USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=17 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 167:sc= -1.12 USER MOD Set 1.2: A 164 CYS SG : rot 180:sc= -2.23! USER MOD Set 1.3: A 166 SER OG : rot 160:sc= 0 USER MOD Set 1.4: A 169 HIS : no HE2:sc= -2.34! K(o=-5.6!,f=-6.4) USER MOD Set 1.5: A 174 CYS SG : rot 78:sc= 0.123 USER MOD Set 2.1: A 140 TYR OH : rot -101:sc= 1.33 USER MOD Set 2.2: A 162 HIS :FLIP no HE2:sc= -1.76 F(o=-8.6!,f=-0.44) USER MOD Set 3.1: A 148 HIS : no HD1:sc= -1.89 K(o=-2.8,f=-5.4) USER MOD Set 3.2: A 150 LYS NZ :NH3+ -168:sc= -0.897 (180deg=-0.658) USER MOD Set 4.1: A 139 CYS SG : rot 162:sc= -2.6 USER MOD Set 4.2: A 142 CYS SG : rot -48:sc= -1.42 USER MOD Set 4.3: A 147 HIS : no HE2:sc= -2.69! K(o=-5.6!,f=-11) USER MOD Set 4.4: A 152 CYS SG : rot 82:sc= 1.07 USER MOD Single : A 141 ASN : amide:sc= -0.254 K(o=-0.25,f=-2!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -0.353 K(o=-0.35,f=-0.91) USER MOD Single : A 159 LYS NZ :NH3+ 160:sc= -0.0813 (180deg=-0.454) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -160:sc= -0.275 (180deg=-1.12) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.000466) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -17.471 9.757 0.524 1.00 0.00 N ATOM 67 CA ASP A 137 -16.167 9.119 0.387 1.00 0.00 C ATOM 68 C ASP A 137 -15.051 10.064 0.822 1.00 0.00 C ATOM 69 O ASP A 137 -14.585 10.891 0.039 1.00 0.00 O ATOM 70 CB ASP A 137 -15.942 8.676 -1.059 1.00 0.00 C ATOM 71 CG ASP A 137 -17.170 8.022 -1.663 1.00 0.00 C ATOM 72 OD1 ASP A 137 -17.915 7.354 -0.915 1.00 0.00 O ATOM 73 OD2 ASP A 137 -17.386 8.179 -2.882 1.00 0.00 O ATOM 0 HA ASP A 137 -16.149 8.242 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -15.661 9.540 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -15.107 7.977 -1.096 1.00 0.00 H new ATOM 78 N ARG A 138 -14.629 9.935 2.076 1.00 0.00 N ATOM 79 CA ARG A 138 -13.570 10.778 2.616 1.00 0.00 C ATOM 80 C ARG A 138 -12.237 10.035 2.632 1.00 0.00 C ATOM 81 O ARG A 138 -12.194 8.821 2.833 1.00 0.00 O ATOM 82 CB ARG A 138 -13.926 11.238 4.030 1.00 0.00 C ATOM 83 CG ARG A 138 -12.718 11.415 4.936 1.00 0.00 C ATOM 84 CD ARG A 138 -13.135 11.698 6.371 1.00 0.00 C ATOM 85 NE ARG A 138 -13.287 10.471 7.148 1.00 0.00 N ATOM 86 CZ ARG A 138 -12.286 9.878 7.788 1.00 0.00 C ATOM 87 NH1 ARG A 138 -11.066 10.396 7.744 1.00 0.00 N ATOM 88 NH2 ARG A 138 -12.503 8.764 8.475 1.00 0.00 N ATOM 0 H ARG A 138 -15.005 9.255 2.737 1.00 0.00 H new ATOM 0 HA ARG A 138 -13.472 11.651 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -14.466 12.183 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.603 10.512 4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -12.104 10.515 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -12.102 12.235 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -12.391 12.338 6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -14.076 12.248 6.373 1.00 0.00 H new ATOM 0 HE ARG A 138 -14.213 10.046 7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -10.894 11.253 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.299 9.938 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -13.440 8.362 8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -11.733 8.310 8.966 1.00 0.00 H new ATOM 102 N CYS A 139 -11.152 10.771 2.417 1.00 0.00 N ATOM 103 CA CYS A 139 -9.818 10.183 2.406 1.00 0.00 C ATOM 104 C CYS A 139 -9.606 9.292 3.626 1.00 0.00 C ATOM 105 O CYS A 139 -9.701 9.749 4.766 1.00 0.00 O ATOM 106 CB CYS A 139 -8.754 11.282 2.371 1.00 0.00 C ATOM 107 SG CYS A 139 -7.059 10.684 2.670 1.00 0.00 S ATOM 0 H CYS A 139 -11.171 11.777 2.248 1.00 0.00 H new ATOM 0 HA CYS A 139 -9.726 9.569 1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.788 11.775 1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.000 12.035 3.120 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.206 11.576 2.261 1.00 0.00 H new ATOM 112 N TYR A 140 -9.318 8.019 3.379 1.00 0.00 N ATOM 113 CA TYR A 140 -9.095 7.063 4.457 1.00 0.00 C ATOM 114 C TYR A 140 -7.654 7.129 4.953 1.00 0.00 C ATOM 115 O TYR A 140 -7.055 6.109 5.293 1.00 0.00 O ATOM 116 CB TYR A 140 -9.419 5.645 3.985 1.00 0.00 C ATOM 117 CG TYR A 140 -8.730 5.264 2.694 1.00 0.00 C ATOM 118 CD1 TYR A 140 -9.318 5.532 1.464 1.00 0.00 C ATOM 119 CD2 TYR A 140 -7.490 4.636 2.706 1.00 0.00 C ATOM 120 CE1 TYR A 140 -8.691 5.184 0.283 1.00 0.00 C ATOM 121 CE2 TYR A 140 -6.856 4.287 1.529 1.00 0.00 C ATOM 122 CZ TYR A 140 -7.461 4.562 0.320 1.00 0.00 C ATOM 123 OH TYR A 140 -6.833 4.216 -0.854 1.00 0.00 O ATOM 0 H TYR A 140 -9.234 7.625 2.442 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.757 7.324 5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -9.132 4.938 4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.497 5.553 3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -10.281 6.020 1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -7.014 