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 -170:sc= -1.34! USER MOD Set 1.2: A 164 CYS SG : rot -105:sc= -3.53! USER MOD Set 1.3: A 166 SER OG : rot 170:sc=-0.00923 USER MOD Set 1.4: A 169 HIS : no HD1:sc= -2.3! K(o=-6.8!,f=-9.7) USER MOD Set 1.5: A 174 CYS SG : rot -140:sc= 0.344 USER MOD Set 2.1: A 140 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 162 HIS : no HE2:sc= -4.26! C(o=-4.3!,f=-5.2!) USER MOD Set 3.1: A 139 CYS SG : rot 171:sc= -2.41 USER MOD Set 3.2: A 142 CYS SG : rot 170:sc= -0.948 USER MOD Set 3.3: A 147 HIS : no HE2:sc= -2.92! X(o=-6!,f=-5.7) USER MOD Set 3.4: A 152 CYS SG : rot 92:sc= 0.319 USER MOD Set 4.1: A 141 ASN : amide:sc= -2.05! C(o=-2.5!,f=-11!) USER MOD Set 4.2: A 157 GLN : amide:sc= -0.479 K(o=-2.5,f=-12!) USER MOD Single : A 148 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.41) USER MOD Single : A 150 LYS NZ :NH3+ -133:sc= -0.714 (180deg=-2.56!) 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+ -137:sc= 0 (180deg=-0.982) USER MOD Single : A 165 GLN : amide:sc= -1.08 X(o=-1.1,f=-1) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 168:sc=-0.00476 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -14.183 3.373 -5.204 1.00 0.00 N ATOM 67 CA ASP A 137 -12.868 3.205 -4.597 1.00 0.00 C ATOM 68 C ASP A 137 -12.369 4.521 -4.008 1.00 0.00 C ATOM 69 O ASP A 137 -11.991 5.436 -4.740 1.00 0.00 O ATOM 70 CB ASP A 137 -11.869 2.682 -5.630 1.00 0.00 C ATOM 71 CG ASP A 137 -10.700 1.959 -4.991 1.00 0.00 C ATOM 72 OD1 ASP A 137 -10.937 0.956 -4.287 1.00 0.00 O ATOM 73 OD2 ASP A 137 -9.548 2.397 -5.195 1.00 0.00 O ATOM 0 HA ASP A 137 -12.958 2.478 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -12.380 2.006 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -11.496 3.516 -6.225 1.00 0.00 H new ATOM 78 N ARG A 138 -12.371 4.609 -2.682 1.00 0.00 N ATOM 79 CA ARG A 138 -11.921 5.813 -1.995 1.00 0.00 C ATOM 80 C ARG A 138 -10.511 5.628 -1.440 1.00 0.00 C ATOM 81 O ARG A 138 -10.118 4.520 -1.073 1.00 0.00 O ATOM 82 CB ARG A 138 -12.884 6.170 -0.862 1.00 0.00 C ATOM 83 CG ARG A 138 -12.214 6.873 0.308 1.00 0.00 C ATOM 84 CD ARG A 138 -13.171 7.044 1.477 1.00 0.00 C ATOM 85 NE ARG A 138 -13.089 5.931 2.420 1.00 0.00 N ATOM 86 CZ ARG A 138 -14.100 5.543 3.188 1.00 0.00 C ATOM 87 NH1 ARG A 138 -15.265 6.174 3.126 1.00 0.00 N ATOM 88 NH2 ARG A 138 -13.948 4.521 4.021 1.00 0.00 N ATOM 0 H ARG A 138 -12.680 3.860 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 138 -11.904 6.628 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -13.674 6.810 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -13.362 5.259 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -11.345 6.299 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -11.851 7.850 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -12.946 7.976 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -14.191 7.126 1.101 1.00 0.00 H new ATOM 0 HE ARG A 138 -12.207 5.424 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -15.386 6.960 2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -16.040 5.873 3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -13.054 4.033 4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -14.725 4.224 4.611 1.00 0.00 H new ATOM 102 N CYS A 139 -9.755 6.719 -1.382 1.00 0.00 N ATOM 103 CA CYS A 139 -8.390 6.678 -0.874 1.00 0.00 C ATOM 104 C CYS A 139 -8.324 5.916 0.447 1.00 0.00 C ATOM 105 O CYS A 139 -9.020 6.253 1.405 1.00 0.00 O ATOM 106 CB CYS A 139 -7.851 8.097 -0.684 1.00 0.00 C ATOM 107 SG CYS A 139 -6.329 8.188 0.313 1.00 0.00 S ATOM 0 H CYS A 139 -10.066 7.643 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 139 -7.772 6.157 -1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -7.658 8.535 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -8.620 8.706 -0.209 1.00 0.00 H new ATOM 0 HG CYS A 139 -5.846 9.394 0.258 1.00 0.00 H new ATOM 112 N TYR A 140 -7.483 4.889 0.490 1.00 0.00 N ATOM 113 CA TYR A 140 -7.328 4.078 1.692 1.00 0.00 C ATOM 114 C TYR A 140 -6.278 4.679 2.622 1.00 0.00 C ATOM 115 O TYR A 140 -5.532 3.957 3.283 1.00 0.00 O ATOM 116 CB TYR A 140 -6.937 2.647 1.320 1.00 0.00 C ATOM 117 CG TYR A 140 -5.861 2.569 0.260 1.00 0.00 C ATOM 118 CD1 TYR A 140 -4.516 2.645 0.600 1.00 0.00 C ATOM 119 CD2 TYR A 140 -6.190 2.421 -1.082 1.00 0.00 C ATOM 120 CE1 TYR A 140 -3.530 2.575 -0.365 1.00 0.00 C ATOM 121 CE2 TYR A 140 -5.211 2.349 -2.053 1.00 0.00 C ATOM 122 CZ TYR A 140 -3.882 2.426 -1.690 1.00 0.00 C ATOM 123 OH TYR A 140 -2.904 2.356 -2.655 1.00 0.00 O ATOM 0 H TYR A 140 -6.898 4.598 -0.293 1.00 0.00 H new ATOM 0 HA TYR A 140 -8.284 4.062 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -6.592 2.129 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -7.822 2.118 0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -4.237 2.761 1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -7.229 2.361 -1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -2.489 