 8.059 -4.795 1.00 0.00 C ATOM 0 H MET A 154 -16.745 5.115 -0.461 1.00 0.00 H new ATOM 0 HA MET A 154 -15.753 5.199 -2.443 1.00 0.00 H new ATOM 0 HB2 MET A 154 -17.266 7.757 -3.056 1.00 0.00 H new ATOM 0 HB3 MET A 154 -16.685 6.553 -4.189 1.00 0.00 H new ATOM 0 HG2 MET A 154 -18.299 4.910 -3.029 1.00 0.00 H new ATOM 0 HG3 MET A 154 -19.000 6.314 -2.250 1.00 0.00 H new ATOM 0 HE1 MET A 154 -20.015 8.448 -5.465 1.00 0.00 H new ATOM 0 HE2 MET A 154 -19.333 8.547 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 154 -18.263 8.259 -5.216 1.00 0.00 H new ATOM 38 N GLU A 155 -13.734 6.603 -2.357 1.00 0.00 N ATOM 39 CA GLU A 155 -12.516 7.402 -2.321 1.00 0.00 C ATOM 40 C GLU A 155 -11.397 6.725 -3.108 1.00 0.00 C ATOM 41 O GLU A 155 -11.114 5.542 -2.910 1.00 0.00 O ATOM 42 CB GLU A 155 -12.070 7.631 -0.876 1.00 0.00 C ATOM 43 CG GLU A 155 -11.694 6.350 -0.147 1.00 0.00 C ATOM 44 CD GLU A 155 -12.185 6.332 1.288 1.00 0.00 C ATOM 45 OE1 GLU A 155 -11.642 7.095 2.112 1.00 0.00 O ATOM 46 OE2 GLU A 155 -13.115 5.552 1.586 1.00 0.00 O ATOM 0 H GLU A 155 -13.591 5.626 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 155 -12.732 8.365 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -11.215 8.307 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -12.872 8.128 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -12.111 5.496 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -10.610 6.234 -0.158 1.00 0.00 H new ATOM 53 N THR A 156 -10.765 7.480 -4.000 1.00 0.00 N ATOM 54 CA THR A 156 -9.680 6.954 -4.816 1.00 0.00 C ATOM 55 C THR A 156 -8.338 7.112 -4.108 1.00 0.00 C ATOM 56 O THR A 156 -7.812 8.219 -3.992 1.00 0.00 O ATOM 57 CB THR A 156 -9.643 7.665 -6.162 1.00 0.00 C ATOM 58 OG1 THR A 156 -10.935 8.122 -6.524 1.00 0.00 O ATOM 59 CG2 THR A 156 -9.130 6.794 -7.288 1.00 0.00 C ATOM 0 H THR A 156 -10.987 8.460 -4.176 1.00 0.00 H new ATOM 0 HA THR A 156 -9.861 5.891 -4.976 1.00 0.00 H new ATOM 0 HB THR A 156 -8.953 8.498 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 156 -10.890 8.577 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 156 -9.130 7.363 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 156 -8.115 6.468 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 156 -9.775 5.922 -7.396 1.00 0.00 H new ATOM 67 N LYS A 157 -7.789 5.997 -3.637 1.00 0.00 N ATOM 68 CA LYS A 157 -6.509 6.011 -2.942 1.00 0.00 C ATOM 69 C LYS A 157 -5.654 4.814 -3.347 1.00 0.00 C ATOM 70 O LYS A 157 -4.982 4.206 -2.516 1.00 0.00 O ATOM 71 CB LYS A 157 -6.728 6.006 -1.427 1.00 0.00 C ATOM 72 CG LYS A 157 -7.795 6.984 -0.965 1.00 0.00 C ATOM 73 CD LYS A 157 -7.276 8.412 -0.955 1.00 0.00 C ATOM 74 CE LYS A 157 -7.810 9.190 0.238 1.00 0.00 C ATOM 75 NZ LYS A 157 -7.590 8.464 1.518 1.00 0.00 N ATOM 0 H LYS A 157 -8.211 5.073 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 157 -5.982 6.922 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -7.007 5.001 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.787 6.246 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -8.662 6.916 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -8.131 6.711 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.186 8.404 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -7.568 8.913 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.322 10.163 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -8.876 9.374 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -7.408 9.149 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.436 7.905 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.772 7.830 1.421 1.00 0.00 H new ATOM 89 N PHE A 158 -5.685 4.482 -4.634 1.00 0.00 N ATOM 90 CA PHE A 158 -4.915 3.358 -5.153 1.00 0.00 C ATOM 91 C PHE A 158 -3.460 3.755 -5.382 1.00 0.00 C ATOM 92 O PHE A 158 -3.176 4.841 -5.888 1.00 0.00 O ATOM 93 CB PHE A 158 -5.528 2.850 -6.458 1.00 0.00 C ATOM 94 CG PHE A 158 -7.005 2.585 -6.366 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.481 1.482 -5.675 1.00 0.00 C ATOM 96 CD2 PHE A 158 -7.914 3.439 -6.967 1.00 0.00 C ATOM 97 CE1 PHE A 158 -8.839 1.236 -5.589 1.00 0.00 C ATOM 98 CE2 PHE A 158 -9.274 3.197 -6.883 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.736 2.094 -6.192 1.00 0.00 C ATOM 0 H PHE A 158 -6.235 4.976 -5.336 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.943 2.559 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.347 3.583 -7.244 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -5.020 1.932 -6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -6.784 0.808 -5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -7.558 4.304 -7.507 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -9.198 0.372 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -9.973 3.870 -7.357 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.797 1.903 -6.124 1.00 0.00 H new ATOM 109 N VAL A 159 -2.544 2.869 -5.006 1.00 0.00 N ATOM 110 CA VAL A 159 -1.119 3.128 -5.172 1.00 0.00 C ATOM 111 C VAL A 159 -0.435 1.984 -5.911 1.00 0.00 C ATOM 112 O VAL A 159 -0.920 0.853 -5.911 1.00 0.00 O ATOM 113 CB VAL A 159 -0.421 3.329 -3.812 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.761 4.695 -3.236 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.809 2.222 -2.842 1.00 0.00 C ATOM 0 H VAL A 159 -2.763 1.966 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.032 4.043 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 159 0.657 3.282 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.260 4.820 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.428 5.473 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.839 4.772 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.306 2.381 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.888 2.233 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.511 1.257 -3.253 1.00 0.00 H new ATOM 125 N GLN A 160 0.695 2.287 -6.543 1.00 0.00 N ATOM 126 CA GLN A 160 1.447 1.283 -7.286 1.00 0.00 C ATOM 127 C GLN A 160 2.804 1.036 -6.634 1.00 0.00 C ATOM 128 O GLN A 160 3.654 1.927 -6.588 1.00 0.00 O ATOM 129 CB GLN A 160 1.638 1.729 -8.737 1.00 0.00 C ATOM 130 CG GLN A 160 1.585 0.585 -9.736 1.00 0.00 C ATOM 131 CD GLN A 160 2.463 0.829 -10.949 1.00 0.00 C ATOM 132 OE1 GLN A 160 1.970 0.969 -12.068 1.00 0.00 O ATOM 133 NE2 GLN A 160 3.772 0.879 -10.731 1.00 0.00 N ATOM 0 H GLN A 160 1.109 3.219 -6.555 1.00 0.00 H new ATOM 0 HA GLN A 160 0.880 0.352 -7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.867 2.457 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.598 2.237 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.898 -0.336 -9.245 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.555 0.439 -10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.137 0.758 -9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 160 4.413 1.039 -11.508 1.00 0.00 H new ATOM 142 N ALA A 161 2.996 -0.174 -6.126 1.00 0.00 N ATOM 143 CA ALA A 161 4.241 -0.540 -5.468 1.00 0.00 C ATOM 144 C ALA A 161 5.402 -0.590 -6.456 1.00 0.00 C ATOM 145 O ALA A 161 5.201 -0.765 -7.657 1.00 0.00 O ATOM 146 CB ALA A 161 4.089 -1.882 -4.770 1.00 0.00 C ATOM 0 H ALA A 161 2.302 -0.921 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 161 4.466 0.227 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.027 -2.146 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.297 -1.817 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.834 -2.647 -5.504 1.00 0.00 H new ATOM 152 N LEU A 162 6.617 -0.447 -5.938 1.00 0.00 N ATOM 153 CA LEU A 162 7.814 -0.490 -6.773 1.00 0.00 C ATOM 154 C LEU A 162 8.830 -1.484 -6.213 1.00 0.00 C ATOM 155 O LEU A 162 10.017 -1.418 -6.536 1.00 0.00 O ATOM 156 CB LEU A 162 8.446 0.899 -6.882 1.00 0.00 C ATOM 157 CG LEU A 162 8.485 1.689 -5.576 1.00 0.00 C ATOM 158 CD1 LEU A 162 9.914 2.080 -5.225 1.00 0.00 C ATOM 159 CD2 LEU A 162 7.601 2.922 -5.671 1.00 0.00 C ATOM 0 H LEU A 162 6.800 -0.300 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 162 7.517 -0.819 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.464 0.791 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 162 7.894 1.477 -7.623 1.00 0.00 H new ATOM 0 HG LEU A 162 8.101 1.051 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 162 9.918 2.642 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.520 1.181 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.328 2.697 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.642 3.472 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 162 7.953 3.561 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.573 2.618 -5.869 1.00 0.00 H new ATOM 171 N PHE A 163 8.357 -2.402 -5.376 1.00 0.00 N ATOM 172 CA PHE A 163 9.220 -3.409 -4.771 1.00 0.00 C ATOM 173 C PHE A 163 8.392 -4.469 -4.053 1.00 0.00 C ATOM 174 O PHE A 163 7.395 -4.157 -3.402 1.00 0.00 O ATOM 175 CB PHE A 163 10.197 -2.753 -3.790 1.00 0.00 C ATOM 176 CG PHE A 163 11.621 -3.193 -3.977 1.00 0.00 C ATOM 177 CD1 PHE A 163 11.978 -4.520 -3.805 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.602 -2.278 -4.327 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.287 -4.929 -3.977 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.913 -2.682 -4.498 1.00 0.00 C ATOM 181 CZ PHE A 163 14.255 -4.008 -4.325 1.00 0.00 C ATOM 0 H PHE A 163 7.377 -2.469 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 163 9.788 -3.893 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.142 -1.670 -3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 163 9.885 -2.982 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 163 11.224 -5.244 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 163 12.340 -1.240 -4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 163 13.552 -5.967 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 163 14.670 -1.960 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.278 -4.325 -4.462 1.00 0.00 H new ATOM 191 N ASP A 164 8.811 -5.725 -4.174 1.00 0.00 N ATOM 192 CA ASP A 164 8.105 -6.830 -3.535 1.00 0.00 C ATOM 193 C ASP A 164 8.273 -6.780 -2.020 1.00 0.00 C ATOM 194 O ASP A 164 9.343 -6.436 -1.518 1.00 0.00 O ATOM 195 CB ASP A 164 8.615 -8.168 -4.073 1.00 0.00 C ATOM 196 CG ASP A 164 8.607 -8.224 -5.589 1.00 0.00 C ATOM 197 OD1 ASP A 164 7.507 -8.309 -6.173 1.00 0.00 O ATOM 198 OD2 ASP A 164 9.702 -8.180 -6.188 1.00 0.00 O ATOM 0 H ASP A 164 9.635 -6.003 -4.708 1.00 0.00 H new ATOM 0 HA ASP A 164 7.045 -6.734 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.629 -8.339 -3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 164 7.996 -8.974 -3.679 1.00 0.00 H new ATOM 203 N PHE A 165 7.212 -7.125 -1.296 1.00 0.00 N ATOM 204 CA PHE A 165 7.250 -7.118 0.161 1.00 0.00 C ATOM 205 C PHE A 165 6.667 -8.409 0.729 1.00 0.00 C ATOM 206 O PHE A 165 5.469 -8.666 0.611 1.00 0.00 O ATOM 207 CB PHE A 165 6.475 -5.916 0.704 1.00 0.00 C ATOM 208 CG PHE A 165 6.950 -5.457 2.055 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.069 -4.645 2.170 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.280 -5.838 3.206 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.506 -4.222 3.411 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.714 -5.418 4.447 1.00 0.00 C ATOM 213 CZ PHE A 165 7.830 -4.608 4.551 1.00 0.00 C ATOM 0 H PHE A 165 6.318 -7.412 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 165 8.292 -7.044 0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.560 -5.090 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.418 -6.174 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.603 -4.341 1.282 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.408 -6.471 3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.377 -3.589 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 165 6.182 -5.722 5.337 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.172 -4.278 5.521 1.00 0.00 H new ATOM 223 N ASN A 166 7.523 -9.216 1.346 1.00 0.00 N ATOM 224 CA ASN A 166 7.096 -10.478 1.935 1.00 0.00 C ATOM 225 C ASN A 166 7.155 -10.413 3.460 1.00 0.00 C ATOM 226 O ASN A 166 8.144 -10.823 4.069 1.00 0.00 O ATOM 227 CB ASN A 166 7.972 -11.625 1.429 1.00 0.00 C ATOM 228 CG ASN A 166 7.210 -12.930 1.319 1.00 0.00 C ATOM 229 OD1 ASN A 166 6.570 -13.207 0.305 1.00 0.00 O ATOM 230 ND2 ASN A 166 7.276 -13.743 2.369 1.00 0.00 N ATOM 0 H ASN A 166 8.518 -9.018 1.451 1.00 0.00 H new ATOM 0 HA ASN A 166 6.064 -10.659 1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.381 -11.363 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 166 8.818 -11.757 2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 166 6.784 -14.636 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 166 7.819 -13.473 3.190 1.00 0.00 H new ATOM 237 N PRO A 167 6.093 -9.891 4.097 1.00 0.00 N ATOM 238 CA PRO A 167 6.029 -9.774 5.555 1.00 0.00 C ATOM 239 C PRO A 167 5.696 -11.098 6.232 1.00 0.00 C ATOM 240 O PRO A 167 4.609 -11.644 6.052 1.00 0.00 O ATOM 241 CB PRO A 167 4.902 -8.765 5.769 1.00 0.00 C ATOM 242 CG PRO A 167 4.001 -8.951 4.595 1.00 0.00 C ATOM 243 CD PRO A 167 4.872 -9.379 3.447 1.00 0.00 C ATOM 0 HA PRO A 167 6.984 -9.472 5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.376 -8.951 6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.286 -7.746 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.241 -9.703 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.476 -8.025 4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.388 -10.148 2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.094 -8.545 2.782 1.00 0.00 H new ATOM 251 N GLN A 168 6.642 -11.607 7.014 1.00 0.00 N ATOM 252 CA GLN A 168 6.451 -12.866 7.724 1.00 0.00 C ATOM 253 C GLN A 168 5.617 -12.660 8.985 1.00 0.00 C ATOM 254 O GLN A 168 4.947 -13.579 9.455 1.00 0.00 O ATOM 255 CB GLN A 168 7.803 -13.480 8.088 1.00 0.00 C ATOM 256 CG GLN A 168 7.694 -14.842 8.753 1.00 0.00 C ATOM 257 CD GLN A 168 7.492 -15.964 7.755 1.00 0.00 C ATOM 258 OE1 GLN A 168 8.324 -16.184 6.875 1.00 0.00 O ATOM 259 NE2 GLN A 168 6.382 -16.682 7.888 1.00 0.00 N ATOM 0 H GLN A 168 7.549 -11.167 7.172 1.00 0.00 H new ATOM 0 HA GLN A 168 5.915 -13.548 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.405 -13.574 7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.333 -12.801 8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.598 -15.033 9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 168 6.862 -14.833 9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 168 5.720 -16.464 8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 168 6.192 -17.451 7.246 1.00 0.00 H new ATOM 268 N GLU A 169 5.664 -11.446 9.528 1.00 0.00 N ATOM 269 CA GLU A 169 4.911 -11.119 10.734 1.00 0.00 C ATOM 270 C GLU A 