4.417 3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -9.162 5.398 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -5.892 3.801 1.555 1.00 0.00 H new ATOM 0 HH TYR A 140 -6.958 3.259 -1.022 1.00 0.00 H new ATOM 133 N ASN A 141 -7.102 8.337 4.992 1.00 0.00 N ATOM 134 CA ASN A 141 -5.731 8.538 5.447 1.00 0.00 C ATOM 135 C ASN A 141 -5.653 9.684 6.451 1.00 0.00 C ATOM 136 O ASN A 141 -5.159 9.513 7.566 1.00 0.00 O ATOM 137 CB ASN A 141 -4.814 8.826 4.256 1.00 0.00 C ATOM 138 CG ASN A 141 -3.349 8.636 4.596 1.00 0.00 C ATOM 139 OD1 ASN A 141 -2.928 8.870 5.729 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.564 8.211 3.613 1.00 0.00 N ATOM 0 H ASN A 141 -7.583 9.192 4.714 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.400 7.624 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.080 8.169 3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -4.976 9.849 3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.569 8.066 3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.956 8.030 2.689 1.00 0.00 H new ATOM 147 N CYS A 142 -6.144 10.851 6.049 1.00 0.00 N ATOM 148 CA CYS A 142 -6.131 12.025 6.912 1.00 0.00 C ATOM 149 C CYS A 142 -7.548 12.540 7.152 1.00 0.00 C ATOM 150 O CYS A 142 -7.922 12.854 8.281 1.00 0.00 O ATOM 151 CB CYS A 142 -5.274 13.130 6.292 1.00 0.00 C ATOM 152 SG CYS A 142 -5.984 13.865 4.784 1.00 0.00 S ATOM 0 H CYS A 142 -6.556 11.009 5.130 1.00 0.00 H new ATOM 0 HA CYS A 142 -5.701 11.735 7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -5.125 13.917 7.031 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.291 12.723 6.057 1.00 0.00 H new ATOM 0 HG CYS A 142 -6.364 12.919 3.977 1.00 0.00 H new ATOM 157 N GLY A 143 -8.331 12.622 6.081 1.00 0.00 N ATOM 158 CA GLY A 143 -9.697 13.099 6.196 1.00 0.00 C ATOM 159 C GLY A 143 -9.919 14.406 5.462 1.00 0.00 C ATOM 160 O GLY A 143 -10.565 15.315 5.981 1.00 0.00 O ATOM 0 H GLY A 143 -8.044 12.367 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.377 12.344 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -9.945 13.231 7.249 1.00 0.00 H new ATOM 164 N GLY A 144 -9.379 14.502 4.251 1.00 0.00 N ATOM 165 CA GLY A 144 -9.531 15.713 3.465 1.00 0.00 C ATOM 166 C GLY A 144 -10.723 15.652 2.531 1.00 0.00 C ATOM 167 O GLY A 144 -11.041 14.594 1.986 1.00 0.00 O ATOM 0 H GLY A 144 -8.839 13.763 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -9.641 16.566 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -8.625 15.881 2.882 1.00 0.00 H new ATOM 171 N LEU A 145 -11.386 16.788 2.346 1.00 0.00 N ATOM 172 CA LEU A 145 -12.552 16.860 1.472 1.00 0.00 C ATOM 173 C LEU A 145 -12.151 17.283 0.063 1.00 0.00 C ATOM 174 O LEU A 145 -12.671 16.762 -0.924 1.00 0.00 O ATOM 175 CB LEU A 145 -13.579 17.843 2.039 1.00 0.00 C ATOM 176 CG LEU A 145 -14.205 17.460 3.380 1.00 0.00 C ATOM 177 CD1 LEU A 145 -15.034 18.611 3.930 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.058 16.209 3.233 1.00 0.00 C ATOM 0 H LEU A 145 -11.136 17.672 2.789 1.00 0.00 H new ATOM 0 HA LEU A 145 -12.998 15.867 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -13.099 18.815 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -14.379 17.963 1.308 1.00 0.00 H new ATOM 0 HG LEU A 145 -13.402 17.247 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -15.472 18.320 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -14.396 19.483 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -15.829 18.856 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -15.495 15.951 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -15.854 16.394 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.437 15.384 2.884 1.00 0.00 H new ATOM 190 N ASP A 146 -11.222 18.229 -0.024 1.00 0.00 N ATOM 191 CA ASP A 146 -10.748 18.719 -1.313 1.00 0.00 C ATOM 192 C ASP A 146 -10.018 17.619 -2.078 1.00 0.00 C ATOM 193 O ASP A 146 -10.321 17.352 -3.241 1.00 0.00 O ATOM 194 CB ASP A 146 -9.822 19.921 -1.116 1.00 0.00 C ATOM 195 CG ASP A 146 -8.540 19.552 -0.396 1.00 0.00 C ATOM 196 OD1 ASP A 146 -8.610 19.212 0.803 1.00 0.00 O ATOM 197 OD2 ASP A 146 -7.466 19.604 -1.032 1.00 0.00 O ATOM 0 H ASP A 146 -10.782 18.672 0.783 1.00 0.00 H new ATOM 0 HA ASP A 146 -11.615 19.029 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -9.579 20.352 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -10.346 20.690 -0.548 1.00 0.00 H new ATOM 202 N HIS A 147 -9.054 16.985 -1.417 1.00 0.00 N ATOM 203 CA HIS A 147 -8.281 15.914 -2.036 1.00 0.00 C ATOM 204 C HIS A 147 -8.852 14.549 -1.666 1.00 0.00 C ATOM 205 O HIS A 147 -9.567 14.411 -0.673 1.00 0.00 O ATOM 206 CB HIS A 147 -6.816 16.001 -1.605 1.00 0.00 C ATOM 207 CG HIS A 147 -6.575 15.534 -0.203 1.00 0.00 C ATOM 208 ND1 HIS A 147 -6.772 16.336 0.902 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.153 14.339 0.272 1.00 0.00 C ATOM 210 CE1 HIS A 147 -6.479 15.655 1.995 