2.637 -0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -5.484 2.233 -3.091 1.00 0.00 H new ATOM 0 HH TYR A 140 -2.095 1.957 -2.272 1.00 0.00 H new ATOM 133 N ASN A 141 -6.227 6.006 2.668 1.00 0.00 N ATOM 134 CA ASN A 141 -5.269 6.706 3.516 1.00 0.00 C ATOM 135 C ASN A 141 -5.965 7.769 4.361 1.00 0.00 C ATOM 136 O ASN A 141 -5.803 7.813 5.581 1.00 0.00 O ATOM 137 CB ASN A 141 -4.176 7.352 2.663 1.00 0.00 C ATOM 138 CG ASN A 141 -2.944 7.707 3.472 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.040 8.347 4.520 1.00 0.00 O ATOM 140 ND2 ASN A 141 -1.779 7.293 2.989 1.00 0.00 N ATOM 0 H ASN A 141 -6.838 6.619 2.128 1.00 0.00 H new ATOM 0 HA ASN A 141 -4.814 5.976 4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -3.896 6.670 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.571 8.253 2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.916 7.502 3.490 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -1.747 6.765 2.117 1.00 0.00 H new ATOM 147 N CYS A 142 -6.742 8.624 3.703 1.00 0.00 N ATOM 148 CA CYS A 142 -7.463 9.687 4.392 1.00 0.00 C ATOM 149 C CYS A 142 -8.960 9.604 4.102 1.00 0.00 C ATOM 150 O CYS A 142 -9.785 9.732 5.006 1.00 0.00 O ATOM 151 CB CYS A 142 -6.926 11.055 3.967 1.00 0.00 C ATOM 152 SG CYS A 142 -7.278 11.487 2.233 1.00 0.00 S ATOM 0 H CYS A 142 -6.888 8.601 2.694 1.00 0.00 H new ATOM 0 HA CYS A 142 -7.310 9.561 5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -7.356 11.819 4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.847 11.074 4.123 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.978 12.735 2.027 1.00 0.00 H new ATOM 157 N GLY A 143 -9.301 9.390 2.835 1.00 0.00 N ATOM 158 CA GLY A 143 -10.696 9.293 2.449 1.00 0.00 C ATOM 159 C GLY A 143 -11.119 10.413 1.519 1.00 0.00 C ATOM 160 O GLY A 143 -12.209 10.967 1.657 1.00 0.00 O ATOM 0 H GLY A 143 -8.636 9.282 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.869 8.334 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.319 9.312 3.343 1.00 0.00 H new ATOM 164 N GLY A 144 -10.253 10.749 0.567 1.00 0.00 N ATOM 165 CA GLY A 144 -10.560 11.809 -0.375 1.00 0.00 C ATOM 166 C GLY A 144 -11.191 11.287 -1.650 1.00 0.00 C ATOM 167 O GLY A 144 -10.647 10.394 -2.301 1.00 0.00 O ATOM 0 H GLY A 144 -9.344 10.306 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.236 12.524 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.645 12.349 -0.621 1.00 0.00 H new ATOM 171 N LEU A 145 -12.343 11.844 -2.008 1.00 0.00 N ATOM 172 CA LEU A 145 -13.051 11.428 -3.214 1.00 0.00 C ATOM 173 C LEU A 145 -12.441 12.074 -4.454 1.00 0.00 C ATOM 174 O LEU A 145 -12.204 11.407 -5.461 1.00 0.00 O ATOM 175 CB LEU A 145 -14.533 11.794 -3.111 1.00 0.00 C ATOM 176 CG LEU A 145 -15.286 11.212 -1.915 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.665 11.844 -1.793 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.400 9.700 -2.040 1.00 0.00 C ATOM 0 H LEU A 145 -12.806 12.584 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 145 -12.956 10.346 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.617 12.880 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.032 11.467 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.723 11.440 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -17.186 11.417 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -16.561 12.920 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -17.237 11.648 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -15.939 9.303 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -15.940 9.450 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.403 9.262 -2.077 1.00 0.00 H new ATOM 190 N ASP A 146 -12.187 13.375 -4.372 1.00 0.00 N ATOM 191 CA ASP A 146 -11.601 14.111 -5.486 1.00 0.00 C ATOM 192 C ASP A 146 -10.271 13.493 -5.907 1.00 0.00 C ATOM 193 O ASP A 146 -10.060 13.189 -7.082 1.00 0.00 O ATOM 194 CB ASP A 146 -11.396 15.578 -5.105 1.00 0.00 C ATOM 195 CG ASP A 146 -10.719 15.738 -3.758 1.00 0.00 C ATOM 196 OD1 ASP A 146 -11.418 15.646 -2.728 1.00 0.00 O ATOM 197 OD2 ASP A 146 -9.489 15.954 -3.734 1.00 0.00 O ATOM 0 H ASP A 146 -12.378 13.942 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.291 14.055 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.795 16.068 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -12.362 16.083 -5.085 1.00 0.00 H new ATOM 202 N HIS A 147 -9.377 13.309 -4.940 1.00 0.00 N ATOM 203 CA HIS A 147 -8.068 12.726 -5.211 1.00 0.00 C ATOM 204 C HIS A 147 -8.074 11.226 -4.937 1.00 0.00 C ATOM 205 O HIS A 147 -8.906 10.725 -4.180 1.00 0.00 O ATOM 206 CB HIS A 147 -6.997 13.408 -4.358 1.00 0.00 C ATOM 207 CG HIS A 147 -6.989 12.954 -2.931 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.446 13.733 -1.890 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.576 11.791 -2.375 1.00 0.00 C ATOM 210 CE1 HIS A 147 -7.314 13.070 -0.755 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.788 