169 3.592 -10.441 10.384 1.00 0.00 C ATOM 271 O GLU A 169 3.320 -10.151 9.219 1.00 0.00 O ATOM 272 CB GLU A 169 5.740 -10.214 11.647 1.00 0.00 C ATOM 273 CG GLU A 169 7.151 -10.721 11.890 1.00 0.00 C ATOM 274 CD GLU A 169 8.182 -9.608 11.879 1.00 0.00 C ATOM 275 OE1 GLU A 169 8.357 -8.972 10.818 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.811 -9.372 12.931 1.00 0.00 O ATOM 0 H GLU A 169 6.215 -10.674 9.152 1.00 0.00 H new ATOM 0 HA GLU A 169 4.691 -12.048 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.792 -9.218 11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.230 -10.113 12.605 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.188 -11.235 12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.406 -11.455 11.125 1.00 0.00 H new ATOM 283 N SER A 170 2.775 -10.187 11.402 1.00 0.00 N ATOM 284 CA SER A 170 1.482 -9.543 11.202 1.00 0.00 C ATOM 285 C SER A 170 1.611 -8.025 11.301 1.00 0.00 C ATOM 286 O SER A 170 2.489 -7.510 11.991 1.00 0.00 O ATOM 287 CB SER A 170 0.470 -10.048 12.231 1.00 0.00 C ATOM 288 OG SER A 170 0.784 -9.578 13.528 1.00 0.00 O ATOM 0 H SER A 170 2.986 -10.417 12.373 1.00 0.00 H new ATOM 0 HA SER A 170 1.129 -9.797 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.531 -9.717 11.954 1.00 0.00 H new ATOM 0 HB3 SER A 170 0.458 -11.138 12.229 1.00 0.00 H new ATOM 0 HG SER A 170 0.121 -9.914 14.167 1.00 0.00 H new ATOM 294 N GLY A 171 0.728 -7.317 10.603 1.00 0.00 N ATOM 295 CA GLY A 171 0.758 -5.866 10.625 1.00 0.00 C ATOM 296 C GLY A 171 1.148 -5.276 9.284 1.00 0.00 C ATOM 297 O GLY A 171 0.639 -4.231 8.885 1.00 0.00 O ATOM 0 H GLY A 171 -0.007 -7.722 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.223 -5.489 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.464 -5.531 11.385 1.00 0.00 H new ATOM 301 N GLU A 172 2.055 -5.953 8.588 1.00 0.00 N ATOM 302 CA GLU A 172 2.516 -5.492 7.282 1.00 0.00 C ATOM 303 C GLU A 172 1.757 -6.196 6.162 1.00 0.00 C ATOM 304 O GLU A 172 1.584 -7.414 6.189 1.00 0.00 O ATOM 305 CB GLU A 172 4.017 -5.738 7.132 1.00 0.00 C ATOM 306 CG GLU A 172 4.851 -5.100 8.231 1.00 0.00 C ATOM 307 CD GLU A 172 6.337 -5.345 8.053 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.830 -6.383 8.537 1.00 0.00 O ATOM 309 OE2 GLU A 172 7.007 -4.495 7.427 1.00 0.00 O ATOM 0 H GLU A 172 2.485 -6.822 8.905 1.00 0.00 H new ATOM 0 HA GLU A 172 2.324 -4.421 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.202 -6.812 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.345 -5.351 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 172 4.663 -4.026 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.535 -5.494 9.197 1.00 0.00 H new ATOM 316 N LEU A 173 1.302 -5.425 5.178 1.00 0.00 N ATOM 317 CA LEU A 173 0.558 -5.985 4.057 1.00 0.00 C ATOM 318 C LEU A 173 1.497 -6.682 3.073 1.00 0.00 C ATOM 319 O LEU A 173 2.624 -6.237 2.856 1.00 0.00 O ATOM 320 CB LEU A 173 -0.260 -4.888 3.354 1.00 0.00 C ATOM 321 CG LEU A 173 -0.053 -4.749 1.844 1.00 0.00 C ATOM 322 CD1 LEU A 173 -0.802 -5.846 1.102 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.503 -3.378 1.369 1.00 0.00 C ATOM 0 H LEU A 173 1.435 -4.415 5.135 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.134 -6.733 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.317 -5.079 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.023 -3.932 3.821 1.00 0.00 H new ATOM 0 HG LEU A 173 1.011 -4.853 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.644 -5.733 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.432 -6.820 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -1.867 -5.772 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.349 -3.297 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.561 -3.244 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 173 0.077 -2.608 1.878 1.00 0.00 H new ATOM 335 N ALA A 174 1.021 -7.770 2.475 1.00 0.00 N ATOM 336 CA ALA A 174 1.814 -8.516 1.507 1.00 0.00 C ATOM 337 C ALA A 174 1.473 -8.080 0.087 1.00 0.00 C ATOM 338 O ALA A 174 0.367 -8.321 -0.398 1.00 0.00 O ATOM 339 CB ALA A 174 1.584 -10.011 1.673 1.00 0.00 C ATOM 0 H ALA A 174 0.091 -8.153 2.644 1.00 0.00 H new ATOM 0 HA ALA A 174 2.868 -8.305 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.183 -10.555 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.875 -10.314 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.529 -10.236 1.517 1.00 0.00 H new ATOM 345 N PHE A 175 2.424 -7.426 -0.574 1.00 0.00 N ATOM 346 CA PHE A 175 2.210 -6.948 -1.935 1.00 0.00 C ATOM 347 C PHE A 175 3.406 -7.259 -2.827 1.00 0.00 C ATOM 348 O PHE A 175 4.393 -7.844 -2.382 1.00 0.00 O ATOM 349 CB PHE A 175 1.942 -5.441 -1.929 1.00 0.00 C ATOM 350 CG PHE A 175 2.990 -4.640 -1.208 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.180 -4.789 0.157 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.783 -3.735 -1.895 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.139 -4.050 0.823 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.746 -2.994 -1.234 1.00 0.00 C ATOM 355 CZ PHE A 175 4.924 -3.152 0.126 1.00 0.00 C ATOM 0 H PHE A 175 3.346 -7.216 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 175 1.341 -7.468 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 175 1.874 -5.090 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 175 0.973 -5.256 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.571 -5.491 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.648 -3.607 -2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.275 -4.174 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.358 -2.292 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.676 -2.575 0.644 1.00 0.00 H new ATOM 365 N LYS A 176 3.308 -6.858 -4.091 1.00 0.00 N ATOM 366 CA LYS A 176 4.377 -7.086 -5.053 1.00 0.00 C ATOM 367 C LYS A 176 4.705 -5.803 -5.811 1.00 0.00 C ATOM 368 O LYS A 176 4.220 -4.727 -5.461 1.00 0.00 O ATOM 369 CB LYS A 176 3.984 -8.194 -6.035 1.00 0.00 C ATOM 370 CG LYS A 176 2.813 -7.829 -6.930 1.00 0.00 C ATOM 371 CD LYS A 176 2.432 -8.980 -7.848 1.00 0.00 C ATOM 372 CE LYS A 176 1.850 -8.477 -9.158 1.00 0.00 C ATOM 373 NZ LYS A 176 2.908 -8.240 -10.179 1.00 0.00 N ATOM 0 H LYS A 176 2.496 -6.372 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 176 5.266 -7.400 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 176 4.845 -8.437 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 176 3.734 -9.094 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 176 1.956 -7.554 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 176 3.070 -6.955 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 176 3.311 -9.592 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 176 1.706 -9.621 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 176 1.133 -9.204 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 176 1.302 -7.551 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 2.471 -7.898 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 3.578 -7.528 -9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 3.414 -9.129 -10.367 1.00 0.00 H new ATOM 387 N ARG A 177 5.529 -5.921 -6.845 1.00 0.00 N ATOM 388 CA ARG A 177 5.922 -4.766 -7.645 1.00 0.00 C ATOM 389 C ARG A 177 4.798 -4.324 -8.577 1.00 0.00 C ATOM 390 O ARG A 177 4.106 -5.149 -9.172 1.00 0.00 O ATOM 391 CB ARG A 177 7.177 -5.090 -8.457 1.00 0.00 C ATOM 392 CG ARG A 177 8.389 -4.268 -8.054 1.00 0.00 C ATOM 393 CD ARG A 177 9.541 -4.456 -9.027 1.00 0.00 C ATOM 394 NE ARG A 177 10.745 -3.752 -8.593 1.00 0.00 N ATOM 395 CZ ARG A 177 11.573 -4.207 -7.654 1.00 0.00 C ATOM 396 NH1 ARG A 177 11.330 -5.363 -7.049 1.00 0.00 N ATOM 397 NH2 ARG A 177 12.646 -3.505 -7.320 1.00 0.00 N ATOM 0 H ARG A 177 5.938 -6.804 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 177 6.136 -3.944 -6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.411 -6.148 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.969 -4.922 -9.514 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.116 -3.214 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.708 -4.556 -7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 177 9.760 -5.519 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.246 -4.095 -10.012 1.00 0.00 H new ATOM 0 HE ARG A 177 10.965 -2.859 -9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 177 10.506 -5.908 -7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 177 11.967 -5.707 -6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.838 -2.616 -7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 177 13.280 -3.853 -6.601 1.00 0.00 H new ATOM 411 N GLY A 178 4.632 -3.011 -8.699 1.00 0.00 N ATOM 412 CA GLY A 178 3.603 -2.461 -9.561 1.00 0.00 C ATOM 413 C GLY A 178 2.214 -2.971 -9.232 1.00 0.00 C ATOM 414 O GLY A 178 1.317 -2.922 -10.073 1.00 0.00 O ATOM 0 H GLY A 178 5.196 -2.314 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.613 -1.374 -9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.837 -2.705 -10.597 1.00 0.00 H new ATOM 418 N ASP A 179 2.031 -3.460 -8.012 1.00 0.00 N ATOM 419 CA ASP A 179 0.738 -3.974 -7.589 1.00 0.00 C ATOM 420 C ASP A 179 -0.157 -2.842 -7.089 1.00 0.00 C ATOM 421 O ASP A 179 0.200 -2.115 -6.163 1.00 0.00 O ATOM 422 CB ASP A 179 0.918 -5.051 -6.508 1.00 0.00 C ATOM 423 CG ASP A 179 0.928 -4.491 -5.098 1.00 0.00 C ATOM 424 OD1 ASP A 179 1.889 -3.776 -4.749 1.00 0.00 O ATOM 425 OD2 ASP A 179 -0.025 -4.774 -4.342 1.00 0.00 O ATOM 0 H ASP A 179 2.760 -3.511 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 179 0.250 -4.432 -8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 179 0.114 -5.782 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.853 -5.583 -6.687 1.00 0.00 H new ATOM 430 N VAL A 180 -1.323 -2.696 -7.710 1.00 0.00 N ATOM 431 CA VAL A 180 -2.265 -1.652 -7.326 1.00 0.00 C ATOM 432 C VAL A 180 -2.884 -1.952 -5.966 1.00 0.00 C ATOM 433 O VAL A 180 -3.765 -2.805 -5.849 1.00 0.00 O ATOM 434 CB VAL A 180 -3.388 -1.494 -8.368 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.262 -0.295 -8.036 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.803 -1.366 -9.767 1.00 0.00 C ATOM 0 H VAL A 180 -1.637 -3.287 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.703 -0.720 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.013 -2.387 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.049 -0.200 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.711 -0.433 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.653 0.609 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.611 -1.255 -10.490 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.154 -0.492 -9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.225 -2.259 -10.003 1.00 0.00 H new ATOM 446 N ILE A 181 -2.418 -1.251 -4.938 1.00 0.00 N ATOM 447 CA ILE A 181 -2.926 -1.452 -3.587 1.00 0.00 C ATOM 448 C ILE A 181 -3.893 -0.342 -3.185 1.00 0.00 C ATOM 449 O ILE A 181 -3.573 0.843 -3.287 1.00 0.00 O ATOM 450 CB ILE A 181 -1.780 -1.508 -2.557 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.701 -2.492 -3.011 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.315 -1.899 -1.187 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.638 -2.273 -2.343 1.00 0.00 C ATOM 0 H ILE A 181 -1.691 -0.540 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.453 -2.406 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.333 -0.516 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -1.038 -3.508 -2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.577 -2.409 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.493 -1.934 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.050 -1.163 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.786 -2.880 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.354 -3.007 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.998 -1.269 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.529 -2.385 -1.264 1.00 0.00 H new ATOM 465 N THR A 182 -5.074 -0.736 -2.720 1.00 0.00 N ATOM 466 CA THR A 182 -6.085 0.224 -2.294 1.00 0.00 C ATOM 467 C THR A 182 -5.767 0.744 -0.897 1.00 0.00 C ATOM 468 O THR A 182 -6.034 0.075 0.101 1.00 0.00 O ATOM 469 CB THR A 182 -7.471 -0.422 -2.310 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.625 -1.252 -3.447 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.601 0.588 -2.324 1.00 0.00 C ATOM 0 H THR A 182 -5.354 -1.713 -2.629 1.00 0.00 H new ATOM 0 HA THR A 182 -6.080 1.063 -2.990 1.00 0.00 H new ATOM 0 HB THR A 182 -7.531 -1.000 -1.388 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.763 -0.696 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.557 0.064 -2.335 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.540 1.214 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.519 1.213 -3.213 1.00 0.00 H new ATOM 479 N LEU A 183 -5.188 1.939 -0.833 1.00 0.00 N ATOM 480 CA LEU A 183 -4.822 2.548 0.442 1.00 0.00 C ATOM 481 C LEU A 183 -5.977 2.505 1.437 1.00 0.00 C ATOM 482 O LEU A 183 -7.089 2.939 1.137 1.00 0.00 O ATOM 483 CB LEU A 183 -4.373 3.995 0.233 1.00 0.00 C ATOM 484 CG LEU A 183 -3.659 4.631 1.431 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.210 4.939 1.091 1.00 0.00 C ATOM 486 CD2 LEU A 183 -4.378 5.896 1.874 1.00 0.00 C ATOM 0 H LEU A 183 -4.962 2.506 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.996 1.969 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.707 4.032 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.247 4.599 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.676 3.917 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -1.721 5.390 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -1.695 4.016 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -2.173 5.632 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.856 6.332 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -4.394 6.612 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -5.400 5.651 2.162 1.00 0.00 H new ATOM 498 N ILE A 184 -5.697 1.985 2.627 1.00 0.00 N ATOM 499 CA ILE A 184 -6.698 1.889 3.680 1.00 0.00 C ATOM 500 C ILE A 184 -6.695 3.153 4.536 1.00 0.00 C ATOM 501 O ILE A 184 -7.746 3.617 4.981 1.00 0.00 O ATOM 502 CB ILE A 184 -6.445 0.664 4.584 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.345 -0.613 3.746 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.545 0.531 5.628 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.642 -1.746 4.461 1.00 0.00 C ATOM 0 H ILE A 184 -4.780 1.622 2.886 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.669 1.775 3.198 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.497 0.812 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.348 -0.936 