USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 310 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 161 CYS SG : rot 40:sc= -1.13 USER MOD Set 1.2: A 164 CYS SG : rot 180:sc= -2.54 USER MOD Set 1.3: A 166 SER OG : rot 120:sc= -0.168 USER MOD Set 1.4: A 169 HIS : no HD1:sc= -3.59! X(o=-6.7!,f=-7.2) USER MOD Set 1.5: A 174 CYS SG : rot -142:sc= 0.69 USER MOD Set 2.1: A 141 ASN : amide:sc= -0.407 K(o=-0.7,f=-1.9) USER MOD Set 2.2: A 157 GLN : amide:sc= -0.29 X(o=-0.7,f=-0.7) USER MOD Set 3.1: A 140 TYR OH : rot 180:sc= 0.00962 USER MOD Set 3.2: A 162 HIS : no HE2:sc= -3.67! C(o=-3.7!,f=-5.4!) USER MOD Set 4.1: A 139 CYS SG : rot 160:sc= -2.31 USER MOD Set 4.2: A 142 CYS SG : rot 180:sc= -1.15! USER MOD Set 4.3: A 147 HIS : no HD1:sc= -3.37! K(o=-6.7!,f=-5.9) USER MOD Set 4.4: A 152 CYS SG : rot 86:sc= 0.151 USER MOD Single : A 148 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 155:sc= -0.106 (180deg=-0.499) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0129) USER MOD Single : A 165 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.12) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 142:sc= -1.62 (180deg=-4.35!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -171:sc=-0.000464 (180deg=-0.11) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -14.752 4.611 -1.628 1.00 0.00 N ATOM 67 CA ASP A 137 -15.318 5.750 -2.343 1.00 0.00 C ATOM 68 C ASP A 137 -14.362 6.938 -2.316 1.00 0.00 C ATOM 69 O ASP A 137 -14.151 7.600 -3.332 1.00 0.00 O ATOM 70 CB ASP A 137 -16.662 6.146 -1.730 1.00 0.00 C ATOM 71 CG ASP A 137 -16.588 6.300 -0.223 1.00 0.00 C ATOM 72 OD1 ASP A 137 -16.288 7.419 0.244 1.00 0.00 O ATOM 73 OD2 ASP A 137 -16.829 5.303 0.488 1.00 0.00 O ATOM 0 HA ASP A 137 -15.473 5.456 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -16.997 7.084 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -17.408 5.391 -1.979 1.00 0.00 H new ATOM 78 N ARG A 138 -13.788 7.203 -1.147 1.00 0.00 N ATOM 79 CA ARG A 138 -12.857 8.313 -0.987 1.00 0.00 C ATOM 80 C ARG A 138 -11.502 7.819 -0.490 1.00 0.00 C ATOM 81 O ARG A 138 -11.319 6.628 -0.235 1.00 0.00 O ATOM 82 CB ARG A 138 -13.424 9.347 -0.012 1.00 0.00 C ATOM 83 CG ARG A 138 -13.598 8.819 1.403 1.00 0.00 C ATOM 84 CD ARG A 138 -14.144 9.889 2.334 1.00 0.00 C ATOM 85 NE ARG A 138 -15.558 10.159 2.089 1.00 0.00 N ATOM 86 CZ ARG A 138 -16.338 10.818 2.938 1.00 0.00 C ATOM 87 NH1 ARG A 138 -15.845 11.273 4.081 1.00 0.00 N ATOM 88 NH2 ARG A 138 -17.616 11.024 2.643 1.00 0.00 N ATOM 0 H ARG A 138 -13.952 6.664 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 138 -12.719 8.781 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -12.762 10.213 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.389 9.693 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.275 7.964 1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -12.639 8.462 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -14.009 9.572 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -13.572 10.808 2.205 1.00 0.00 H new ATOM 0 HE ARG A 138 -15.969 9.823 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -14.864 11.117 4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -16.447 11.779 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -17.999 10.676 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -18.215 11.530 3.295 1.00 0.00 H new ATOM 102 N CYS A 139 -10.555 8.741 -0.354 1.00 0.00 N ATOM 103 CA CYS A 139 -9.216 8.401 0.112 1.00 0.00 C ATOM 104 C CYS A 139 -9.275 7.678 1.455 1.00 0.00 C ATOM 105 O CYS A 139 -9.650 8.264 2.471 1.00 0.00 O ATOM 106 CB CYS A 139 -8.360 9.662 0.236 1.00 0.00 C ATOM 107 SG CYS A 139 -6.819 9.426 1.177 1.00 0.00 S ATOM 0 H CYS A 139 -10.690 9.731 -0.560 1.00 0.00 H new ATOM 0 HA CYS A 139 -8.762 7.734 -0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.112 10.019 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -8.950 10.443 0.716 1.00 0.00 H new ATOM 0 HG CYS A 139 -5.980 10.373 0.880 1.00 0.00 H new ATOM 112 N TYR A 140 -8.902 6.404 1.451 1.00 0.00 N ATOM 113 CA TYR A 140 -8.914 5.600 2.668 1.00 0.00 C ATOM 114 C TYR A 140 -7.645 5.829 3.484 1.00 0.00 C ATOM 115 O TYR A 140 -7.074 4.892 4.039 1.00 0.00 O ATOM 116 CB TYR A 140 -9.051 4.116 2.323 1.00 0.00 C ATOM 117 CG TYR A 140 -8.196 3.685 1.152 1.00 0.00 C ATOM 118 CD1 TYR A 140 -6.810 3.698 1.237 1.00 0.00 C ATOM 119 CD2 TYR A 140 -8.776 3.266 -0.039 1.00 0.00 C ATOM 120 CE1 TYR A 140 -6.025 3.306 0.170 1.00 0.00 C ATOM 121 CE2 TYR A 140 -7.999 2.871 -1.111 1.00 0.00 C ATOM 122 CZ TYR A 140 -6.624 2.893 -1.002 1.00 0.00 C ATOM 123 OH TYR A 140 -5.847 2.501 -2.068 1.00 0.00 O ATOM 0 H TYR A 140 -8.587 5.905 0.619 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.771 5.907 3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -8.782 3.522 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.095 3.899 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -6.338 4.020 