11.888 -1.022 1.00 0.00 N ATOM 0 H HIS A 147 -9.535 13.555 -3.963 1.00 0.00 H new ATOM 0 HA HIS A 147 -7.838 12.884 -6.265 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.018 13.216 -4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -7.154 14.486 -4.387 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.827 14.675 -1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.157 10.944 -2.898 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -7.589 13.433 0.224 1.00 0.00 H new ATOM 219 N HIS A 148 -7.140 10.512 -5.558 1.00 0.00 N ATOM 220 CA HIS A 148 -7.038 9.068 -5.381 1.00 0.00 C ATOM 221 C HIS A 148 -5.937 8.719 -4.383 1.00 0.00 C ATOM 222 O HIS A 148 -5.033 9.516 -4.139 1.00 0.00 O ATOM 223 CB HIS A 148 -6.761 8.386 -6.722 1.00 0.00 C ATOM 224 CG HIS A 148 -7.861 8.565 -7.722 1.00 0.00 C ATOM 225 ND1 HIS A 148 -9.072 9.148 -7.414 1.00 0.00 N ATOM 226 CD2 HIS A 148 -7.928 8.234 -9.033 1.00 0.00 C ATOM 227 CE1 HIS A 148 -9.836 9.167 -8.491 1.00 0.00 C ATOM 228 NE2 HIS A 148 -9.165 8.619 -9.488 1.00 0.00 N ATOM 0 H HIS A 148 -6.443 10.910 -6.188 1.00 0.00 H new ATOM 0 HA HIS A 148 -7.989 8.708 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -5.835 8.783 -7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -6.604 7.321 -6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -7.153 7.756 -9.613 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -10.839 9.563 -8.547 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -9.510 8.501 -10.441 1.00 0.00 H new ATOM 236 N ALA A 149 -6.022 7.523 -3.810 1.00 0.00 N ATOM 237 CA ALA A 149 -5.033 7.069 -2.840 1.00 0.00 C ATOM 238 C ALA A 149 -3.616 7.282 -3.361 1.00 0.00 C ATOM 239 O ALA A 149 -2.732 7.721 -2.624 1.00 0.00 O ATOM 240 CB ALA A 149 -5.259 5.602 -2.504 1.00 0.00 C ATOM 0 H ALA A 149 -6.765 6.851 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 149 -5.151 7.661 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.514 5.276 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -6.256 5.475 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.170 5.003 -3.410 1.00 0.00 H new ATOM 246 N LYS A 150 -3.405 6.968 -4.634 1.00 0.00 N ATOM 247 CA LYS A 150 -2.095 7.125 -5.255 1.00 0.00 C ATOM 248 C LYS A 150 -1.669 8.590 -5.263 1.00 0.00 C ATOM 249 O LYS A 150 -0.623 8.944 -4.721 1.00 0.00 O ATOM 250 CB LYS A 150 -2.116 6.581 -6.685 1.00 0.00 C ATOM 251 CG LYS A 150 -0.812 6.788 -7.434 1.00 0.00 C ATOM 252 CD LYS A 150 0.211 5.723 -7.079 1.00 0.00 C ATOM 253 CE LYS A 150 -0.080 4.411 -7.791 1.00 0.00 C ATOM 254 NZ LYS A 150 -0.969 3.528 -6.986 1.00 0.00 N ATOM 0 H LYS A 150 -4.125 6.603 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 150 -1.373 6.558 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.343 5.515 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.923 7.064 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -1.001 6.769 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -0.409 7.773 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 150 1.208 6.071 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.210 5.561 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -0.548 4.616 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 150 0.857 3.893 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -0.579 2.564 -6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.032 3.892 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -1.918 3.511 -7.411 1.00 0.00 H new ATOM 268 N GLU A 151 -2.488 9.436 -5.881 1.00 0.00 N ATOM 269 CA GLU A 151 -2.195 10.862 -5.958 1.00 0.00 C ATOM 270 C GLU A 151 -1.955 11.444 -4.568 1.00 0.00 C ATOM 271 O GLU A 151 -1.027 12.227 -4.362 1.00 0.00 O ATOM 272 CB GLU A 151 -3.344 11.605 -6.643 1.00 0.00 C ATOM 273 CG GLU A 151 -3.417 11.365 -8.141 1.00 0.00 C ATOM 274 CD GLU A 151 -2.228 11.943 -8.883 1.00 0.00 C ATOM 275 OE1 GLU A 151 -1.161 11.295 -8.890 1.00 0.00 O ATOM 276 OE2 GLU A 151 -2.366 13.043 -9.458 1.00 0.00 O ATOM 0 H GLU A 151 -3.358 9.159 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 151 -1.287 10.989 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -4.286 11.298 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -3.235 12.674 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.473 10.293 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -4.334 11.806 -8.532 1.00 0.00 H new ATOM 283 N CYS A 152 -2.798 11.057 -3.617 1.00 0.00 N ATOM 284 CA CYS A 152 -2.680 11.540 -2.247 1.00 0.00 C ATOM 285 C CYS A 152 -1.218 11.772 -1.876 1.00 0.00 C ATOM 286 O CYS A 152 -0.323 11.088 -2.373 1.00 0.00 O ATOM 287 CB CYS A 152 -3.312 10.541 -1.275 1.00 0.00 C ATOM 288 SG CYS A 152 -3.757 11.255 0.341 1.00 0.00 S ATOM 0 H CYS A 152 -3.571 10.410 -3.770 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.210 12.490 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.207 10.121 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -2.618 