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.101 14.440 1.641 1.00 0.00 N ATOM 0 H HIS A 147 -8.790 17.194 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.342 16.032 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.209 15.405 -2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -6.479 17.033 -1.698 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.094 17.304 0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -5.904 13.468 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -6.538 16.028 3.007 1.00 0.00 H new ATOM 219 N HIS A 148 -8.532 13.541 -2.472 1.00 0.00 N ATOM 220 CA HIS A 148 -9.013 12.186 -2.230 1.00 0.00 C ATOM 221 C HIS A 148 -7.933 11.336 -1.567 1.00 0.00 C ATOM 222 O HIS A 148 -6.808 11.791 -1.366 1.00 0.00 O ATOM 223 CB HIS A 148 -9.456 11.537 -3.542 1.00 0.00 C ATOM 224 CG HIS A 148 -10.635 12.209 -4.174 1.00 0.00 C ATOM 225 ND1 HIS A 148 -10.927 13.545 -3.992 1.00 0.00 N ATOM 226 CD2 HIS A 148 -11.597 11.724 -4.993 1.00 0.00 C ATOM 227 CE1 HIS A 148 -12.019 13.851 -4.670 1.00 0.00 C ATOM 228 NE2 HIS A 148 -12.445 12.763 -5.287 1.00 0.00 N ATOM 0 H HIS A 148 -7.942 13.638 -3.298 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.868 12.246 -1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -8.622 11.549 -4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -9.701 10.491 -3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -11.682 10.708 -5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -12.484 14.825 -4.713 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -13.270 12.705 -5.884 1.00 0.00 H new ATOM 236 N ALA A 149 -8.284 10.099 -1.230 1.00 0.00 N ATOM 237 CA ALA A 149 -7.345 9.185 -0.592 1.00 0.00 C ATOM 238 C ALA A 149 -6.189 8.845 -1.526 1.00 0.00 C ATOM 239 O ALA A 149 -5.022 8.921 -1.141 1.00 0.00 O ATOM 240 CB ALA A 149 -8.060 7.918 -0.149 1.00 0.00 C ATOM 0 H ALA A 149 -9.212 9.707 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.933 9.681 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -7.346 7.245 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -8.846 8.173 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -8.501 7.427 -1.016 1.00 0.00 H new ATOM 246 N LYS A 150 -6.521 8.468 -2.756 1.00 0.00 N ATOM 247 CA LYS A 150 -5.511 8.115 -3.748 1.00 0.00 C ATOM 248 C LYS A 150 -4.673 9.332 -4.127 1.00 0.00 C ATOM 249 O LYS A 150 -3.476 9.215 -4.387 1.00 0.00 O ATOM 250 CB LYS A 150 -6.175 7.530 -4.996 1.00 0.00 C ATOM 251 CG LYS A 150 -7.036 8.528 -5.752 1.00 0.00 C ATOM 252 CD LYS A 150 -8.404 8.683 -5.109 1.00 0.00 C ATOM 253 CE LYS A 150 -9.467 9.033 -6.140 1.00 0.00 C ATOM 254 NZ LYS A 150 -9.233 10.373 -6.745 1.00 0.00 N ATOM 0 H LYS A 150 -7.482 8.399 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.853 7.365 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.402 7.150 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -6.791 6.679 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.534 9.495 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -7.153 8.200 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -8.677 7.757 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -8.363 9.462 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -9.475 8.277 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -10.450 9.014 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -10.074 10.662 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -9.048 11.066 -5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -8.413 10.328 -7.382 1.00 0.00 H new ATOM 268 N GLU A 151 -5.311 10.498 -4.156 1.00 0.00 N ATOM 269 CA GLU A 151 -4.622 11.736 -4.503 1.00 0.00 C ATOM 270 C GLU A 151 -3.742 12.211 -3.351 1.00 0.00 C ATOM 271 O GLU A 151 -2.638 12.712 -3.564 1.00 0.00 O ATOM 272 CB GLU A 151 -5.635 12.824 -4.868 1.00 0.00 C ATOM 273 CG GLU A 151 -6.537 12.450 -6.032 1.00 0.00 C ATOM 274 CD GLU A 151 -7.632 13.471 -6.272 1.00 0.00 C ATOM 275 OE1 GLU A 151 -8.572 13.536 -5.453 1.00 0.00 O ATOM 276 OE2 GLU A 151 -7.550 14.204 -7.280 1.00 0.00 O ATOM 0 H GLU A 151 -6.302 10.611 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 151 -3.985 11.538 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -6.252 13.041 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -5.098 13.740 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -5.935 12.349 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -6.989 11.477 -5.839 1.00 0.00 H new ATOM 283 N CYS A 152 -4.239 12.050 -2.129 1.00 0.00 N ATOM 284 CA CYS A 152 -3.501 12.463 -0.942 1.00 0.00 C ATOM 285 C CYS A 152 -2.001 12.252 -1.134 1.00 0.00 C ATOM 286 O CYS A 152 -1.577 11.373 -1.884 1.00 0.00 O ATOM 287 CB CYS A 152 -3.984 11.682 0.282 1.00 0.00 C ATOM 288 SG CYS A 152 -3.590 12.476 1.873 1.00 0.00 S ATOM 0 H CYS A 152 -5.151 11.636 -1.935 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.684 13.526 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -5.064 11.549 