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -9.852 3.249 -0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -4.948 3.323 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -8.466 2.547 -2.029 1.00 0.00 H new ATOM 0 HH TYR A 140 -6.425 2.239 -2.815 1.00 0.00 H new ATOM 133 N ASN A 141 -7.212 7.084 3.552 1.00 0.00 N ATOM 134 CA ASN A 141 -6.011 7.438 4.301 1.00 0.00 C ATOM 135 C ASN A 141 -6.273 8.628 5.219 1.00 0.00 C ATOM 136 O ASN A 141 -6.122 8.531 6.437 1.00 0.00 O ATOM 137 CB ASN A 141 -4.864 7.762 3.341 1.00 0.00 C ATOM 138 CG ASN A 141 -3.513 7.747 4.030 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.417 7.484 5.229 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.460 8.029 3.271 1.00 0.00 N ATOM 0 H ASN A 141 -7.674 7.872 3.098 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.731 6.583 4.916 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -4.861 7.039 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.032 8.743 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.525 8.033 3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.587 8.241 2.281 1.00 0.00 H new ATOM 147 N CYS A 142 -6.668 9.749 4.626 1.00 0.00 N ATOM 148 CA CYS A 142 -6.952 10.959 5.389 1.00 0.00 C ATOM 149 C CYS A 142 -8.446 11.271 5.376 1.00 0.00 C ATOM 150 O CYS A 142 -9.037 11.569 6.414 1.00 0.00 O ATOM 151 CB CYS A 142 -6.168 12.142 4.819 1.00 0.00 C ATOM 152 SG CYS A 142 -6.843 12.801 3.260 1.00 0.00 S ATOM 0 H CYS A 142 -6.799 9.845 3.619 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.642 10.790 6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -6.148 12.941 5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.136 11.834 4.654 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.113 13.799 2.859 1.00 0.00 H new ATOM 157 N GLY A 143 -9.050 11.201 4.194 1.00 0.00 N ATOM 158 CA GLY A 143 -10.469 11.479 4.068 1.00 0.00 C ATOM 159 C GLY A 143 -10.752 12.634 3.129 1.00 0.00 C ATOM 160 O GLY A 143 -11.556 13.512 3.439 1.00 0.00 O ATOM 0 H GLY A 143 -8.582 10.957 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.980 10.587 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -10.881 11.705 5.052 1.00 0.00 H new ATOM 164 N GLY A 144 -10.089 12.635 1.977 1.00 0.00 N ATOM 165 CA GLY A 144 -10.286 13.697 1.007 1.00 0.00 C ATOM 166 C GLY A 144 -11.341 13.350 -0.025 1.00 0.00 C ATOM 167 O GLY A 144 -11.444 12.201 -0.457 1.00 0.00 O ATOM 0 H GLY A 144 -9.418 11.919 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.576 14.610 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.342 13.904 0.502 1.00 0.00 H new ATOM 171 N LEU A 145 -12.127 14.345 -0.422 1.00 0.00 N ATOM 172 CA LEU A 145 -13.181 14.140 -1.410 1.00 0.00 C ATOM 173 C LEU A 145 -12.725 14.591 -2.794 1.00 0.00 C ATOM 174 O LEU A 145 -13.028 13.947 -3.798 1.00 0.00 O ATOM 175 CB LEU A 145 -14.444 14.900 -1.002 1.00 0.00 C ATOM 176 CG LEU A 145 -15.193 14.355 0.214 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.284 15.322 0.646 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.782 12.986 -0.092 1.00 0.00 C ATOM 0 H LEU A 145 -12.055 15.301 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.404 13.074 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.171 15.936 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.128 14.909 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.484 14.248 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -16.806 14.917 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.837 16.281 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -16.991 15.461 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.312 12.613 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.477 13.067 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.980 12.295 -0.352 1.00 0.00 H new ATOM 190 N ASP A 146 -11.995 15.700 -2.838 1.00 0.00 N ATOM 191 CA ASP A 146 -11.494 16.236 -4.098 1.00 0.00 C ATOM 192 C ASP A 146 -10.389 15.350 -4.664 1.00 0.00 C ATOM 193 O ASP A 146 -10.377 15.040 -5.856 1.00 0.00 O ATOM 194 CB ASP A 146 -10.973 17.660 -3.900 1.00 0.00 C ATOM 195 CG ASP A 146 -9.670 17.697 -3.125 1.00 0.00 C ATOM 196 OD1 ASP A 146 -9.649 17.207 -1.977 1.00 0.00 O ATOM 197 OD2 ASP A 146 -8.671 18.216 -3.667 1.00 0.00 O ATOM 0 H ASP A 146 -11.737 16.245 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.319 16.256 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.827 18.129 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.723 18.248 -3.372 1.00 0.00 H new ATOM 202 N HIS A 147 -9.461 14.947 -3.803 1.00 0.00 N ATOM 203 CA HIS A 147 -8.350 14.097 -4.217 1.00 0.00 C ATOM 204 C HIS A 147 -8.645 12.631 -3.915 1.00 0.00 C ATOM 205 O HIS A 147 -9.501 12.318 -3.087 1.00 0.00 O ATOM 206 CB HIS A 147 -7.062 14.526 -3.514 1.00 0.00 C ATOM 207 CG HIS A 147 -7.023 14.162 -2.062 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.153 15.090 -1.050 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.869 