9.716 -1.117 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.989 11.669 0.308 1.00 0.00 H new ATOM 293 N LYS A 153 -0.983 12.742 -0.998 1.00 0.00 N ATOM 294 CA LYS A 153 0.369 13.064 -0.558 1.00 0.00 C ATOM 295 C LYS A 153 0.665 12.432 0.798 1.00 0.00 C ATOM 296 O LYS A 153 1.755 11.904 1.024 1.00 0.00 O ATOM 297 CB LYS A 153 0.552 14.582 -0.476 1.00 0.00 C ATOM 298 CG LYS A 153 0.516 15.273 -1.828 1.00 0.00 C ATOM 299 CD LYS A 153 1.903 15.377 -2.438 1.00 0.00 C ATOM 300 CE LYS A 153 2.204 14.194 -3.345 1.00 0.00 C ATOM 301 NZ LYS A 153 3.495 14.363 -4.068 1.00 0.00 N ATOM 0 H LYS A 153 -1.712 13.319 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 153 1.069 12.658 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -0.230 15.000 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.504 14.799 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.139 14.721 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.091 16.270 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 153 1.982 16.303 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.648 15.427 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 153 2.237 13.281 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 153 1.396 14.075 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 3.664 13.536 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 3.455 15.221 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.270 14.451 -3.380 1.00 0.00 H new ATOM 315 N LEU A 154 -0.311 12.487 1.698 1.00 0.00 N ATOM 316 CA LEU A 154 -0.155 11.918 3.032 1.00 0.00 C ATOM 317 C LEU A 154 0.638 10.616 2.979 1.00 0.00 C ATOM 318 O LEU A 154 0.707 9.943 1.950 1.00 0.00 O ATOM 319 CB LEU A 154 -1.525 11.668 3.664 1.00 0.00 C ATOM 320 CG LEU A 154 -2.253 12.903 4.196 1.00 0.00 C ATOM 321 CD1 LEU A 154 -3.642 12.531 4.693 1.00 0.00 C ATOM 322 CD2 LEU A 154 -1.447 13.561 5.306 1.00 0.00 C ATOM 0 H LEU A 154 -1.219 12.920 1.528 1.00 0.00 H new ATOM 0 HA LEU A 154 0.396 12.633 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -2.163 11.186 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -1.401 10.962 4.485 1.00 0.00 H new ATOM 0 HG LEU A 154 -2.360 13.617 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -4.145 13.422 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.220 12.106 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -3.557 11.798 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -1.981 14.438 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -1.308 12.853 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.474 13.864 4.919 1.00 0.00 H new ATOM 334 N PRO A 155 1.250 10.249 4.115 1.00 0.00 N ATOM 335 CA PRO A 155 2.047 9.023 4.224 1.00 0.00 C ATOM 336 C PRO A 155 1.187 7.765 4.166 1.00 0.00 C ATOM 337 O PRO A 155 0.183 7.638 4.867 1.00 0.00 O ATOM 338 CB PRO A 155 2.711 9.153 5.597 1.00 0.00 C ATOM 339 CG PRO A 155 1.802 10.042 6.375 1.00 0.00 C ATOM 340 CD PRO A 155 1.210 11.002 5.380 1.00 0.00 C ATOM 0 HA PRO A 155 2.754 8.922 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 155 2.820 8.181 6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 155 3.710 9.582 5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.022 9.464 6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 155 2.349 10.574 7.153 1.00 0.00 H new ATOM 0 HD2 PRO A 155 0.192 11.282 5.649 1.00 0.00 H new ATOM 0 HD3 PRO A 155 1.788 11.924 5.318 1.00 0.00 H new ATOM 348 N PRO A 156 1.588 6.813 3.311 1.00 0.00 N ATOM 349 CA PRO A 156 0.868 5.547 3.142 1.00 0.00 C ATOM 350 C PRO A 156 0.992 4.642 4.363 1.00 0.00 C ATOM 351 O PRO A 156 2.093 4.394 4.853 1.00 0.00 O ATOM 352 CB PRO A 156 1.552 4.908 1.931 1.00 0.00 C ATOM 353 CG PRO A 156 2.920 5.497 1.915 1.00 0.00 C ATOM 354 CD PRO A 156 2.775 6.897 2.444 1.00 0.00 C ATOM 0 HA PRO A 156 -0.203 5.702 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 156 1.589 3.823 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 156 1.014 5.130 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 156 3.603 4.915 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 156 3.331 5.502 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 156 3.658 7.209 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 156 2.634 7.618 1.639 1.00 0.00 H new ATOM 362 N GLN A 157 -0.144 4.151 4.848 1.00 0.00 N ATOM 363 CA GLN A 157 -0.161 3.273 6.012 1.00 0.00 C ATOM 364 C GLN A 157 0.287 1.864 5.637 1.00 0.00 C ATOM 365 O GLN A 157 0.168 1.433 4.490 1.00 0.00 O ATOM 366 CB GLN A 157 -1.562 3.230 6.625 1.00 0.00 C ATOM 367 CG GLN A 157 -2.007 4.557 7.219 1.00 0.00 C ATOM 368 CD GLN A 157 -2.764 5.416 6.226 1.00 0.00 C ATOM 369 OE1 GLN A 157 -3.061 4.983 5.112 1.00 0.00 O ATOM 370 NE2 GLN A 157 -3.081 6.642 6.625 1.00 0.00 N ATOM 0 H GLN A 157 -1.064 4.346 4.453 1.00 0.00 H new ATOM 0 HA GLN A 157 0.537 3.673 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.276 2.927 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.586 