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.813 -0.391 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.348 -0.339 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.569 1.427 6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.507 0.409 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.606 -2.620 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.627 -1.441 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.186 -1.994 5.372 1.00 0.00 H new ATOM 517 N ASN A 185 -5.507 3.712 4.756 1.00 0.00 N ATOM 518 CA ASN A 185 -5.364 4.927 5.549 1.00 0.00 C ATOM 519 C ASN A 185 -3.913 5.403 5.576 1.00 0.00 C ATOM 520 O ASN A 185 -2.985 4.611 5.401 1.00 0.00 O ATOM 521 CB ASN A 185 -5.874 4.703 6.977 1.00 0.00 C ATOM 522 CG ASN A 185 -4.967 3.798 7.787 1.00 0.00 C ATOM 523 OD1 ASN A 185 -4.221 4.257 8.652 1.00 0.00 O ATOM 524 ND2 ASN A 185 -5.026 2.502 7.507 1.00 0.00 N ATOM 0 H ASN A 185 -4.629 3.340 4.394 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.967 5.703 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.965 5.665 7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.873 4.268 6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -4.438 1.843 8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -5.659 2.165 6.782 1.00 0.00 H new ATOM 531 N LYS A 186 -3.727 6.700 5.795 1.00 0.00 N ATOM 532 CA LYS A 186 -2.398 7.294 5.849 1.00 0.00 C ATOM 533 C LYS A 186 -2.106 7.837 7.244 1.00 0.00 C ATOM 534 O LYS A 186 -1.587 8.943 7.394 1.00 0.00 O ATOM 535 CB LYS A 186 -2.284 8.426 4.824 1.00 0.00 C ATOM 536 CG LYS A 186 -2.000 7.944 3.412 1.00 0.00 C ATOM 537 CD LYS A 186 -1.585 9.094 2.507 1.00 0.00 C ATOM 538 CE LYS A 186 -2.697 10.119 2.363 1.00 0.00 C ATOM 539 NZ LYS A 186 -2.444 11.056 1.234 1.00 0.00 N ATOM 0 H LYS A 186 -4.488 7.364 5.939 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.669 6.519 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -3.211 8.999 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.490 9.106 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -1.210 7.193 3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.888 7.461 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -0.696 9.575 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.317 8.706 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -3.645 9.606 2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -2.792 10.684 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -3.225 11.740 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -1.552 11.564 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -2.379 10.519 0.346 1.00 0.00 H new ATOM 553 N ASP A 187 -2.448 7.057 8.264 1.00 0.00 N ATOM 554 CA ASP A 187 -2.226 7.467 9.648 1.00 0.00 C ATOM 555 C ASP A 187 -0.805 7.986 9.845 1.00 0.00 C ATOM 556 O ASP A 187 -0.560 8.859 10.677 1.00 0.00 O ATOM 557 CB ASP A 187 -2.491 6.298 10.597 1.00 0.00 C ATOM 558 CG ASP A 187 -2.371 6.698 12.055 1.00 0.00 C ATOM 559 OD1 ASP A 187 -2.849 7.796 12.409 1.00 0.00 O ATOM 560 OD2 ASP A 187 -1.800 5.915 12.841 1.00 0.00 O ATOM 0 H ASP A 187 -2.879 6.139 8.160 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.921 8.276 9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -3.490 5.903 10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.786 5.494 10.384 1.00 0.00 H new ATOM 565 N ASP A 188 0.127 7.441 9.072 1.00 0.00 N ATOM 566 CA ASP A 188 1.526 7.843 9.156 1.00 0.00 C ATOM 567 C ASP A 188 2.074 8.206 7.782 1.00 0.00 C ATOM 568 O ASP A 188 1.991 7.411 6.846 1.00 0.00 O ATOM 569 CB ASP A 188 2.377 6.725 9.759 1.00 0.00 C ATOM 570 CG ASP A 188 1.656 5.397 9.836 1.00 0.00 C ATOM 571 OD1 ASP A 188 0.578 5.337 10.466 1.00 0.00 O ATOM 572 OD2 ASP A 188 2.171 4.417 9.269 1.00 0.00 O ATOM 0 H ASP A 188 -0.062 6.718 8.378 1.00 0.00 H new ATOM 0 HA ASP A 188 1.575 8.720 9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 188 3.282 6.605 9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.692 7.018 10.761 1.00 0.00 H new ATOM 577 N PRO A 189 2.672 9.402 7.641 1.00 0.00 N ATOM 578 CA PRO A 189 3.250 9.842 6.370 1.00 0.00 C ATOM 579 C PRO A 189 4.336 8.892 5.871 1.00 0.00 C ATOM 580 O PRO A 189 4.737 8.953 4.709 1.00 0.00 O ATOM 581 CB PRO A 189 3.846 11.219 6.692 1.00 0.00 C ATOM 582 CG PRO A 189 3.970 11.254 8.176 1.00 0.00 C ATOM 583 CD PRO A 189 2.848 10.406 8.702 1.00 0.00 C ATOM 0 HA PRO A 189 2.504 9.869 5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 189 4.816 11.350 6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 189 3.202 12.021 6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 189 4.937 10.866 8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 189 3.897 12.275 8.550 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.103 9.945 9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 189 1.941 10.989 8.861 1.00 0.00 H new ATOM 591 N ASN A 190 4.814 8.015 6.755 1.00 0.00 N ATOM 592 CA ASN A 190 5.855 7.066 6.391 1.00 0.00 C ATOM 593 C ASN A 190 5.283 5.702 6.035 1.00 0.00 C ATOM 594 O ASN A 190 5.706 5.085 5.058 1.00 0.00 O ATOM 595 CB ASN A 190 6.868 6.908 7.523 1.00 0.00 C ATOM 596 CG ASN A 190 8.004 7.895 7.410 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.252 8.691 8.315 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.700 7.844 6.282 1.00 0.00 N ATOM 0 H ASN A 190 4.496 7.946 7.722 1.00 0.00 H new ATOM 0 HA ASN A 190 6.353 7.471 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.365 7.043 8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.267 5.894 7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.481 8.484 6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.454 7.165 5.561 1.00 0.00 H new ATOM 605 N TRP A 191 4.338 5.218 6.832 1.00 0.00 N ATOM 606 CA TRP A 191 3.752 3.912 6.575 1.00 0.00 C ATOM 607 C TRP A 191 2.274 4.022 6.228 1.00 0.00 C ATOM 608 O TRP A 191 1.448 4.385 7.064 1.00 0.00 O ATOM 609 CB TRP A 191 3.963 3.000 7.785 1.00 0.00 C ATOM 610 CG TRP A 191 5.343 2.427 7.853 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.505 3.123 8.011 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.707 1.045 7.765 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.573 2.260 8.026 1.00 0.00 N ATOM 614 CE2 TRP A 191 7.110 0.978 7.876 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.987 -0.141 7.604 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.805 -0.229 7.831 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.678 -1.338 7.559 1.00 0.00 C ATOM 618 CH2 TRP A 191 7.073 -1.375 7.673 1.00 0.00 C ATOM 0 H TRP A 191 3.967 5.703 7.649 1.00 0.00 H new ATOM 0 HA TRP A 191 4.254 3.475 5.712 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.765 3.564 8.697 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.239 2.186 7.750 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.575 4.196 8.110 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.551 2.529 8.132 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.911 -0.124 7.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.881 -0.259 7.