12.963 -1.453 1.00 0.00 C ATOM 210 CE1 HIS A 147 -7.078 14.477 0.118 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.907 13.185 -0.099 1.00 0.00 N ATOM 0 H HIS A 147 -9.456 15.195 -2.814 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.221 14.209 -5.294 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.212 14.066 -4.018 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.946 15.605 -3.613 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.740 12.009 -1.942 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.145 14.952 1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -6.818 12.469 0.622 1.00 0.00 H new ATOM 219 N HIS A 148 -7.932 11.737 -4.591 1.00 0.00 N ATOM 220 CA HIS A 148 -8.117 10.304 -4.394 1.00 0.00 C ATOM 221 C HIS A 148 -7.043 9.738 -3.471 1.00 0.00 C ATOM 222 O HIS A 148 -6.020 10.378 -3.228 1.00 0.00 O ATOM 223 CB HIS A 148 -8.087 9.575 -5.738 1.00 0.00 C ATOM 224 CG HIS A 148 -9.258 9.890 -6.617 1.00 0.00 C ATOM 225 ND1 HIS A 148 -9.191 9.875 -7.994 1.00 0.00 N ATOM 226 CD2 HIS A 148 -10.531 10.228 -6.308 1.00 0.00 C ATOM 227 CE1 HIS A 148 -10.372 10.191 -8.494 1.00 0.00 C ATOM 228 NE2 HIS A 148 -11.203 10.410 -7.492 1.00 0.00 N ATOM 0 H HIS A 148 -7.220 11.979 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.090 10.150 -3.927 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -7.168 9.836 -6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -8.057 8.500 -5.558 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -10.942 10.335 -5.315 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -10.616 10.259 -9.544 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -12.185 10.672 -7.582 1.00 0.00 H new ATOM 236 N ALA A 149 -7.282 8.536 -2.958 1.00 0.00 N ATOM 237 CA ALA A 149 -6.335 7.884 -2.063 1.00 0.00 C ATOM 238 C ALA A 149 -4.961 7.760 -2.713 1.00 0.00 C ATOM 239 O ALA A 149 -3.961 8.229 -2.170 1.00 0.00 O ATOM 240 CB ALA A 149 -6.853 6.513 -1.653 1.00 0.00 C ATOM 0 H ALA A 149 -8.125 7.993 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.232 8.502 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.135 6.038 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -7.808 6.623 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -6.987 5.894 -2.540 1.00 0.00 H new ATOM 246 N LYS A 150 -4.919 7.124 -3.880 1.00 0.00 N ATOM 247 CA LYS A 150 -3.669 6.938 -4.606 1.00 0.00 C ATOM 248 C LYS A 150 -3.011 8.281 -4.910 1.00 0.00 C ATOM 249 O LYS A 150 -1.786 8.392 -4.923 1.00 0.00 O ATOM 250 CB LYS A 150 -3.920 6.175 -5.908 1.00 0.00 C ATOM 251 CG LYS A 150 -4.832 6.907 -6.876 1.00 0.00 C ATOM 252 CD LYS A 150 -6.285 6.506 -6.686 1.00 0.00 C ATOM 253 CE LYS A 150 -7.105 6.770 -7.939 1.00 0.00 C ATOM 254 NZ LYS A 150 -6.673 5.910 -9.076 1.00 0.00 N ATOM 0 H LYS A 150 -5.738 6.729 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 150 -2.995 6.357 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.965 5.983 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.358 5.205 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.729 7.982 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.525 6.692 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -6.341 5.448 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -6.710 7.060 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -8.159 6.590 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -7.011 7.819 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -7.463 5.791 -9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.873 6.358 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.381 4.979 -8.716 1.00 0.00 H new ATOM 268 N GLU A 151 -3.834 9.296 -5.152 1.00 0.00 N ATOM 269 CA GLU A 151 -3.331 10.631 -5.455 1.00 0.00 C ATOM 270 C GLU A 151 -2.802 11.312 -4.195 1.00 0.00 C ATOM 271 O GLU A 151 -1.815 12.047 -4.241 1.00 0.00 O ATOM 272 CB GLU A 151 -4.432 11.485 -6.086 1.00 0.00 C ATOM 273 CG GLU A 151 -4.900 10.973 -7.438 1.00 0.00 C ATOM 274 CD GLU A 151 -4.043 11.479 -8.582 1.00 0.00 C ATOM 275 OE1 GLU A 151 -2.995 10.859 -8.858 1.00 0.00 O ATOM 276 OE2 GLU A 151 -4.421 12.496 -9.200 1.00 0.00 O ATOM 0 H GLU A 151 -4.851 9.220 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 151 -2.510 10.529 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -5.284 11.524 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.068 12.506 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -4.887 9.883 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -5.934 11.279 -7.600 1.00 0.00 H new ATOM 283 N CYS A 152 -3.467 11.063 -3.072 1.00 0.00 N ATOM 284 CA CYS A 152 -3.067 11.652 -1.800 1.00 0.00 C ATOM 285 C CYS A 152 -1.547 11.693 -1.673 1.00 0.00 C ATOM 286 O CYS A 152 -0.843 10.858 -2.241 1.00 0.00 O ATOM 287 CB CYS A 152 -3.665 10.858 -0.636 1.00 0.00 C ATOM 288 SG CYS A 152 -3.747 11.783 0.931 1.00 0.00 S ATOM 0 H CYS A 152 -4.286 10.457 -3.017 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.445 