2.467 7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -2.639 4.369 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -1.133 5.103 7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -2.815 6.960 7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -3.591 7.266 6.000 1.00 0.00 H new ATOM 379 N PRO A 158 0.814 1.127 6.627 1.00 0.00 N ATOM 380 CA PRO A 158 1.289 -0.245 6.425 1.00 0.00 C ATOM 381 C PRO A 158 0.147 -1.223 6.173 1.00 0.00 C ATOM 382 O PRO A 158 0.312 -2.435 6.311 1.00 0.00 O ATOM 383 CB PRO A 158 1.994 -0.573 7.744 1.00 0.00 C ATOM 384 CG PRO A 158 1.346 0.314 8.750 1.00 0.00 C ATOM 385 CD PRO A 158 0.985 1.577 8.018 1.00 0.00 C ATOM 0 HA PRO A 158 1.932 -0.329 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 158 1.873 -1.624 8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.065 -0.382 7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.460 -0.159 9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.022 0.523 9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.071 2.023 8.412 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.769 2.329 8.104 1.00 0.00 H new ATOM 393 N LYS A 159 -1.012 -0.690 5.802 1.00 0.00 N ATOM 394 CA LYS A 159 -2.182 -1.515 5.528 1.00 0.00 C ATOM 395 C LYS A 159 -1.815 -2.703 4.644 1.00 0.00 C ATOM 396 O LYS A 159 -0.682 -2.816 4.177 1.00 0.00 O ATOM 397 CB LYS A 159 -3.273 -0.681 4.853 1.00 0.00 C ATOM 398 CG LYS A 159 -3.808 0.442 5.726 1.00 0.00 C ATOM 399 CD LYS A 159 -4.848 -0.065 6.711 1.00 0.00 C ATOM 400 CE LYS A 159 -5.428 1.070 7.541 1.00 0.00 C ATOM 401 NZ LYS A 159 -5.844 0.611 8.895 1.00 0.00 N ATOM 0 H LYS A 159 -1.166 0.311 5.684 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.559 -1.894 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -2.876 -0.256 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.098 -1.336 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -2.985 0.905 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -4.248 1.215 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.649 -0.568 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -4.396 -0.806 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -4.687 1.864 7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -6.287 1.497 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -6.234 1.414 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -6.569 -0.129 8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -5.020 0.227 9.400 1.00 0.00 H new ATOM 415 N LYS A 160 -2.782 -3.586 4.417 1.00 0.00 N ATOM 416 CA LYS A 160 -2.562 -4.764 3.587 1.00 0.00 C ATOM 417 C LYS A 160 -2.381 -4.373 2.124 1.00 0.00 C ATOM 418 O LYS A 160 -2.941 -3.378 1.663 1.00 0.00 O ATOM 419 CB LYS A 160 -3.736 -5.736 3.724 1.00 0.00 C ATOM 420 CG LYS A 160 -4.988 -5.285 2.991 1.00 0.00 C ATOM 421 CD LYS A 160 -6.164 -6.203 3.279 1.00 0.00 C ATOM 422 CE LYS A 160 -7.488 -5.461 3.176 1.00 0.00 C ATOM 423 NZ LYS A 160 -7.832 -5.132 1.765 1.00 0.00 N ATOM 0 H LYS A 160 -3.726 -3.508 4.796 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.650 -5.254 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -3.435 -6.712 3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -3.970 -5.863 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -5.238 -4.267 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.795 -5.265 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -6.157 -7.036 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -6.060 -6.627 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -8.280 -6.071 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -7.436 -4.542 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -8.196 -4.159 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -6.982 -5.215 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -8.559 -5.792 1.422 1.00 0.00 H new ATOM 437 N CYS A 161 -1.596 -5.162 1.398 1.00 0.00 N ATOM 438 CA CYS A 161 -1.341 -4.899 -0.013 1.00 0.00 C ATOM 439 C CYS A 161 -2.646 -4.654 -0.765 1.00 0.00 C ATOM 440 O CYS A 161 -3.547 -5.493 -0.758 1.00 0.00 O ATOM 441 CB CYS A 161 -0.589 -6.072 -0.645 1.00 0.00 C ATOM 442 SG CYS A 161 -0.472 -5.989 -2.461 1.00 0.00 S ATOM 0 H CYS A 161 -1.125 -5.989 1.764 1.00 0.00 H new ATOM 0 HA CYS A 161 -0.726 -4.002 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.417 -6.111 -0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.086 -7.001 -0.366 1.00 0.00 H new ATOM 0 HG CYS A 161 -0.010 -7.115 -2.918 1.00 0.00 H new ATOM 447 N HIS A 162 -2.741 -3.497 -1.413 1.00 0.00 N ATOM 448 CA HIS A 162 -3.935 -3.141 -2.171 1.00 0.00 C ATOM 449 C HIS A 162 -3.863 -3.695 -3.591 1.00 0.00 C ATOM 450 O HIS A 162 -4.273 -3.037 -4.547 1.00 0.00 O ATOM 451 CB HIS A 162 -4.104 -1.622 -2.213 1.00 0.00 C ATOM 452 CG HIS A 162 -3.239 -0.950 -3.235 1.00 0.00 C ATOM 453 ND1 HIS A 162 -3.747 -0.304 -4.342 1.00 0.00 N ATOM 454 CD2 HIS A 162 -1.894 -0.826 -3.312 1.00 0.00 C ATOM 455 