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.538 10.687 0.264 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.479 13.387 2.135 1.00 0.00 H new ATOM 293 N LYS A 153 -1.203 13.065 -0.450 1.00 0.00 N ATOM 294 CA LYS A 153 0.249 12.968 -0.542 1.00 0.00 C ATOM 295 C LYS A 153 0.820 12.205 0.649 1.00 0.00 C ATOM 296 O LYS A 153 1.712 11.370 0.494 1.00 0.00 O ATOM 297 CB LYS A 153 0.870 14.365 -0.612 1.00 0.00 C ATOM 298 CG LYS A 153 0.328 15.215 -1.748 1.00 0.00 C ATOM 299 CD LYS A 153 -0.854 16.058 -1.298 1.00 0.00 C ATOM 300 CE LYS A 153 -0.398 17.337 -0.614 1.00 0.00 C ATOM 301 NZ LYS A 153 -1.432 18.407 -0.692 1.00 0.00 N ATOM 0 H LYS A 153 -1.538 13.799 0.174 1.00 0.00 H new ATOM 0 HA LYS A 153 0.495 12.421 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.693 14.880 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.950 14.268 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 153 1.117 15.865 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.024 14.571 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.474 16.306 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.475 15.480 -0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -0.169 17.128 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 153 0.524 17.688 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.083 19.262 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -1.632 18.624 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.304 18.082 -0.227 1.00 0.00 H new ATOM 315 N LEU A 154 0.300 12.496 1.836 1.00 0.00 N ATOM 316 CA LEU A 154 0.758 11.836 3.054 1.00 0.00 C ATOM 317 C LEU A 154 1.020 10.354 2.805 1.00 0.00 C ATOM 318 O LEU A 154 0.482 9.751 1.876 1.00 0.00 O ATOM 319 CB LEU A 154 -0.277 12.003 4.168 1.00 0.00 C ATOM 320 CG LEU A 154 -0.308 13.367 4.857 1.00 0.00 C ATOM 321 CD1 LEU A 154 -1.422 13.418 5.891 1.00 0.00 C ATOM 322 CD2 LEU A 154 1.036 13.669 5.503 1.00 0.00 C ATOM 0 H LEU A 154 -0.439 13.184 1.981 1.00 0.00 H new ATOM 0 HA LEU A 154 1.693 12.304 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.265 11.807 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.093 11.240 4.925 1.00 0.00 H new ATOM 0 HG LEU A 154 -0.505 14.129 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -1.428 14.397 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -2.381 13.248 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -1.256 12.646 6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.995 14.644 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.263 12.903 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.813 13.676 4.739 1.00 0.00 H new ATOM 334 N PRO A 155 1.864 9.751 3.655 1.00 0.00 N ATOM 335 CA PRO A 155 2.213 8.331 3.549 1.00 0.00 C ATOM 336 C PRO A 155 1.046 7.418 3.907 1.00 0.00 C ATOM 337 O PRO A 155 0.372 7.600 4.921 1.00 0.00 O ATOM 338 CB PRO A 155 3.349 8.169 4.563 1.00 0.00 C ATOM 339 CG PRO A 155 3.128 9.258 5.556 1.00 0.00 C ATOM 340 CD PRO A 155 2.541 10.408 4.786 1.00 0.00 C ATOM 0 HA PRO A 155 2.488 8.054 2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.319 7.188 5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.324 8.262 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 155 2.453 8.933 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 155 4.064 9.546 6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.842 10.983 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 155 3.312 11.099 4.446 1.00 0.00 H new ATOM 348 N PRO A 156 0.799 6.412 3.055 1.00 0.00 N ATOM 349 CA PRO A 156 -0.288 5.449 3.261 1.00 0.00 C ATOM 350 C PRO A 156 -0.022 4.518 4.439 1.00 0.00 C ATOM 351 O PRO A 156 1.117 4.121 4.682 1.00 0.00 O ATOM 352 CB PRO A 156 -0.315 4.659 1.951 1.00 0.00 C ATOM 353 CG PRO A 156 1.067 4.778 1.408 1.00 0.00 C ATOM 354 CD PRO A 156 1.561 6.135 1.826 1.00 0.00 C ATOM 0 HA PRO A 156 -1.231 5.943 3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.584 3.617 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -1.049 5.068 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 156 1.710 3.991 1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.070 4.679 0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.635 6.132 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.372 6.885 1.058 1.00 0.00 H new ATOM 362 N GLN A 157 -1.080 4.174 5.166 1.00 0.00 N ATOM 363 CA GLN A 157 -0.959 3.289 6.319 1.00 0.00 C ATOM 364 C GLN A 157 -0.132 2.055 5.973 1.00 0.00 C ATOM 365 O GLN A 157 -0.058 1.630 4.820 1.00 0.00 O ATOM 366 CB GLN A 157 -2.345 2.867 6.812 1.00 0.00 C ATOM 367 CG GLN A 157 -3.203 4.031 7.283 1.00 0.00 C ATOM 368 CD GLN A 157 -2.428 5.023 8.127 1.00 0.00 C ATOM 369 OE1 GLN A 157 -1.731 4.644 9.069 1.00 0.00 O ATOM 370 NE2 GLN A 157 -2.545 6.303 7.794 1.00 0.00 N ATOM 0 H GLN A 157 -2.030 4.494 4.977 1.00 0.00 H new ATOM 0 HA GLN A 157 -0.449 3.835 7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.864 2.345 