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 5.132 -2.261 7.434 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.582 -2.327 7.636 1.00 0.00 H new ATOM 629 N TRP A 192 1.949 3.706 4.982 1.00 0.00 N ATOM 630 CA TRP A 192 0.573 3.765 4.516 1.00 0.00 C ATOM 631 C TRP A 192 -0.040 2.374 4.485 1.00 0.00 C ATOM 632 O TRP A 192 0.593 1.415 4.044 1.00 0.00 O ATOM 633 CB TRP A 192 0.506 4.401 3.123 1.00 0.00 C ATOM 634 CG TRP A 192 0.823 5.866 3.117 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.123 6.644 4.197 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.867 6.730 1.974 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.355 7.937 3.796 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.203 8.015 2.437 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.657 6.539 0.606 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.334 9.105 1.579 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.787 7.621 -0.244 1.00 0.00 C ATOM 642 CH2 TRP A 192 1.123 8.890 0.245 1.00 0.00 C ATOM 0 H TRP A 192 2.621 3.406 4.276 1.00 0.00 H new ATOM 0 HA TRP A 192 0.003 4.382 5.211 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.203 3.884 2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.493 4.252 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.171 6.294 5.218 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.601 8.713 4.411 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.398 5.564 0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.593 10.084 1.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.627 7.486 -1.303 1.00 0.00 H new ATOM 0 HH2 TRP A 192 1.217 9.715 -0.445 1.00 0.00 H new ATOM 653 N GLU A 193 -1.277 2.271 4.950 1.00 0.00 N ATOM 654 CA GLU A 193 -1.977 0.996 4.970 1.00 0.00 C ATOM 655 C GLU A 193 -2.713 0.798 3.653 1.00 0.00 C ATOM 656 O GLU A 193 -3.179 1.764 3.050 1.00 0.00 O ATOM 657 CB GLU A 193 -2.961 0.958 6.140 1.00 0.00 C ATOM 658 CG GLU A 193 -3.274 -0.444 6.634 1.00 0.00 C ATOM 659 CD GLU A 193 -3.326 -0.532 8.148 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.534 0.515 8.796 1.00 0.00 O ATOM 661 OE2 GLU A 193 -3.158 -1.647 8.684 1.00 0.00 O ATOM 0 H GLU A 193 -1.816 3.055 5.318 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.255 0.189 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.552 1.541 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.890 1.442 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.231 -0.765 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -2.518 -1.134 6.260 1.00 0.00 H new ATOM 668 N GLY A 194 -2.804 -0.445 3.197 1.00 0.00 N ATOM 669 CA GLY A 194 -3.479 -0.708 1.938 1.00 0.00 C ATOM 670 C GLY A 194 -4.186 -2.047 1.901 1.00 0.00 C ATOM 671 O GLY A 194 -3.904 -2.933 2.707 1.00 0.00 O ATOM 0 H GLY A 194 -2.428 -1.268 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.205 0.083 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.750 -0.668 1.129 1.00 0.00 H new ATOM 675 N GLN A 195 -5.111 -2.189 0.955 1.00 0.00 N ATOM 676 CA GLN A 195 -5.872 -3.423 0.800 1.00 0.00 C ATOM 677 C GLN A 195 -5.664 -4.019 -0.589 1.00 0.00 C ATOM 678 O GLN A 195 -5.824 -3.337 -1.601 1.00 0.00 O ATOM 679 CB GLN A 195 -7.359 -3.160 1.035 1.00 0.00 C ATOM 680 CG GLN A 195 -7.992 -4.105 2.043 1.00 0.00 C ATOM 681 CD GLN A 195 -9.213 -4.815 1.491 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.770 -4.414 0.468 1.00 0.00 O ATOM 683 NE2 GLN A 195 -9.637 -5.876 2.168 1.00 0.00 N ATOM 0 H GLN A 195 -5.351 -1.461 0.282 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.514 -4.138 1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.488 -2.134 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.889 -3.246 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.255 -4.846 2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -8.274 -3.544 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.145 -6.173 3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -10.454 -6.394 1.845 1.00 0.00 H new ATOM 692 N LEU A 196 -5.313 -5.301 -0.629 1.00 0.00 N ATOM 693 CA LEU A 196 -5.090 -5.996 -1.892 1.00 0.00 C ATOM 694 C LEU A 196 -6.096 -7.129 -2.064 1.00 0.00 C ATOM 695 O LEU A 196 -5.723 -8.295 -2.186 1.00 0.00 O ATOM 696 CB LEU A 196 -3.660 -6.541 -1.953 1.00 0.00 C ATOM 697 CG LEU A 196 -2.930 -6.297 -3.276 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.493 -6.789 -3.192 1.00 0.00 C ATOM 699 CD2 LEU A 196 -3.664 -6.980 -4.421 1.00 0.00 C ATOM 0 H LEU A 196 -5.177 -5.880 0.200 1.00 0.00 H new ATOM 0 HA LEU A 196 -5.228 -5.285 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -3.081 -6.090 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.688 -7.614 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.913 -5.224 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.990 -6.607 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.972 -6.255 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.486 -7.858 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -3.132 -6.797 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.711 -8.053 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -4.675 -6.580 -4.495 1.00 0.00 H new ATOM 711 N ASN A 197 -7.378 -6.777 -2.066 1.00 0.00 N ATOM 712 CA ASN A 197 -8.440 -7.766 -2.212 1.00 0.00 C ATOM 713 C ASN A 197 -8.501 -8.664 -0.981 1.00 0.00 C ATOM 714 O ASN A 197 -8.218 -9.861 -1.056 1.00 0.00 O ATOM 715 CB ASN A 197 -8.223 -8.609 -3.471 1.00 0.00 C ATOM 716 CG ASN A 197 -9.528 -9.028 -4.117 1.00 0.00 C ATOM 717 OD1 ASN A 197 -9.969 -10.169 -3.970 1.00 0.00 O ATOM 718 ND2 ASN A 197 -10.155 -8.108 -4.840 1.00 0.00 N ATOM 0 H ASN A 197 -7.706 -5.816 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 197 -9.389 -7.238 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -7.632 -8.040 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -7.646 -9.497 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -11.037 -8.334 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -9.755 -7.175 -4.936 1.00 0.00 H new ATOM 725 N ASN A 198 -8.861 -8.068 0.156 1.00 0.00 N ATOM 726 CA ASN A 198 -8.955 -8.790 1.424 1.00 0.00 C ATOM 727 C ASN A 198 -7.587 -8.899 2.093 1.00 0.00 C ATOM 728 O ASN A 198 -7.419 -9.638 3.062 1.00 0.00 O ATOM 729 CB ASN A 198 -9.554 -10.186 1.224 1.00 0.00 C ATOM 730 CG ASN A 198 -10.349 -10.653 2.426 1.00 0.00 C ATOM 731 OD1 ASN A 198 -10.549 -9.904 3.381 1.00 0.00 O ATOM 732 ND2 ASN A 198 -10.808 -11.900 2.383 1.00 0.00 N ATOM 0 H ASN A 198 -9.094 -7.077 0.224 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.618 -8.221 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -10.200 -10.179 0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -8.752 -10.897 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -11.350 -12.271 3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -10.618 -12.486 1.570 1.00 0.00 H new ATOM 739 N ARG A 199 -6.607 -8.161 1.571 1.00 0.00 N ATOM 740 CA ARG A 199 -5.261 -8.182 2.124 1.00 0.00 C ATOM 741 C ARG A 199 -4.907 -6.835 2.742 1.00 0.00 C ATOM 742 O ARG A 199 -4.374 -5.954 2.066 1.00 0.00 O ATOM 743 CB ARG A 199 -4.237 -8.539 1.041 1.00 0.00 C ATOM 744 CG ARG A 199 -4.736 -9.562 0.034 1.00 0.00 C ATOM 745 CD ARG A 199 -4.420 -10.981 0.477 1.00 0.00 C ATOM 746 NE ARG A 199 -4.846 -11.971 -0.510 1.00 0.00 N ATOM 747 CZ ARG A 199 -4.587 -13.273 -0.413 1.00 0.00 C ATOM 748 NH1 ARG A 199 -3.908 -13.747 0.624 1.00 0.00 N ATOM 749 NH2 ARG A 199 -5.010 -14.104 -1.354 1.00 0.00 N ATOM 0 H ARG A 199 -6.724 -7.544 0.767 1.00 0.00 H new ATOM 0 HA ARG A 199 -5.233 -8.944 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -3.953 -7.630 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -3.336 -8.924 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -5.813 -9.451 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -4.277 -9.372 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -3.348 -11.077 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -4.913 -11.182 1.428 1.00 0.00 H new ATOM 0 HE ARG A 199 -5.373 -11.645 -1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -3.581 -13.112 1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -3.713 -14.746 0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -5.534 -13.746 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -4.812 -15.102 -1.280 1.00 0.00 H new ATOM 763 N ARG A 200 -5.197 -6.681 4.029 1.00 0.00 N ATOM 764 CA ARG A 200 -4.903 -5.442 4.736 1.00 0.00 C ATOM 765 C ARG A 200 -3.507 -5.486 5.338 1.00 0.00 C ATOM 766 O ARG A 200 -3.027 -6.547 5.738 1.00 0.00 O ATOM 767 CB ARG A 200 -5.929 -5.195 5.840 1.00 0.00 C ATOM 768 CG ARG A 200 -7.136 -4.393 5.380 1.00 0.00 C ATOM 769 CD ARG A 200 -8.436 -5.129 5.654 1.00 0.00 C ATOM 770 NE ARG A 200 -8.604 -5.439 7.072 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.745 -5.861 7.610 1.00 0.00 C ATOM 772 NH1 ARG A 200 -10.824 -6.026 6.851 1.00 0.00 N ATOM 773 NH2 ARG A 200 -9.811 -6.121 8.909 1.00 0.00 N ATOM 0 H ARG A 200 -5.636 -7.400 4.604 1.00 0.00 H new ATOM 0 HA ARG A 200 -4.953 -4.625 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.268 -6.154 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.445 -4.669 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.149 -3.430 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -7.052 -4.188 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -9.275 -4.521 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.458 -6.053 5.076 1.00 0.00 H new ATOM 0 HE ARG A 200 -7.798 -5.325 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.779 -5.829 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -11.697 -6.350 7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -8.986 -5.997 9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -10.686 -6.445 9.321 1.00 0.00 H new ATOM 787 N GLY A 201 -2.856 -4.331 5.403 1.00 0.00 N ATOM 788 CA GLY A 201 -1.521 -4.277 5.963 1.00 0.00 C ATOM 789 C GLY A 201 -0.860 -2.927 5.783 1.00 0.00 C ATOM 790 O GLY A 201 -1.211 -2.171 4.875 1.00 0.00 O ATOM 0 H GLY A 201 -3.226 -3.437 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.569 -4.514 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.904 -5.043 5.493 1.00 0.00 H new ATOM 794 N ILE A 202 0.108 -2.629 6.640 1.00 0.00 N ATOM 795 CA ILE A 202 0.831 -1.364 6.567 1.00 0.00 C ATOM 796 C ILE A 202 2.206 -1.562 5.942 1.00 0.00 C ATOM 797 O ILE A 202 2.809 -2.627 6.066 1.00 0.00 O ATOM 798 CB ILE A 202 1.000 -0.726 7.958 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.757 -1.672 8.893 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.356 -0.365 8.544 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.796 -0.975 9.745 1.00 0.00 C ATOM 0 H ILE A 202 0.411 -3.245 7.394 1.00 0.00 H new ATOM 0 HA ILE A 202 0.238 -0.695 5.943 1.00 0.00 H new ATOM 0 HB ILE A 202 1.583 0.189 7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 202 1.042 -2.175 9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.245 -2.444 8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.219 0.085 9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.859 0.345 7.887 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -0.963 -1.265 8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.293 -1.706 10.383 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.533 -0.495 9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.311 -0.222 10.366 1.00 0.00 H new ATOM 813 N PHE A 203 2.696 -0.533 5.264 1.00 0.00 N ATOM 814 CA PHE A 203 3.998 -0.601 4.615 1.00 0.00 C ATOM 815 C PHE A 203 4.517 0.793 4.282 1.00 0.00 C ATOM 816 O PHE A 203 3.739 1.736 4.142 1.00 0.00 O ATOM 817 CB PHE A 203 3.898 -1.431 3.334 1.00 0.00 C ATOM 818 CG PHE A 203 3.050 -0.786 2.272 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.542 0.269 1.518 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.758 -1.228 2.036 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.760 0.868 0.547 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.973 -0.634 1.067 1.00 0.00 C ATOM 823 CZ PHE A 203 1.474 0.414 0.320 1.00 0.00 C ATOM 0 H PHE A 203 2.212 0.358 5.149 1.00 0.00 H new ATOM 0 HA PHE A 203 4.697 -1.074 5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.900 -1.597 2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.484 -2.410 3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.546 0.627 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.360 -2.047 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.154 1.689 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.032 -0.989 0.894 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.863 0.878 -0.440 1.00 0.00 H new ATOM 833 N PRO A 204 5.844 0.940 4.127 1.00 0.00 N ATOM 834 CA PRO A 204 6.452 2.225 3.784 1.00 0.00 C ATOM 835 C PRO A 204 5.954 2.718 2.435 1.00 0.00 C ATOM 836 O PRO A 204 6.229 2.105 1.402 1.00 0.00 O ATOM 837 CB PRO A 204 7.955 1.920 3.727 1.00 0.00 C ATOM 838 CG PRO A 204 8.122 0.632 4.462 1.00 0.00 C ATOM 839 CD PRO A 204 6.846 -0.130 4.252 1.00 0.00 C ATOM 0 HA PRO A 204 6.207 3.008 4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.300 1.833 2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.536 2.717 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.977 0.074 4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.302 0.808 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.888 -0.751 3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.628 -0.792 5.090 1.00 0.00 H new ATOM 847 N SER A 205 5.206 3.816 2.440 1.00 0.00 N ATOM 848 CA SER A 205 4.666 4.365 1.208 1.00 0.00 C ATOM 849 C SER A 205 5.776 4.726 0.228 1.00 0.00 C ATOM 850 O SER A 205 5.542 4.841 -0.973 1.00 0.00 O ATOM 851 CB SER A 205 3.795 5.580 1.503 1.00 0.00 C ATOM 852 OG SER A 205 4.378 6.398 2.504 1.00 0.00 O ATOM 0 H SER A 205 4.962 4.339 3.281 1.00 0.00 H new ATOM 0 HA SER A 205 4.048 3.597 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.655 6.161 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.807 5.253 1.827 1.00 0.00 H new ATOM 0 HG SER A 205 3.735 7.083 2.783 1.00 0.00 H new ATOM 858 N ASN A 206 6.991 4.882 0.744 1.00 0.00 N ATOM 859 CA ASN A 206 8.132 5.206 -0.099 1.00 0.00 C ATOM 860 C ASN A 206 8.433 4.051 -1.056 1.00 0.00 C ATOM 861 O ASN A 206 9.177 4.213 -2.025 1.00 0.00 O ATOM 862 CB ASN A 206 9.358 5.514 0.758 1.00 0.00 C ATOM 863 CG ASN A 206 9.862 6.925 0.573 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.304 7.705 -0.199 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.926 7.258 1.285 1.00 0.00 N ATOM 0 H ASN A 206 7.208 4.790 1.736 1.00 0.00 H new ATOM 0 HA ASN A 206 7.886 6.091 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 206 9.111 5.356 1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 206 10.155 4.813 0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.318 8.196 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.354 6.577 1.912 1.00 0.00 H new ATOM 872 N TYR A 207 7.850 2.885 -0.777 1.00 0.00 N ATOM 873 CA TYR