12.674 -1.767 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.670 10.536 -0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.072 9.956 -0.483 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.850 12.470 0.972 1.00 0.00 H new ATOM 293 N LYS A 153 -1.048 12.671 -0.925 1.00 0.00 N ATOM 294 CA LYS A 153 0.388 12.822 -0.721 1.00 0.00 C ATOM 295 C LYS A 153 0.810 12.247 0.627 1.00 0.00 C ATOM 296 O LYS A 153 1.843 11.586 0.736 1.00 0.00 O ATOM 297 CB LYS A 153 0.783 14.298 -0.804 1.00 0.00 C ATOM 298 CG LYS A 153 0.855 14.830 -2.225 1.00 0.00 C ATOM 299 CD LYS A 153 2.022 14.226 -2.988 1.00 0.00 C ATOM 300 CE LYS A 153 2.051 14.704 -4.432 1.00 0.00 C ATOM 301 NZ LYS A 153 3.188 14.111 -5.189 1.00 0.00 N ATOM 0 H LYS A 153 -1.617 13.371 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 153 0.901 12.270 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.063 14.890 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.753 14.433 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.076 14.606 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.956 15.915 -2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.957 14.494 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.949 13.139 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 153 1.113 14.441 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 153 2.128 15.791 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 3.173 14.461 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.085 14.383 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 3.101 13.075 -5.190 1.00 0.00 H new ATOM 315 N LEU A 154 0.004 12.502 1.652 1.00 0.00 N ATOM 316 CA LEU A 154 0.293 12.008 2.994 1.00 0.00 C ATOM 317 C LEU A 154 0.840 10.585 2.944 1.00 0.00 C ATOM 318 O LEU A 154 0.619 9.841 1.988 1.00 0.00 O ATOM 319 CB LEU A 154 -0.969 12.051 3.857 1.00 0.00 C ATOM 320 CG LEU A 154 -1.360 13.424 4.406 1.00 0.00 C ATOM 321 CD1 LEU A 154 -2.727 13.364 5.069 1.00 0.00 C ATOM 322 CD2 LEU A 154 -0.311 13.925 5.388 1.00 0.00 C ATOM 0 H LEU A 154 -0.855 13.048 1.579 1.00 0.00 H new ATOM 0 HA LEU A 154 1.051 12.654 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.802 11.667 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.833 11.371 4.698 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.413 14.125 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -2.988 14.350 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.472 13.050 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -2.702 12.649 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.606 14.903 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -0.225 13.224 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.651 14.008 4.882 1.00 0.00 H new ATOM 334 N PRO A 155 1.570 10.194 4.000 1.00 0.00 N ATOM 335 CA PRO A 155 2.161 8.856 4.101 1.00 0.00 C ATOM 336 C PRO A 155 1.109 7.771 4.303 1.00 0.00 C ATOM 337 O PRO A 155 0.359 7.774 5.279 1.00 0.00 O ATOM 338 CB PRO A 155 3.064 8.961 5.333 1.00 0.00 C ATOM 339 CG PRO A 155 2.462 10.049 6.153 1.00 0.00 C ATOM 340 CD PRO A 155 1.873 11.027 5.175 1.00 0.00 C ATOM 0 HA PRO A 155 2.689 8.573 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.093 8.021 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.090 9.198 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.696 9.656 6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.215 10.528 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 155 0.976 11.502 5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.575 11.824 4.932 1.00 0.00 H new ATOM 348 N PRO A 156 1.050 6.820 3.359 1.00 0.00 N ATOM 349 CA PRO A 156 0.094 5.710 3.412 1.00 0.00 C ATOM 350 C PRO A 156 0.415 4.721 4.527 1.00 0.00 C ATOM 351 O PRO A 156 1.581 4.450 4.811 1.00 0.00 O ATOM 352 CB PRO A 156 0.250 5.042 2.043 1.00 0.00 C ATOM 353 CG PRO A 156 1.633 5.387 1.609 1.00 0.00 C ATOM 354 CD PRO A 156 1.913 6.755 2.168 1.00 0.00 C ATOM 0 HA PRO A 156 -0.919 6.054 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 156 0.114 3.963 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.491 5.412 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 156 2.352 4.658 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.713 5.386 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.965 6.876 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.669 7.539 1.452 1.00 0.00 H new ATOM 362 N GLN A 157 -0.627 4.186 5.155 1.00 0.00 N ATOM 363 CA GLN A 157 -0.455 3.227 6.240 1.00 0.00 C ATOM 364 C GLN A 157 0.107 1.909 5.717 1.00 0.00 C ATOM 365 O GLN A 157 -0.077 1.545 4.555 1.00 0.00 O ATOM 366 CB GLN A 157 -1.788 2.981 6.948 1.00 0.00 C ATOM 367 CG GLN A 157 -2.373 4.227 7.593 1.00 0.00 C ATOM 368 CD GLN A 157 -1.345 5.014 8.381 1.00 0.00 C ATOM 369 OE1 GLN A 157 -0.743 4.500 9.324 1.00 0.00 O ATOM 370 NE2 GLN A 157 -1.137 6.268 7.997 1.00 0.00 N ATOM 0 H GLN A 157 -1.599 4.400 4.931 1.00 0.00 H new ATOM 0 HA GLN A 157 0.255 3.647 