CE1 HIS A 162 -2.750 0.188 -5.057 1.00 0.00 C ATOM 456 NE2 HIS A 162 -1.615 -0.115 -4.453 1.00 0.00 N ATOM 0 H HIS A 162 -2.006 -2.790 -1.428 1.00 0.00 H new ATOM 0 HA HIS A 162 -4.797 -3.582 -1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -5.148 -1.387 -2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -3.875 -1.212 -1.229 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -4.737 -0.219 -4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -1.174 -1.214 -2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -2.847 0.743 -5.978 1.00 0.00 H new ATOM 464 N PHE A 163 -3.339 -4.909 -3.721 1.00 0.00 N ATOM 465 CA PHE A 163 -3.212 -5.552 -5.024 1.00 0.00 C ATOM 466 C PHE A 163 -3.668 -7.006 -4.960 1.00 0.00 C ATOM 467 O PHE A 163 -4.462 -7.457 -5.787 1.00 0.00 O ATOM 468 CB PHE A 163 -1.763 -5.481 -5.511 1.00 0.00 C ATOM 469 CG PHE A 163 -1.605 -5.807 -6.969 1.00 0.00 C ATOM 470 CD1 PHE A 163 -1.621 -7.122 -7.405 1.00 0.00 C ATOM 471 CD2 PHE A 163 -1.441 -4.798 -7.904 1.00 0.00 C ATOM 472 CE1 PHE A 163 -1.475 -7.424 -8.745 1.00 0.00 C ATOM 473 CE2 PHE A 163 -1.294 -5.094 -9.246 1.00 0.00 C ATOM 474 CZ PHE A 163 -1.313 -6.409 -9.667 1.00 0.00 C ATOM 0 H PHE A 163 -2.995 -5.468 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 163 -3.852 -5.020 -5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -1.375 -4.479 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -1.157 -6.171 -4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -1.749 -7.920 -6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -1.428 -3.768 -7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -1.488 -8.453 -9.071 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -1.164 -4.298 -9.964 1.00 0.00 H new ATOM 0 HZ PHE A 163 -1.201 -6.643 -10.715 1.00 0.00 H new ATOM 484 N CYS A 164 -3.161 -7.737 -3.973 1.00 0.00 N ATOM 485 CA CYS A 164 -3.514 -9.141 -3.800 1.00 0.00 C ATOM 486 C CYS A 164 -3.904 -9.429 -2.353 1.00 0.00 C ATOM 487 O CYS A 164 -3.888 -10.578 -1.913 1.00 0.00 O ATOM 488 CB CYS A 164 -2.345 -10.037 -4.213 1.00 0.00 C ATOM 489 SG CYS A 164 -0.892 -9.914 -3.122 1.00 0.00 S ATOM 0 H CYS A 164 -2.503 -7.380 -3.280 1.00 0.00 H new ATOM 0 HA CYS A 164 -4.371 -9.356 -4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -2.684 -11.073 -4.233 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -2.046 -9.780 -5.229 1.00 0.00 H new ATOM 0 HG CYS A 164 0.042 -9.234 -3.718 1.00 0.00 H new ATOM 494 N GLN A 165 -4.253 -8.377 -1.619 1.00 0.00 N ATOM 495 CA GLN A 165 -4.646 -8.518 -0.222 1.00 0.00 C ATOM 496 C GLN A 165 -3.648 -9.384 0.540 1.00 0.00 C ATOM 497 O GLN A 165 -4.028 -10.160 1.416 1.00 0.00 O ATOM 498 CB GLN A 165 -6.046 -9.126 -0.123 1.00 0.00 C ATOM 499 CG GLN A 165 -7.158 -8.155 -0.488 1.00 0.00 C ATOM 500 CD GLN A 165 -7.002 -7.588 -1.885 1.00 0.00 C ATOM 501 OE1 GLN A 165 -6.900 -6.374 -2.067 1.00 0.00 O ATOM 502 NE2 GLN A 165 -6.982 -8.465 -2.882 1.00 0.00 N ATOM 0 H GLN A 165 -4.272 -7.419 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.656 -7.525 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -6.103 -9.994 -0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -6.207 -9.484 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -8.119 -8.664 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.172 -7.337 0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -7.070 -9.462 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.879 -8.141 -3.844 1.00 0.00 H new ATOM 511 N SER A 166 -2.371 -9.245 0.199 1.00 0.00 N ATOM 512 CA SER A 166 -1.318 -10.018 0.848 1.00 0.00 C ATOM 513 C SER A 166 -0.740 -9.257 2.037 1.00 0.00 C ATOM 514 O SER A 166 0.273 -8.567 1.913 1.00 0.00 O ATOM 515 CB SER A 166 -0.208 -10.347 -0.151 1.00 0.00 C ATOM 516 OG SER A 166 0.961 -10.793 0.514 1.00 0.00 O ATOM 0 H SER A 166 -2.040 -8.605 -0.523 1.00 0.00 H new ATOM 0 HA SER A 166 -1.755 -10.948 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 166 -0.553 -11.116 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.023 -9.464 -0.746 1.00 0.00 H new ATOM 0 HG SER A 166 1.596 -11.148 -0.143 1.00 0.00 H new ATOM 522 N ILE A 167 -1.390 -9.387 3.188 1.00 0.00 N ATOM 523 CA ILE A 167 -0.940 -8.713 4.400 1.00 0.00 C ATOM 524 C ILE A 167 0.543 -8.965 4.651 1.00 0.00 C ATOM 525 O ILE A 167 1.191 -8.228 5.394 1.00 0.00 O ATOM 526 CB ILE A 167 -1.743 -9.171 5.631 1.00 0.00 C ATOM 527 CG1 ILE A 167 -1.608 -10.684 5.821 1.00 0.00 C ATOM 528 CG2 ILE A 167 -3.206 -8.779 5.485 1.00 0.00 C ATOM 529 CD1 ILE A 167 -2.149 -11.177 7.145 1.00 0.00 C ATOM 0 H ILE A 167 -2.230 -9.953 3.307 1.00 0.00 H new ATOM 0 HA ILE A 167 -1.104 -7.646 4.247 1.00 0.00 H new ATOM 0 HB ILE A 167 -1.340 -8.675 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -2.132 -11.192 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 167 -0.556 -10.960 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -3.761 -9.110 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -3.285 -7.696 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -3.622 -9.250 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 167 -2.020 -12.257 7.211 1.00 0.00 H new ATOM 0 HD12 ILE A 167 -1.608 -10.697 7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -3.209 -10.933 7.219 1.00 0.00 H new ATOM 541 N SER A 168 1.073 -10.011 4.026 1.00 0.00 N ATOM 542 CA SER A 168 2.480 -10.363 4.183 1.00 0.00 C ATOM 543 C SER A 168 3.380 -9.259 3.635 1.00 0.00 C ATOM 544 O SER A 168 4.010 -8.522 4.394 1.00 0.00 O ATOM 545 CB SER A 168 2.780 -11.683 3.470 1.00 0.00 C ATOM 546 OG SER A 168 2.219 -12.780 4.170 1.00 0.00 O ATOM 0 H SER A 168 0.550 -10.630 3.406 1.00 0.00 H new ATOM 0 HA SER A 168 2.684 -10.479 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 168 2.380 -11.651 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 168 3.858 -11.816 3.383 1.00 0.00 H new ATOM 0 HG SER A 168 2.423 -13.611 3.693 1.00 0.00 H new ATOM 552 N HIS A 169 3.436 -9.152 2.312 1.00 0.00 N ATOM 553 CA HIS A 169 4.258 -8.139 1.661 1.00 0.00 C ATOM 554 C HIS A 169 3.436 -6.893 1.344 1.00 0.00 C ATOM 555 O HIS A 169 2.219 -6.878 1.527 1.00 0.00 O ATOM 556 CB HIS A 169 4.873 -8.698 0.377 1.00 0.00 C ATOM 557 CG HIS A 169 3.886 -8.867 -0.736 1.00 0.00 C ATOM 558 ND1 HIS A 169 3.674 -10.069 -1.378 1.00 0.00 N ATOM 559 CD2 HIS A 169 3.049 -7.978 -1.319 1.00 0.00 C ATOM 560 CE1 HIS A 169 2.751 -9.912 -2.309 1.00 0.00 C ATOM 561 NE2 HIS A 169 2.354 -8.652 -2.294 1.00 0.00 N ATOM 0 H HIS A 169 2.922 -9.755 1.669 1.00 0.00 H new ATOM 0 HA HIS A 169 5.058 -7.861 2.347 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.670 -8.033 0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 169 5.332 -9.663 0.594 1.00 0.00 H new ATOM 0 HD2 HIS A 169 2.946 -6.933 -1.065 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.383 -10.683 -2.970 1.00 0.00 H new ATOM 0 HE2 HIS A 169 1.647 -8.246 -2.906 1.00 0.00 H new ATOM 569 N MET A 170 4.110 -5.850 0.869 1.00 0.00 N ATOM 570 CA MET A 170 3.441 -4.600 0.527 1.00 0.00 C ATOM 571 C MET A 170 3.377 -4.414 -0.985 1.00 0.00 C ATOM 572 O MET A 170 4.223 -4.926 -1.720 1.00 0.00 O ATOM 573 CB MET A 170 4.167 -3.416 1.168 1.00 0.00 C ATOM 574 CG MET A 170 3.905 -3.278 2.659 1.00 0.00 C ATOM 575 SD MET A 170 4.867 -4.442 3.644 1.00 0.00 S ATOM 576 CE MET A 170 5.942 -3.322 4.538 1.00 0.00 C ATOM 0 H MET A 170 5.118 -5.846 0.712 1.00 0.00 H new ATOM 0 HA MET A 170 2.423 -4.644 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 170 5.239 -3.526 1.004 1.00 0.00 H new ATOM 0 HB3 MET A 170 3.860 -2.498 0.667 1.00 0.00 H new ATOM 0 HG2 MET A 170 4.141 -2.261 2.973 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.844 -3.434 2.853 1.00 0.00 H new ATOM 0 HE1 MET A 170 6.600 -3.894 5.192 1.00 0.00 H new ATOM 0 HE2 MET A 170 6.542 -2.751 3.830 1.00 0.00 H new ATOM 0 HE3 MET A 170 5.339 -2.639 5.137 1.00 0.00 H new ATOM 586 N VAL A 171 2.370 -3.679 -1.445 1.00 0.00 N ATOM 587 CA VAL A 171 2.197 -3.425 -2.870 1.00 0.00 C ATOM 588 C VAL A 171 3.498 -2.947 -3.505 1.00 0.00 C ATOM 589 O VAL A 171 3.742 -3.172 -4.690 1.00 0.00 O ATOM 590 CB VAL A 171 1.099 -2.375 -3.124 1.00 0.00 C ATOM 591 CG1 VAL A 171 1.560 -0.999 -2.668 1.00 0.00 C ATOM 592 CG2 VAL A 171 0.710 -2.356 -4.594 1.00 0.00 C ATOM 0 H VAL A 171 1.661 -3.249 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 171 1.899 -4.369 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 171 0.218 -2.648 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 171 0.771 -0.270 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 171 1.784 -1.025 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 171 2.456 -0.714 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -0.067 -1.608 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 171 1.583 -2.108 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 171 0.335 -3.337 -4.884 1.00 0.00 H new ATOM 602 N ALA A 172 4.331 -2.286 -2.708 1.00 0.00 N ATOM 603 CA ALA A 172 5.609 -1.778 -3.191 1.00 0.00 C ATOM 604 C ALA A 172 6.542 -2.920 -3.580 1.00 0.00 C ATOM 605 O ALA A 172 7.354 -2.786 -4.495 1.00 0.00 O ATOM 606 CB ALA A 172 6.261 -0.898 -2.135 1.00 0.00 C ATOM 0 H ALA A 172 4.144 -2.090 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 172 5.420 -1.178 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 172 7.215 -0.526 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 172 5.607 -0.056 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 172 6.430 -1.481 -1.229 1.00 0.00 H new ATOM 612 N SER A 173 6.421 -4.042 -2.878 1.00 0.00 N ATOM 613 CA SER A 173 7.257 -5.206 -3.147 1.00 0.00 C ATOM 614 C SER A 173 6.500 -6.239 -3.977 1.00 0.00 C ATOM 615 O SER A 173 7.103 -7.061 -4.668 1.00 0.00 O ATOM 616 CB SER A 173 7.728 -5.836 -1.835 1.00 0.00 C ATOM 617 OG SER A 173 8.412 -4.890 -1.032 1.00 0.00 O ATOM 0 H SER A 173 5.752 -4.170 -2.119 1.00 0.00 H new ATOM 0 HA SER A 173 8.126 -4.875 