6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -2.230 2.157 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.619 4.544 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -4.044 3.647 7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -3.133 6.573 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -2.046 7.016 8.326 1.00 0.00 H new ATOM 379 N PRO A 158 0.505 1.464 6.995 1.00 0.00 N ATOM 380 CA PRO A 158 1.338 0.270 6.824 1.00 0.00 C ATOM 381 C PRO A 158 0.514 -0.969 6.494 1.00 0.00 C ATOM 382 O PRO A 158 1.018 -2.092 6.533 1.00 0.00 O ATOM 383 CB PRO A 158 2.017 0.114 8.187 1.00 0.00 C ATOM 384 CG PRO A 158 1.094 0.779 9.149 1.00 0.00 C ATOM 385 CD PRO A 158 0.461 1.916 8.396 1.00 0.00 C ATOM 0 HA PRO A 158 2.037 0.375 5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.162 -0.937 8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.001 0.582 8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.338 0.082 9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 158 1.636 1.143 10.022 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.561 2.098 8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.012 2.846 8.536 1.00 0.00 H new ATOM 393 N LYS A 159 -0.756 -0.759 6.167 1.00 0.00 N ATOM 394 CA LYS A 159 -1.651 -1.859 5.827 1.00 0.00 C ATOM 395 C LYS A 159 -1.258 -2.489 4.495 1.00 0.00 C ATOM 396 O LYS A 159 -0.295 -2.065 3.856 1.00 0.00 O ATOM 397 CB LYS A 159 -3.098 -1.365 5.763 1.00 0.00 C ATOM 398 CG LYS A 159 -3.634 -0.878 7.098 1.00 0.00 C ATOM 399 CD LYS A 159 -5.103 -0.499 7.005 1.00 0.00 C ATOM 400 CE LYS A 159 -5.992 -1.730 6.911 1.00 0.00 C ATOM 401 NZ LYS A 159 -5.923 -2.559 8.146 1.00 0.00 N ATOM 0 H LYS A 159 -1.189 0.164 6.130 1.00 0.00 H new ATOM 0 HA LYS A 159 -1.566 -2.617 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.165 -0.555 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -3.733 -2.173 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.505 -1.658 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.055 -0.016 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.384 0.088 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.262 0.133 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -7.023 -1.421 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -5.691 -2.331 6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -6.759 -3.176 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -5.063 -3.143 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -5.899 -1.938 8.980 1.00 0.00 H new ATOM 415 N LYS A 160 -2.012 -3.502 4.079 1.00 0.00 N ATOM 416 CA LYS A 160 -1.744 -4.188 2.821 1.00 0.00 C ATOM 417 C LYS A 160 -2.665 -3.679 1.717 1.00 0.00 C ATOM 418 O LYS A 160 -3.775 -3.218 1.984 1.00 0.00 O ATOM 419 CB LYS A 160 -1.924 -5.699 2.992 1.00 0.00 C ATOM 420 CG LYS A 160 -3.375 -6.129 3.118 1.00 0.00 C ATOM 421 CD LYS A 160 -3.513 -7.641 3.080 1.00 0.00 C ATOM 422 CE LYS A 160 -3.345 -8.251 4.463 1.00 0.00 C ATOM 423 NZ LYS A 160 -4.635 -8.310 5.205 1.00 0.00 N ATOM 0 H LYS A 160 -2.813 -3.865 4.595 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.713 -3.980 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -1.476 -6.208 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -1.380 -6.023 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -3.789 -5.748 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -3.958 -5.689 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -4.491 -7.908 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.767 -8.059 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -2.934 -9.256 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.625 -7.664 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -4.477 -8.732 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -5.015 -7.348 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -5.315 -8.891 4.674 1.00 0.00 H new ATOM 437 N CYS A 161 -2.198 -3.766 0.476 1.00 0.00 N ATOM 438 CA CYS A 161 -2.980 -3.315 -0.669 1.00 0.00 C ATOM 439 C CYS A 161 -4.470 -3.548 -0.437 1.00 0.00 C ATOM 440 O CYS A 161 -4.908 -4.680 -0.234 1.00 0.00 O ATOM 441 CB CYS A 161 -2.531 -4.043 -1.938 1.00 0.00 C ATOM 442 SG CYS A 161 -3.580 -3.720 -3.391 1.00 0.00 S ATOM 0 H CYS A 161 -1.281 -4.145 0.238 1.00 0.00 H new ATOM 0 HA CYS A 161 -2.813 -2.245 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -1.507 -3.749 -2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -2.518 -5.115 -1.744 1.00 0.00 H new ATOM 0 HG CYS A 161 -2.977 -4.139 -4.464 1.00 0.00 H new ATOM 447 N HIS A 162 -5.244 -2.467 -0.467 1.00 0.00 N ATOM 448 CA HIS A 162 -6.685 -2.553 -0.261 1.00 0.00 C ATOM 449 C HIS A 162 -7.400 -2.905 -1.562 1.00 0.00 C ATOM 450 O HIS A 162 -8.561 -2.547 -1.760 1.00 0.00 O ATOM 451 CB HIS A 162 -7.222 -1.231 0.289 1.00 0.00 C ATOM 452 CG HIS A 162 -7.258 -0.131 -0.726 1.00 0.00 C ATOM 453 ND1 HIS A 162 -8.155 0.144 -1.702 1.00 0.00 N flip ATOM 454 CD2 HIS A 162 -6.287 0.844 -0.814 1.00 0.00 C flip ATOM 455 CE1 HIS A 162 -7.715 1.270 -2.354 1.00 0.00 C flip ATOM 456 NE2 HIS A 162 -6.586 1.673 -1.798 1.00 0.00 N flip ATOM 0 H HIS A 162 -4.897 -1.522 -0.632 1.00 0.00 H new ATOM 0 HA HIS A 162 -6.877 -3.344 0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -8.228 -1.390 0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -6.603 -0.918 1.130 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -9.000 -0.386 -1.914 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -5.418 0.918 -0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -8.211 1.748 -3.186 1.00 0.00 H new ATOM 464 N PHE A 163 -6.699 -3.607 -2.446 1.00 0.00 N ATOM 465 CA PHE A 163 -7.266 -4.005 -3.728 1.00 0.00 C ATOM 466 C PHE A 163 -7.269 -5.524 -3.874 1.00 0.00 C ATOM 467 O PHE A 163 -8.290 -6.126 -4.209 1.00 0.00 O ATOM 468 CB PHE A 163 -6.478 -3.373 -4.877 1.00 0.00 C ATOM 469 CG PHE A 163 -7.238 -3.328 -6.172 1.00 0.00 C ATOM 470 CD1 PHE A 163 -7.514 -4.493 -6.870 1.00 0.00 C ATOM 471 CD2 PHE A 163 -7.676 -2.121 -6.692 1.00 0.00 C ATOM 472 CE1 PHE A 163 -8.212 -4.454 -8.062 1.00 0.00 C ATOM 473 CE2 PHE A 163 -8.375 -2.076 -7.883 1.00 0.00 C ATOM 474 CZ PHE A 163 -8.644 -3.244 -8.569 1.00 0.00 C ATOM 0 H PHE A 163 -5.737 -3.912 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 163 -8.297 -3.652 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -6.193 -2.359 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -5.555 -3.934 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -7.180 -5.442 -6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -7.469 -1.204 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -8.420 -5.369 -8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -8.711 -1.128 -8.277 1.00 0.00 H new ATOM 0 HZ PHE A 163 -9.191 -3.211 -9.500 1.00 0.00 H new ATOM 484 N CYS A 164 -6.118 -6.139 -3.619 1.00 0.00 N ATOM 485 CA CYS A 164 -5.985 -7.587 -3.722 1.00 0.00 C ATOM 486 C CYS A 164 -5.259 -8.154 -2.506 1.00 0.00 C ATOM 487 O CYS A 164 -4.657 -9.225 -2.575 1.00 0.00 O ATOM 488 CB CYS A 164 -5.232 -7.961 -5.000 1.00 0.00 C ATOM 489 SG CYS A 164 -3.509 -7.371 -5.048 1.00 0.00 S ATOM 0 H CYS A 164 -5.264 -5.656 -3.339 1.00 0.00 H new ATOM 0 HA CYS A 164 -6.986 -8.017 -3.759 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -5.236 -9.046 -5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -5.768 -7.554 -5.857 1.00 0.00 H new ATOM 0 HG CYS A 164 -2.956 -7.738 -6.166 1.00 0.00 H new ATOM 494 N GLN A 165 -5.321 -7.428 -1.395 1.00 0.00 N ATOM 495 CA GLN A 165 -4.669 -7.858 -0.163 1.00 0.00 C ATOM 496 C GLN A 165 -3.276 -8.410 -0.449 1.00 0.00 C ATOM 497 O GLN A 165 -2.862 -9.411 0.135 1.00 0.00 O ATOM 498 CB GLN A 165 -5.515 -8.919 0.543 1.00 0.00 C ATOM 499 CG GLN A 165 -6.812 -8.376 1.122 1.00 0.00 C ATOM 500 CD GLN A 165 -7.777 -7.904 0.053 1.00 0.00 C ATOM 501 OE1 GLN A 165 -8.078 -6.714 -0.046 1.00 0.00 O ATOM 502 NE2 GLN A 165 -8.267 -8.836 -0.756 1.00 0.00 N ATOM 0 H GLN A 165 -5.816 -6.539 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.570 -6.990 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -5.748 -9.716 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.928 -9.366 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -7.290 -9.151 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -6.587 -7.548 1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -7.990 -9.811 -0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -8.920 -8.577 -1.495 1.00 0.00 H new ATOM 511 N SER A 166 -2.558 -7.750 -1.353 1.00 0.00 N ATOM 512 CA SER A 166 -1.213 -8.177 -1.719 1.00 0.00 C ATOM 513 C SER A 166 -0.168 -7.492 -0.845 1.00 0.00 C ATOM 514 O SER A 166 0.439 -6.498 -1.247 1.00 0.00 O ATOM 515 CB SER A 166 -0.941 -7.870 -3.193 1.00 0.00 C ATOM 516 OG SER A 166 0.421 -8.088 -3.517 1.00 0.00 O ATOM 0 H SER A 166 -2.885 -6.918 -1.845 1.00 0.00 H new ATOM 0 HA SER A 166 -1.145 -9.253 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 166 -1.572 -8.499 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 166 -1.208 -6.835 -3.407 1.00 0.00 H new ATOM 0 HG SER A 166 0.513 -8.201 -4.486 1.00 0.00 H new ATOM 522 N ILE A 167 0.037 -8.029 0.353 1.00 0.00 N ATOM 523 CA ILE A 167 1.009 -7.470 1.285 1.00 0.00 C ATOM 524 C ILE A 167 2.332 -7.176 0.588 1.00 0.00 C ATOM 525 O ILE A 167 3.139 -6.383 1.074 1.00 0.00 O ATOM 526 CB ILE A 167 1.265 -8.422 2.469 1.00 0.00 C ATOM 527 CG1 ILE A 167 1.802 -9.763 1.965 1.00 0.00 C ATOM 528 CG2 ILE A 167 -0.010 -8.623 3.273 1.00 0.00 C ATOM 529 CD1 ILE A 167 2.372 -10.635 3.062 1.00 0.00 C ATOM 0 H ILE A 167 -0.457 -8.851 0.701 1.00 0.00 H new ATOM 0 HA ILE A 167 0.586 -6.539 1.663 1.00 0.00 H new ATOM 0 HB ILE A 167 2.014 -7.974 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 167 0.998 -10.302 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 167 2.575 -9.579 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 