A 207 8.054 1.706 -1.608 1.00 0.00 C ATOM 874 C TYR A 207 6.938 1.558 -2.639 1.00 0.00 C ATOM 875 O TYR A 207 6.711 0.469 -3.164 1.00 0.00 O ATOM 876 CB TYR A 207 8.107 0.454 -0.732 1.00 0.00 C ATOM 877 CG TYR A 207 9.502 -0.099 -0.545 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.368 -0.229 -1.624 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.951 -0.490 0.709 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.643 -0.734 -1.456 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.225 -0.996 0.885 1.00 0.00 C ATOM 882 CZ TYR A 207 12.066 -1.116 -0.201 1.00 0.00 C ATOM 883 OH TYR A 207 13.336 -1.619 -0.030 1.00 0.00 O ATOM 0 H TYR A 207 7.232 2.735 0.021 1.00 0.00 H new ATOM 0 HA TYR A 207 8.999 1.826 -2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.684 0.687 0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.477 -0.316 -1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.039 0.069 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.294 -0.397 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.305 -0.829 -2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.560 -1.296 1.867 1.00 0.00 H new ATOM 0 HH TYR A 207 13.476 -1.839 0.915 1.00 0.00 H new ATOM 893 N VAL A 208 6.238 2.653 -2.922 1.00 0.00 N ATOM 894 CA VAL A 208 5.145 2.621 -3.882 1.00 0.00 C ATOM 895 C VAL A 208 4.984 3.968 -4.588 1.00 0.00 C ATOM 896 O VAL A 208 5.854 4.835 -4.496 1.00 0.00 O ATOM 897 CB VAL A 208 3.814 2.227 -3.200 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.016 1.044 -2.266 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.227 3.401 -2.434 1.00 0.00 C ATOM 0 H VAL A 208 6.408 3.567 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 208 5.395 1.866 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 208 3.112 1.939 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.067 0.784 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.386 0.191 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.741 1.308 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.292 3.098 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.931 3.723 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 208 3.037 4.225 -3.121 1.00 0.00 H new ATOM 909 N ALA A 209 3.867 4.134 -5.287 1.00 0.00 N ATOM 910 CA ALA A 209 3.589 5.371 -6.005 1.00 0.00 C ATOM 911 C ALA A 209 2.101 5.491 -6.332 1.00 0.00 C ATOM 912 O ALA A 209 1.564 4.695 -7.105 1.00 0.00 O ATOM 913 CB ALA A 209 4.417 5.437 -7.278 1.00 0.00 C ATOM 0 H ALA A 209 3.138 3.425 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 209 3.863 6.208 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.200 6.366 -7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.477 5.402 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.169 4.590 -7.918 1.00 0.00 H new ATOM 919 N PRO A 210 1.406 6.485 -5.748 1.00 0.00 N ATOM 920 CA PRO A 210 -0.025 6.694 -5.986 1.00 0.00 C ATOM 921 C PRO A 210 -0.379 6.668 -7.470 1.00 0.00 C ATOM 922 O PRO A 210 0.192 7.410 -8.269 1.00 0.00 O ATOM 923 CB PRO A 210 -0.279 8.082 -5.398 1.00 0.00 C ATOM 924 CG PRO A 210 0.741 8.221 -4.323 1.00 0.00 C ATOM 925 CD PRO A 210 1.960 7.484 -4.809 1.00 0.00 C ATOM 0 HA PRO A 210 -0.633 5.907 -5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.169 8.860 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.290 8.166 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 210 0.969 9.270 -4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.379 7.800 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.663 8.154 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.496 7.009 -3.987 1.00 0.00 H new ATOM 933 N TYR A 211 -1.325 5.806 -7.830 1.00 0.00 N ATOM 934 CA TYR A 211 -1.756 5.678 -9.216 1.00 0.00 C ATOM 935 C TYR A 211 -3.056 6.441 -9.453 1.00 0.00 C ATOM 936 O TYR A 211 -3.075 7.451 -10.156 1.00 0.00 O ATOM 937 CB TYR A 211 -1.942 4.204 -9.580 1.00 0.00 C ATOM 938 CG TYR A 211 -2.366 3.979 -11.012 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.684 4.582 -12.063 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.451 3.165 -11.317 1.00 0.00 C ATOM 941 CE1 TYR A 211 -2.071 4.376 -13.375 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.842 2.956 -12.625 1.00 0.00 C ATOM 943 CZ TYR A 211 -3.150 3.564 -13.650 1.00 0.00 C ATOM 944 OH TYR A 211 -3.537 3.359 -14.954 1.00 0.00 O ATOM 0 H TYR A 211 -1.807 5.186 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.982 6.107 -9.853 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -1.007 3.674 -9.400 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.688 3.767 -8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.839 5.221 -11.852 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.998 2.688 -10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.530 4.850 -14.181 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.686 2.319 -12.844 1.00 0.00 H new ATOM 0 HH TYR A 211 -4.144 2.591 -14.998 1.00 0.00 H new ATOM 954 N ASN A 212 -4.140 5.948 -8.864 1.00 0.00 N ATOM 955 CA ASN A 212 -5.446 6.580 -9.011 1.00 0.00 C ATOM 956 C ASN A 212 -5.881 6.580 -10.471 1.00 0.00 C ATOM 957 O ASN A 212 -5.846 7.614 -11.141 1.00 0.00 O ATOM 958 CB ASN A 212 -5.403 8.011 -8.469 1.00 0.00 C ATOM 959 CG ASN A 212 -6.722 8.738 -8.636 1.00 0.00 C ATOM 960 OD1 ASN A 212 -7.688 8.185 -9.165 1.00 0.00 O ATOM 961 ND2 ASN A 212 -6.773 9.986 -8.186 1.00 0.00 N ATOM 0 H ASN A 212 -4.140 5.112 -8.280 1.00 0.00 H new ATOM 0 HA ASN A 212 -6.174 6.008 -8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -5.137 7.987 -7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -4.619 8.567 -8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -7.635 10.524 -8.272 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -5.950 10.406 -7.754 1.00 0.00 H new ATOM 968 N SER A 213 -6.289 5.415 -10.961 1.00 0.00 N ATOM 969 CA SER A 213 -6.729 5.277 -12.343 1.00 0.00 C ATOM 970 C SER A 213 -7.898 6.211 -12.640 1.00 0.00 C ATOM 971 O SER A 213 -8.056 6.688 -13.764 1.00 0.00 O ATOM 972 CB SER A 213 -7.131 3.830 -12.631 1.00 0.00 C ATOM 973 OG SER A 213 -6.820 3.470 -13.966 1.00 0.00 O ATOM 0 H SER A 213 -6.324 4.551 -10.420 1.00 0.00 H new ATOM 0 HA SER A 213 -5.896 5.551 -12.991 1.00 0.00 H new ATOM 0 HB2 SER A 213 -6.615 3.162 -11.941 1.00 0.00 H new ATOM 0 HB3 SER A 213 -8.200 3.705 -12.457 1.00 0.00 H new ATOM 0 HG SER A 213 -5.866 3.255 -14.033 1.00 0.00 H new ATOM 979 N ASN A 214 -8.717 6.465 -11.624 1.00 0.00 N ATOM 980 CA ASN A 214 -9.873 7.342 -11.777 1.00 0.00 C ATOM 981 C ASN A 214 -9.512 8.784 -11.429 1.00 0.00 C ATOM 982 O ASN A 214 -8.318 9.134 -11.528 1.00 0.00 O ATOM 983 CB ASN A 214 -11.023 6.864 -10.889 1.00 0.00 C ATOM 984 CG ASN A 214 -12.375 7.323 -11.398 1.00 0.00 C ATOM 985 OD1 ASN A 214 -12.667 8.517 -11.435 1.00 0.00 O ATOM 986 ND2 ASN A 214 -13.213 6.369 -11.793 1.00 0.00 N ATOM 987 OXT ASN A 214 -10.428 9.548 -11.060 1.00 0.00 O ATOM 0 H ASN A 214 -8.602 6.077 -10.688 1.00 0.00 H new ATOM 0 HA ASN A 214 -10.189 7.307 -12.820 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -11.009 5.775 -10.835 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -10.874 7.235 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -14.138 6.616 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -12.930 5.390 -11.746 1.00 0.00 H new TER 994 ASN A 214