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 173 6.871 -6.229 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 173 8.385 -6.679 -2.048 1.00 0.00 H new ATOM 0 HG SER A 173 8.701 -5.317 -0.199 1.00 0.00 H new ATOM 623 N CYS A 174 5.174 -6.190 -3.904 1.00 0.00 N ATOM 624 CA CYS A 174 4.332 -7.120 -4.647 1.00 0.00 C ATOM 625 C CYS A 174 4.924 -7.409 -6.023 1.00 0.00 C ATOM 626 O CYS A 174 5.187 -6.504 -6.816 1.00 0.00 O ATOM 627 CB CYS A 174 2.918 -6.553 -4.796 1.00 0.00 C ATOM 628 SG CYS A 174 1.677 -7.780 -5.319 1.00 0.00 S ATOM 0 H CYS A 174 4.659 -5.516 -3.338 1.00 0.00 H new ATOM 0 HA CYS A 174 4.284 -8.055 -4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 174 2.609 -6.122 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 174 2.938 -5.740 -5.522 1.00 0.00 H new ATOM 0 HG CYS A 174 0.864 -7.237 -6.176 1.00 0.00 H new ATOM 633 N PRO A 175 5.138 -8.700 -6.316 1.00 0.00 N ATOM 634 CA PRO A 175 5.700 -9.139 -7.597 1.00 0.00 C ATOM 635 C PRO A 175 4.729 -8.936 -8.756 1.00 0.00 C ATOM 636 O PRO A 175 5.125 -8.516 -9.844 1.00 0.00 O ATOM 637 CB PRO A 175 5.964 -10.631 -7.376 1.00 0.00 C ATOM 638 CG PRO A 175 5.002 -11.032 -6.311 1.00 0.00 C ATOM 639 CD PRO A 175 4.847 -9.832 -5.419 1.00 0.00 C ATOM 0 HA PRO A 175 6.589 -8.570 -7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 175 5.802 -11.201 -8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 175 6.994 -10.809 -7.067 1.00 0.00 H new ATOM 0 HG2 PRO A 175 4.044 -11.325 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 175 5.375 -11.889 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 175 3.841 -9.767 -5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 175 5.538 -9.865 -4.577 1.00 0.00 H new ATOM 647 N LEU A 176 3.458 -9.235 -8.516 1.00 0.00 N ATOM 648 CA LEU A 176 2.430 -9.085 -9.540 1.00 0.00 C ATOM 649 C LEU A 176 2.461 -7.683 -10.141 1.00 0.00 C ATOM 650 O LEU A 176 2.307 -7.511 -11.350 1.00 0.00 O ATOM 651 CB LEU A 176 1.048 -9.368 -8.949 1.00 0.00 C ATOM 652 CG LEU A 176 0.876 -10.723 -8.262 1.00 0.00 C ATOM 653 CD1 LEU A 176 -0.411 -10.752 -7.452 1.00 0.00 C ATOM 654 CD2 LEU A 176 0.887 -11.846 -9.289 1.00 0.00 C ATOM 0 H LEU A 176 3.114 -9.583 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 176 2.634 -9.805 -10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 176 0.817 -8.585 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 176 0.311 -9.292 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 176 1.713 -10.872 -7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.516 -11.724 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -0.380 -9.972 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.261 -10.581 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 176 0.763 -12.803 -8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 176 0.070 -11.701 -9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 176 1.836 -11.839 -9.826 1.00 0.00 H new ATOM 666 N LYS A 177 2.663 -6.684 -9.288 1.00 0.00 N ATOM 667 CA LYS A 177 2.719 -5.297 -9.734 1.00 0.00 C ATOM 668 C LYS A 177 4.049 -4.998 -10.418 1.00 0.00 C ATOM 669 O LYS A 177 4.081 -4.539 -11.560 1.00 0.00 O ATOM 670 CB LYS A 177 2.519 -4.350 -8.549 1.00 0.00 C ATOM 671 CG LYS A 177 2.768 -2.891 -8.887 1.00 0.00 C ATOM 672 CD LYS A 177 2.824 -2.030 -7.636 1.00 0.00 C ATOM 673 CE LYS A 177 2.924 -0.552 -7.980 1.00 0.00 C ATOM 674 NZ LYS A 177 1.664 -0.037 -8.584 1.00 0.00 N ATOM 0 H LYS A 177 2.791 -6.809 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 177 1.917 -5.141 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 177 1.501 -4.459 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 177 3.188 -4.646 -7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 177 3.705 -2.799 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 177 1.977 -2.529 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 177 1.933 -2.205 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 177 3.682 -2.322 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 177 3.153 0.016 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 177 3.750 -0.396 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 1.694 1.002 -8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 1.563 -0.411 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 0.853 -0.342 -8.008 1.00 0.00 H new ATOM 688 N ALA A 178 5.144 -5.262 -9.713 1.00 0.00 N ATOM 689 CA ALA A 178 6.476 -5.025 -10.254 1.00 0.00 C ATOM 690 C ALA A 178 6.607 -5.596 -11.662 1.00 0.00 C ATOM 691 O ALA A 178 6.888 -4.867 -12.613 1.00 0.00 O ATOM 692 CB ALA A 178 7.533 -5.625 -9.338 1.00 0.00 C ATOM 0 H ALA A 178 5.135 -5.640 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 178 6.631 -3.948 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.523 -5.440 -9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.463 -5.166 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.371 -6.699 -9.250 1.00 0.00 H new