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.504 2.584 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.648 2.217 7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -2.799 4.866 6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -3.190 3.939 8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -1.659 6.653 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -0.456 6.846 8.489 1.00 0.00 H new ATOM 379 N PRO A 158 0.810 1.176 6.593 1.00 0.00 N ATOM 380 CA PRO A 158 1.414 -0.113 6.242 1.00 0.00 C ATOM 381 C PRO A 158 0.369 -1.201 6.020 1.00 0.00 C ATOM 382 O PRO A 158 0.699 -2.384 5.926 1.00 0.00 O ATOM 383 CB PRO A 158 2.279 -0.443 7.460 1.00 0.00 C ATOM 384 CG PRO A 158 1.641 0.291 8.588 1.00 0.00 C ATOM 385 CD PRO A 158 1.070 1.548 7.993 1.00 0.00 C ATOM 0 HA PRO A 158 1.973 -0.060 5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.303 -1.516 7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.310 -0.122 7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.860 -0.311 9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.370 0.523 9.365 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.157 1.855 8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.770 2.380 8.064 1.00 0.00 H new ATOM 393 N LYS A 159 -0.894 -0.795 5.938 1.00 0.00 N ATOM 394 CA LYS A 159 -1.988 -1.734 5.725 1.00 0.00 C ATOM 395 C LYS A 159 -1.664 -2.700 4.589 1.00 0.00 C ATOM 396 O LYS A 159 -0.627 -2.581 3.936 1.00 0.00 O ATOM 397 CB LYS A 159 -3.282 -0.980 5.414 1.00 0.00 C ATOM 398 CG LYS A 159 -3.909 -0.320 6.630 1.00 0.00 C ATOM 399 CD LYS A 159 -4.807 -1.285 7.386 1.00 0.00 C ATOM 400 CE LYS A 159 -3.997 -2.243 8.246 1.00 0.00 C ATOM 401 NZ LYS A 159 -4.792 -2.769 9.390 1.00 0.00 N ATOM 0 H LYS A 159 -1.185 0.180 6.016 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.122 -2.310 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.077 -0.217 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.000 -1.673 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.124 0.044 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.489 0.548 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.497 -0.724 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.411 -1.852 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -3.648 -3.074 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -3.112 -1.732 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -4.205 -3.418 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -5.104 -1.978 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -5.624 -3.279 9.029 1.00 0.00 H new ATOM 415 N LYS A 160 -2.559 -3.654 4.357 1.00 0.00 N ATOM 416 CA LYS A 160 -2.370 -4.639 3.298 1.00 0.00 C ATOM 417 C LYS A 160 -2.175 -3.955 1.948 1.00 0.00 C ATOM 418 O LYS A 160 -2.401 -2.753 1.812 1.00 0.00 O ATOM 419 CB LYS A 160 -3.571 -5.585 3.234 1.00 0.00 C ATOM 420 CG LYS A 160 -4.900 -4.870 3.065 1.00 0.00 C ATOM 421 CD LYS A 160 -6.069 -5.774 3.420 1.00 0.00 C ATOM 422 CE LYS A 160 -7.402 -5.096 3.145 1.00 0.00 C ATOM 423 NZ LYS A 160 -7.654 -3.966 4.081 1.00 0.00 N ATOM 0 H LYS A 160 -3.423 -3.766 4.888 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.473 -5.215 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -3.433 -6.278 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -3.602 -6.181 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.920 -3.983 3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -5.002 -4.529 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -6.004 -6.697 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -6.010 -6.050 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -7.417 -4.728 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -8.206 -5.827 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -8.587 -3.552 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -7.631 -4.315 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -6.920 -3.240 3.955 1.00 0.00 H new ATOM 437 N CYS A 161 -1.755 -4.730 0.954 1.00 0.00 N ATOM 438 CA CYS A 161 -1.530 -4.200 -0.386 1.00 0.00 C ATOM 439 C CYS A 161 -2.760 -3.447 -0.886 1.00 0.00 C ATOM 440 O CYS A 161 -3.835 -4.026 -1.042 1.00 0.00 O ATOM 441 CB CYS A 161 -1.184 -5.333 -1.354 1.00 0.00 C ATOM 442 SG CYS A 161 -1.142 -4.829 -3.104 1.00 0.00 S ATOM 0 H CYS A 161 -1.563 -5.727 1.051 1.00 0.00 H new ATOM 0 HA CYS A 161 -0.693 -3.503 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -0.212 -5.745 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.914 -6.134 -1.235 1.00 0.00 H new ATOM 0 HG CYS A 161 -0.592 -3.655 -3.205 1.00 0.00 H new ATOM 447 N HIS A 162 -2.592 -2.152 -1.137 1.00 0.00 N ATOM 448 CA HIS A 162 -3.688 -1.320 -1.621 1.00 0.00 C ATOM 449 C HIS A 162 -3.813 -1.415 -3.139 1.00 0.00 C ATOM 450 O HIS A 162 -4.088 -0.422 -3.813 1.00 0.00 O ATOM 451 CB HIS A 162 -3.472 0.136 -1.206 1.00 0.00 C ATOM 452 CG HIS A 162 -2.500 0.870 -2.079 1.00 0.00 C ATOM 453 ND1 HIS A 162 -2.856 1.950 -2.859 1.00 0.00 N ATOM 454 CD2 HIS A 162 -1.178 0.674 -2.291 1.00 0.00 C ATOM 455 CE1 HIS A 162 -1.795 2.386 -3.514 1.00 0.00 C ATOM 456 NE2 HIS A 162 -0.763 1.628 -3.187 1.00 0.00 N ATOM 0 H HIS A 162 -1.709 -1.657 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 162 -4.613 -1.684 -1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -4.430 0.656 -1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -3.115 0.163 -0.176 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -3.792 2.350 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -0.564 -0.091 -1.839 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -1.774 3.220 -4.200 1.00 0.00 H new ATOM 464 N PHE A 163 -3.610 -2.616 -3.670 1.00 0.00 N ATOM 465 CA PHE A 163 -3.699 -2.841 -5.108 1.00 0.00 C ATOM 466 C PHE A 163 -4.540 -4.077 -5.414 1.00 0.00 C ATOM 467 O PHE A 163 -5.514 -4.009 -6.164 1.00 0.00 O ATOM 468 CB PHE A 163 -2.301 -3.000 -5.708 1.00 0.00 C ATOM 469 CG PHE A 163 -2.278 -2.912 -7.207 1.00 0.00 C ATOM 470 CD1 PHE A 163 -2.475 -1.698 -7.846 1.00 0.00 C ATOM 471 CD2 PHE A 163 -2.060 -4.043 -7.978 1.00 0.00 C ATOM 472 CE1 PHE A 163 -2.455 -1.614 -9.226 1.00 0.00 C ATOM 473 CE2 PHE A 163 -2.038 -3.964 -9.357 1.00 0.00 C ATOM 474 CZ PHE A 163 -2.237 -2.749 -9.982 1.00 0.00 C ATOM 0 H PHE A 163 -3.383 -3.448 -3.126 1.00 0.00 H new ATOM 0 HA PHE A 163 -4.183 -1.974 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -1.648 -2.230 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -1.891 -3.962 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -2.646 -0.807 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -1.906 -4.997 -7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -2.610 -0.662 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -1.865 -4.852 -9.946 1.00 0.00 H new ATOM 0 HZ PHE A 163 -2.222 -2.686 -11.060 1.00 0.00 H new ATOM 484 N CYS A 164 -4.156 -5.206 -4.829 1.00 0.00 N ATOM 485 CA CYS A 164 -4.872 -6.459 -5.039 1.00 0.00 C ATOM 486 C CYS A 164 -5.251 -7.098 -3.706 1.00 0.00 C ATOM 487 O CYS A 164 -5.484 -8.304 -3.630 1.00 0.00 O ATOM 488 CB CYS A 164 -4.017 -7.428 -5.858 1.00 0.00 C ATOM 489 SG CYS A 164 -2.568 -8.077 -4.965 1.00 0.00 S ATOM 0 H CYS A 164 -3.352 -5.279 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 164 -5.787 -6.239 -5.589 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -4.639 -8.265 -6.176 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -3.677 -6.922 -6.761 1.00 0.00 H new ATOM 0 HG CYS A 164 -1.909 -8.888 -5.738 1.00 0.00 H new ATOM 494 N GLN A 165 -5.310 -6.281 -2.660 1.00 0.00 N ATOM 495 CA GLN A 165 -5.661 -6.768 -1.331 1.00 0.00 C ATOM 496 C GLN A 165 -4.914 -8.058 -1.009 1.00 0.00 C ATOM 497 O GLN A 165 -5.482 -8.989 -0.437 1.00 0.00 O ATOM 498 CB GLN A 165 -7.169 -6.998 -1.230 1.00 0.00 C ATOM 499 CG GLN A 165 -7.998 -5.799 -1.660 1.00 0.00 C ATOM 500 CD GLN A 165 -8.070 -4.726 -0.592 1.00 0.00 C ATOM 501 OE1 GLN A 165 -9.089 -4.573 0.083 1.00 0.00 O ATOM 502 NE2 GLN A 165 -6.987 -3.975 -0.433 1.00 0.00 N ATOM 0 H GLN A 165 -5.120 -5.280 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 165 -5.368 -6.010 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -7.439 -7.856 -1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -7.421 -7.253 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -7.571 -5.374 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -9.007 -6.129 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.165 -4.137 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.977 -3.236 0.270 1.00 0.00 H new ATOM 511 N SER A 166 -3.639 -8.107 -1.381 1.00 0.00 N ATOM 512 CA SER A 166 -2.816 -9.286 -1.136 1.00 0.00 C ATOM 513 C SER A 166 -2.153 -9.209 0.236 1.00 0.00 C ATOM 514 O SER A 166 -0.960 -8.923 0.345 1.00 0.00 O ATOM 515 CB SER A 166 -1.750 -9.424 -2.224 1.00 0.00 C ATOM 516 OG SER A 166 -0.691 -10.264 -1.797 1.00 0.00 O ATOM 0 H SER A 166 -3.153 -7.344 -1.853 1.00 0.00 H new ATOM 0 HA SER A 166 -3.463 -10.163 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 166 -2.200 -9.832 -3.129 1.00 0.00 H new ATOM 0 HB3 SER A 166 -1.357 -8.440 -2.480 1.00 0.00 H new ATOM 0 HG SER A 166 -0.620 -11.033 -2.400 1.00 0.00 H new ATOM 522 N ILE A 167 -2.934 -9.467 1.279 1.00 0.00 N ATOM 523 CA ILE A 167 -2.423 -9.428 2.644 1.00 0.00 C ATOM 524 C ILE A 167 -1.061 -10.109 2.740 1.00 0.00 C ATOM 525 O ILE A 167 -0.286 -9.841 3.658 1.00 0.00 O ATOM 526 CB ILE A 167 -3.394 -10.106 3.628 1.00 0.00 C ATOM 527 CG1 ILE A 167 -3.557 -11.587 3.280 1.00 0.00 C ATOM 528 CG2 ILE A 167 -4.742 -9.401 3.612 1.00 0.00 C ATOM 529 CD1 ILE A 167 -4.245 -12.390 4.361 1.00 0.00 C ATOM 0 H ILE A 167 -3.923 -9.705 1.205 1.00 0.00 H new ATOM 0 HA ILE A 167 -2.321 -8.377 2.914 1.00 0.00 H new ATOM 0 HB ILE A 167 -2.979 -10.032 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -4.128 -11.674 2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -2.574 -12.017 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -5.418 -9.892 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -4.611 -8.359 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -5.164 -9.446 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -4.326 -13.430 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -3.664 -12.334 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -5.242 -11.985 4.536 1.00 0.00 H new ATOM 541 N SER A 168 -0.777 -10.990 1.786 1.00 0.00 N ATOM 542 CA SER A 168 0.490 -11.711 1.764 1.00 0.00 C ATOM 543 C SER A 168 1.650 -10.761 1.483 1.00 0.00 C ATOM 544 O SER A 168 2.512 -10.545 2.337 1.00 0.00 O ATOM 545 CB SER A 168 0.453 -12.817 0.708 1.00 0.00 C ATOM 546 OG SER A 168 1.745 -13.359 0.492 1.00 0.00 O ATOM 0 H SER A 168 -1.407 -11.222 1.018 1.00 0.00 H new ATOM 0 HA SER A 168 0.642 -12.161 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 168 -0.227 -13.606 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 168 0.061 -12.418 -0.228 1.00 0.00 H new ATOM 0 HG SER A 168 1.694 -14.065 -0.186 1.00 0.00 H new ATOM 552 N HIS A 169 1.667 -10.196 0.280 1.00 0.00 N ATOM 553 CA HIS A 169 2.721 -9.269 -0.115 1.00 0.00 C ATOM 554 C HIS A 169 2.250 -7.824 0.017 1.00 0.00 C ATOM 555 O HIS A 169 1.095 -7.565 0.353 1.00 0.00 O ATOM 556 CB HIS A 169 3.160 -9.546 -1.553 1.00 0.00 C ATOM 557 CG HIS A 169 2.140 -9.154 -2.577 1.00 0.00 C ATOM 558 ND1 HIS A 169 1.628 -10.036 -3.505 1.00 0.00 N ATOM 559 CD2 HIS A 169 1.533 -7.968 -2.814 1.00 0.00 C ATOM 560 CE1 HIS A 169 0.753 -9.409 -4.271 1.00 0.00 C ATOM 561 NE2 HIS A 169 0.677 -8.152 -3.872 1.00 0.00 N ATOM 0 H HIS A 169 0.963 -10.364 -0.438 1.00 0.00 H new ATOM 0 HA HIS A 169 3.571 -9.418 0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 169 4.087 -9.008 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 169 3.379 -10.608 -1.659 1.00 0.00 H new ATOM 0 HD2 HIS A 169 1.692 -7.048 -2.272 1.00 0.00 H new ATOM 0 HE1 HIS A 169 0.195 -9.849 -5.084 1.00 0.00 H new ATOM 0 HE2 HIS A 169 0.080 -7.435 -4.283 1.00 0.00 H new ATOM 569 N MET A 170 3.153 -6.886 -0.251 1.00 0.00 N ATOM 570 CA MET A 170 2.829 -5.467 -0.162 1.00 0.00 C ATOM 571 C MET A 170 2.774 -4.834 -1.550 1.00 0.00 C ATOM 572 O MET A 170 3.211 -5.432 -2.533 1.00 0.00 O ATOM 573 CB MET A 170 3.861 -4.739 0.702 1.00 0.00 C ATOM 574 CG MET A 170 3.645 -4.928 2.194 1.00 0.00 C ATOM 575 SD MET A 170 2.422 -3.788 2.869 1.00 0.00 S ATOM 576 CE MET A 170 1.098 -4.920 3.287 1.00 0.00 C ATOM 0 H MET A 170 4.114 -7.083 -0.531 1.00 0.00 H new ATOM 0 HA MET A 170 1.847 -5.373 0.301 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.858 -5.094 0.440 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.830 -3.674 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.325 -5.952 2.384 1.00 0.00 H new ATOM 0 HG3 MET A 170 4.592 -4.789 2.715 1.00 0.00 H new ATOM 0 HE1 MET A 170 0.632 -4.606 4.221 1.00 0.00 H new ATOM 0 HE2 MET A 170 0.353 -4.918 2.492 1.00 0.00 H new ATOM 0 HE3 MET A 170 1.502 -5.926 3.403 1.00 0.00 H new ATOM 586 N VAL A 171 2.233 -3.622 -1.621 1.00 0.00 N ATOM 587 CA VAL A 171 2.121 -2.909 -2.888 1.00 0.00 C ATOM 588 C VAL A 171 3.497 -2.590 -3.463 1.00 0.00 C ATOM 589 O VAL A 171 3.696 -2.620 -4.677 1.00 0.00 O ATOM 590 CB VAL A 171 1.329 -1.598 -2.726 1.00 0.00 C ATOM 591 CG1 VAL A 171 2.109 -0.603 -1.881 1.00 0.00 C ATOM 592 CG2 VAL A 171 0.993 -1.007 -4.087 1.00 0.00 C ATOM 0 H VAL A 171 1.866 -3.114 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 171 1.587 -3.566 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 171 0.394 -1.820 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 171 1.533 0.317 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 171 2.293 -1.029 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 171 3.061 -0.383 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 171 0.433 -0.081 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 171 1.914 -0.799 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 171 0.390 -1.717 -4.653 1.00 0.00 H new ATOM 602 N ALA A 172 4.444 -2.286 -2.582 1.00 0.00 N ATOM 603 CA ALA A 172 5.803 -1.965 -3.001 1.00 0.00 C ATOM 604 C ALA A 172 6.416 -3.109 -3.800 1.00 0.00 C ATOM 605 O ALA A 172 7.229 -2.887 -4.698 1.00 0.00 O ATOM 606 CB ALA A 172 6.666 -1.642 -1.790 1.00 0.00 C ATOM 0 H ALA A 172 4.295 -2.255 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 172 5.760 -1.088 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 172 7.678 -1.404 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 172 6.245 -0.787 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 172 6.694 -2.503 -1.123 1.00 0.00 H new ATOM 612 N SER A 173 6.022 -4.334 -3.468 1.00 0.00 N ATOM 613 CA SER A 173 6.537 -5.515 -4.153 1.00 0.00 C ATOM 614 C SER A 173 5.543 -6.013 -5.199 1.00 0.00 C ATOM 615 O SER A 173 5.929 -6.607 -6.205 1.00 0.00 O ATOM 616 CB SER A 173 6.833 -6.626 -3.145 1.00 0.00 C ATOM 617 OG SER A 173 7.703 -6.170 -2.124 1.00 0.00 O ATOM 0 H SER A 173 5.348 -4.535 -2.729 1.00 0.00 H new ATOM 0 HA SER A 173 7.462 -5.237 -4.659 1.00 0.00 H new ATOM 0 HB2 SER A 173 5.901 -6.978 -2.703 1.00 0.00 H new ATOM 0 HB3 SER A 173 7.283 -7.476 -3.658 1.00 0.00 H new ATOM 0 HG SER A 173 7.875 -6.898 -1.491 1.00 0.00 H new ATOM 623 N CYS A 174 4.261 -5.766 -4.952 1.00 0.00 N ATOM 624 CA CYS A 174 3.210 -6.189 -5.870 1.00 0.00 C ATOM 625 C CYS A 174 3.689 -6.112 -7.317 1.00 0.00 C ATOM 626 O CYS A 174 3.947 -5.036 -7.856 1.00 0.00 O ATOM 627 CB CYS A 174 1.964 -5.319 -5.687 1.00 0.00 C ATOM 628 SG CYS A 174 0.473 -5.976 -6.502 1.00 0.00 S ATOM 0 H CYS A 174 3.925 -5.275 -4.124 1.00 0.00 H new ATOM 0 HA CYS A 174 2.959 -7.225 -5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 174 1.764 -5.209 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 174 2.169 -4.322 -6.077 1.00 0.00 H new ATOM 0 HG CYS A 174 -0.212 -4.995 -7.010 1.00 0.00 H new ATOM 633 N PRO A 175 3.811 -7.282 -7.962 1.00 0.00 N ATOM 634 CA PRO A 175 4.258 -7.375 -9.355 1.00 0.00 C ATOM 635 C PRO A 175 3.223 -6.831 -10.334 1.00 0.00 C ATOM 636 O PRO A 175 3.565 -6.146 -11.298 1.00 0.00 O ATOM 637 CB PRO A 175 4.454 -8.879 -9.565 1.00 0.00 C ATOM 638 CG PRO A 175 3.547 -9.521 -8.573 1.00 0.00 C ATOM 639 CD PRO A 175 3.520 -8.604 -7.381 1.00 0.00 C ATOM 0 HA PRO A 175 5.157 -6.785 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 175 4.199 -9.173 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.491 -9.170 -9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.547 -9.653 -8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 175 3.910 -10.511 -8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 175 2.550 -8.620 -6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.264 -8.889 -6.638 1.00 0.00 H new ATOM 647 N LEU A 176 1.956 -7.139 -10.079 1.00 0.00 N ATOM 648 CA LEU A 176 0.869 -6.680 -10.938 1.00 0.00 C ATOM 649 C LEU A 176 0.957 -5.175 -11.170 1.00 0.00 C ATOM 650 O LEU A 176 0.749 -4.694 -12.284 1.00 0.00 O ATOM 651 CB LEU A 176 -0.483 -7.034 -10.317 1.00 0.00 C ATOM 652 CG LEU A 176 -0.666 -8.492 -9.893 1.00 0.00 C ATOM 653 CD1 LEU A 176 -1.832 -8.625 -8.927 1.00 0.00 C ATOM 654 CD2 LEU A 176 -0.878 -9.379 -11.112 1.00 0.00 C ATOM 0 H LEU A 176 1.656 -7.704 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 176 0.962 -7.183 -11.900 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -0.636 -6.401 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -1.266 -6.784 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 176 0.240 -8.818 -9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.947 -9.669 -8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.641 -8.021 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.746 -8.280 -9.410 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -1.006 -10.413 -10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -1.768 -9.052 -11.649 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -0.011 -9.308 -11.769 1.00 0.00 H new ATOM 666 N LYS A 177 1.269 -4.436 -10.111 1.00 0.00 N ATOM 667 CA LYS A 177 1.388 -2.986 -10.198 1.00 0.00 C ATOM 668 C LYS A 177 2.563 -2.589 -11.086 1.00 0.00 C ATOM 669 O LYS A 177 2.437 -1.714 -11.943 1.00 0.00 O ATOM 670 CB LYS A 177 1.564 -2.383 -8.802 1.00 0.00 C ATOM 671 CG LYS A 177 1.927 -0.908 -8.818 1.00 0.00 C ATOM 672 CD LYS A 177 1.446 -0.202 -7.561 1.00 0.00 C ATOM 673 CE LYS A 177 1.724 1.292 -7.619 1.00 0.00 C ATOM 674 NZ LYS A 177 3.183 1.582 -7.699 1.00 0.00 N ATOM 0 H LYS A 177 1.444 -4.818 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 177 0.472 -2.597 -10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.640 -2.515 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 177 2.341 -2.934 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 177 3.008 -0.799 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 177 1.486 -0.433 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.376 -0.369 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 177 1.940 -0.631 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 177 1.220 1.722 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 177 1.306 1.774 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 3.341 2.603 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 3.681 1.067 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 3.547 1.278 -8.625 1.00 0.00 H new ATOM 688 N ALA A 178 3.703 -3.239 -10.877 1.00 0.00 N ATOM 689 CA ALA A 178 4.898 -2.956 -11.662 1.00 0.00 C ATOM 690 C ALA A 178 5.020 -3.914 -12.842 1.00 0.00 C ATOM 691 O ALA A 178 6.109 -4.396 -13.150 1.00 0.00 O ATOM 692 CB ALA A 178 6.138 -3.037 -10.783 1.00 0.00 C ATOM 0 H ALA A 178 3.824 -3.965 -10.171 1.00 0.00 H new ATOM 0 HA ALA A 178 4.812 -1.944 -12.058 1.00 0.00 H new ATOM 0 HB1 ALA A 178 7.023 -2.824 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 178 6.061 -2.307 -9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.219 -4.038 -10.360 1.00 0.00 H new