167 0.188 -9.298 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -0.353 -7.663 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -0.780 -9.053 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 167 2.734 -11.569 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 167 3.197 -10.115 3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 167 1.596 -10.850 3.796 1.00 0.00 H new ATOM 541 N SER A 168 2.548 -7.818 -0.556 1.00 0.00 N ATOM 542 CA SER A 168 3.775 -7.627 -1.320 1.00 0.00 C ATOM 543 C SER A 168 3.857 -6.206 -1.869 1.00 0.00 C ATOM 544 O SER A 168 4.682 -5.404 -1.429 1.00 0.00 O ATOM 545 CB SER A 168 3.848 -8.635 -2.469 1.00 0.00 C ATOM 546 OG SER A 168 5.044 -8.476 -3.211 1.00 0.00 O ATOM 0 H SER A 168 1.889 -8.475 -0.974 1.00 0.00 H new ATOM 0 HA SER A 168 4.620 -7.789 -0.650 1.00 0.00 H new ATOM 0 HB2 SER A 168 3.795 -9.649 -2.072 1.00 0.00 H new ATOM 0 HB3 SER A 168 2.988 -8.505 -3.126 1.00 0.00 H new ATOM 0 HG SER A 168 5.068 -9.133 -3.938 1.00 0.00 H new ATOM 552 N HIS A 169 2.995 -5.900 -2.834 1.00 0.00 N ATOM 553 CA HIS A 169 2.968 -4.576 -3.444 1.00 0.00 C ATOM 554 C HIS A 169 1.905 -3.698 -2.791 1.00 0.00 C ATOM 555 O HIS A 169 1.140 -4.159 -1.944 1.00 0.00 O ATOM 556 CB HIS A 169 2.702 -4.688 -4.945 1.00 0.00 C ATOM 557 CG HIS A 169 1.294 -5.079 -5.276 1.00 0.00 C ATOM 558 ND1 HIS A 169 0.981 -6.170 -6.059 1.00 0.00 N ATOM 559 CD2 HIS A 169 0.114 -4.519 -4.924 1.00 0.00 C ATOM 560 CE1 HIS A 169 -0.332 -6.263 -6.175 1.00 0.00 C ATOM 561 NE2 HIS A 169 -0.881 -5.273 -5.495 1.00 0.00 N ATOM 0 H HIS A 169 2.306 -6.551 -3.210 1.00 0.00 H new ATOM 0 HA HIS A 169 3.942 -4.112 -3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 169 2.926 -3.732 -5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 169 3.385 -5.422 -5.373 1.00 0.00 H new ATOM 0 HD1 HIS A 169 1.657 -6.806 -6.482 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -0.020 -3.642 -4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -0.865 -7.020 -6.731 1.00 0.00 H new ATOM 569 N MET A 170 1.864 -2.431 -3.189 1.00 0.00 N ATOM 570 CA MET A 170 0.894 -1.489 -2.642 1.00 0.00 C ATOM 571 C MET A 170 -0.130 -1.088 -3.699 1.00 0.00 C ATOM 572 O MET A 170 0.165 -1.088 -4.895 1.00 0.00 O ATOM 573 CB MET A 170 1.606 -0.245 -2.106 1.00 0.00 C ATOM 574 CG MET A 170 2.462 -0.515 -0.880 1.00 0.00 C ATOM 575 SD MET A 170 1.487 -1.028 0.548 1.00 0.00 S ATOM 576 CE MET A 170 0.294 0.305 0.640 1.00 0.00 C ATOM 0 H MET A 170 2.491 -2.033 -3.888 1.00 0.00 H new ATOM 0 HA MET A 170 0.370 -1.980 -1.822 1.00 0.00 H new ATOM 0 HB2 MET A 170 2.235 0.171 -2.893 1.00 0.00 H new ATOM 0 HB3 MET A 170 0.861 0.512 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.192 -1.290 -1.114 1.00 0.00 H new ATOM 0 HG3 MET A 170 3.023 0.385 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 170 -0.140 0.337 1.639 1.00 0.00 H new ATOM 0 HE2 MET A 170 0.790 1.252 0.430 1.00 0.00 H new ATOM 0 HE3 MET A 170 -0.495 0.138 -0.093 1.00 0.00 H new ATOM 586 N VAL A 171 -1.333 -0.746 -3.251 1.00 0.00 N ATOM 587 CA VAL A 171 -2.401 -0.342 -4.159 1.00 0.00 C ATOM 588 C VAL A 171 -1.913 0.713 -5.145 1.00 0.00 C ATOM 589 O VAL A 171 -2.373 0.771 -6.285 1.00 0.00 O ATOM 590 CB VAL A 171 -3.613 0.214 -3.387 1.00 0.00 C ATOM 591 CG1 VAL A 171 -3.274 1.555 -2.754 1.00 0.00 C ATOM 592 CG2 VAL A 171 -4.817 0.339 -4.308 1.00 0.00 C ATOM 0 H VAL A 171 -1.593 -0.740 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 171 -2.706 -1.234 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 171 -3.865 -0.484 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.142 1.932 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -2.441 1.430 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -2.995 2.265 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -5.665 0.733 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -4.579 1.016 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -5.072 -0.642 -4.709 1.00 0.00 H new ATOM 602 N ALA A 172 -0.978 1.546 -4.699 1.00 0.00 N ATOM 603 CA ALA A 172 -0.425 2.597 -5.544 1.00 0.00 C ATOM 604 C ALA A 172 0.246 2.012 -6.781 1.00 0.00 C ATOM 605 O ALA A 172 0.231 2.618 -7.853 1.00 0.00 O ATOM 606 CB ALA A 172 0.563 3.443 -4.755 1.00 0.00 C ATOM 0 H ALA A 172 -0.588 1.513 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 172 -1.247 3.232 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 172 0.968 4.224 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 172 0.054 3.900 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.375 2.812 -4.394 1.00 0.00 H new ATOM 612 N SER A 173 0.835 0.830 -6.626 1.00 0.00 N ATOM 613 CA SER A 173 1.516 0.165 -7.731 1.00 0.00 C ATOM 614 C SER A 173 0.628 -0.914 -8.346 1.00 0.00 C ATOM 615 O SER A 173 0.759 -1.244 -9.525 1.00 0.00 O ATOM 616 CB SER A 173 2.830 -0.454 -7.249 1.00 0.00 C ATOM 617 OG SER A 173 3.708 0.540 -6.751 1.00 0.00 O ATOM 0 H SER A 173 0.854 0.314 -5.747 1.00 0.00 H new ATOM 0 HA SER A 173 1.733 0.912 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 173 2.626 -1.187 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 173 3.308 -0.987 -8.071 1.00 0.00 H new ATOM 0 HG SER A 173 4.540 0.120 -6.448 1.00 0.00 H new ATOM 623 N CYS A 174 -0.275 -1.459 -7.538 1.00 0.00 N ATOM 624 CA CYS A 174 -1.185 -2.500 -7.999 1.00 0.00 C ATOM 625 C CYS A 174 -1.608 -2.252 -9.445 1.00 0.00 C ATOM 626 O CYS A 174 -2.099 -1.180 -9.798 1.00 0.00 O ATOM 627 CB CYS A 174 -2.420 -2.564 -7.099 1.00 0.00 C ATOM 628 SG CYS A 174 -3.422 -4.069 -7.316 1.00 0.00 S ATOM 0 H CYS A 174 -0.396 -1.197 -6.560 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.659 -3.454 -7.951 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.102 -2.499 -6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -3.045 -1.693 -7.296 1.00 0.00 H new ATOM 0 HG CYS A 174 -2.852 -5.062 -6.702 1.00 0.00 H new ATOM 633 N PRO A 175 -1.413 -3.266 -10.301 1.00 0.00 N ATOM 634 CA PRO A 175 -1.768 -3.182 -11.720 1.00 0.00 C ATOM 635 C PRO A 175 -3.276 -3.157 -11.940 1.00 0.00 C ATOM 636 O PRO A 175 -3.796 -2.296 -12.652 1.00 0.00 O ATOM 637 CB PRO A 175 -1.163 -4.458 -12.313 1.00 0.00 C ATOM 638 CG PRO A 175 -1.092 -5.410 -11.169 1.00 0.00 C ATOM 639 CD PRO A 175 -0.832 -4.572 -9.948 1.00 0.00 C ATOM 0 HA PRO A 175 -1.399 -2.265 -12.179 1.00 0.00 H new ATOM 0 HB2 PRO A 175 -1.782 -4.853 -13.119 1.00 0.00 H new ATOM 0 HB3 PRO A 175 -0.175 -4.270 -12.733 1.00 0.00 H new ATOM 0 HG2 PRO A 175 -2.023 -5.969 -11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 175 -0.296 -6.140 -11.318 1.00 0.00 H new ATOM 0 HD2 PRO A 175 -1.304 -4.996 -9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 175 0.234 -4.493 -9.734 1.00 0.00 H new ATOM 647 N LEU A 176 -3.975 -4.105 -11.326 1.00 0.00 N ATOM 648 CA LEU A 176 -5.426 -4.191 -11.455 1.00 0.00 C ATOM 649 C LEU A 176 -6.064 -2.810 -11.352 1.00 0.00 C ATOM 650 O LEU A 176 -6.948 -2.462 -12.136 1.00 0.00 O ATOM 651 CB LEU A 176 -5.999 -5.112 -10.376 1.00 0.00 C ATOM 652 CG LEU A 176 -5.565 -6.576 -10.444 1.00 0.00 C ATOM 653 CD1 LEU A 176 -5.978 -7.315 -9.180 1.00 0.00 C ATOM 654 CD2 LEU A 176 -6.153 -7.251 -11.674 1.00 0.00 C ATOM 0 H LEU A 176 -3.561 -4.825 -10.734 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.656 -4.605 -12.437 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -5.717 -4.715 -9.401 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.087 -5.073 -10.434 1.00 0.00 H new ATOM 0 HG LEU A 176 -4.478 -6.609 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -5.661 -8.356 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -5.508 -6.847 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -7.062 -7.273 -9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.833 -8.293 -11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -7.241 -7.207 -11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -5.807 -6.738 -12.571 1.00 0.00 H new ATOM 666 N LYS A 177 -5.610 -2.024 -10.381 1.00 0.00 N ATOM 667 CA LYS A 177 -6.134 -0.679 -10.177 1.00 0.00 C ATOM 668 C LYS A 177 -6.105 0.119 -11.476 1.00 0.00 C ATOM 669 O LYS A 177 -7.092 0.752 -11.849 1.00 0.00 O ATOM 670 CB LYS A 177 -5.323 0.048 -9.101 1.00 0.00 C ATOM 671 CG LYS A 177 -5.981 1.322 -8.601 1.00 0.00 C ATOM 672 CD LYS A 177 -5.181 1.959 -7.477 1.00 0.00 C ATOM 673 CE LYS A 177 -5.406 3.462 -7.415 1.00 0.00 C ATOM 674 NZ LYS A 177 -5.112 4.012 -6.063 1.00 0.00 N ATOM 0 H LYS A 177 -4.880 -2.296 -9.723 1.00 0.00 H new ATOM 0 HA LYS A 177 -7.169 -0.765 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -5.167 -0.625 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -4.339 0.290 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -6.079 2.029 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -6.989 1.099 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -5.465 1.508 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -4.120 1.755 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -4.773 3.955 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -6.439 3.686 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -5.212 5.047 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -5.779 3.611 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -4.140 3.763 -5.791 1.00 0.00 H new ATOM 688 N ALA A 178 -4.967 0.084 -12.162 1.00 0.00 N ATOM 689 CA ALA A 178 -4.811 0.801 -13.421 1.00 0.00 C ATOM 690 C ALA A 178 -4.979 -0.137 -14.612 1.00 0.00 C ATOM 691 O ALA A 178 -4.028 -0.394 -15.349 1.00 0.00 O ATOM 692 CB ALA A 178 -3.454 1.486 -13.474 1.00 0.00 C ATOM 0 H ALA A 178 -4.139 -0.434 -11.866 1.00 0.00 H new ATOM 0 HA ALA A 178 -5.591 1.560 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 178 -3.351 2.018 -14.420 1.00 0.00 H new ATOM 0 HB2 ALA A 178 -3.371 2.194 -12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 178 -2.665 0.738 -13.391 1.00 0.00 H new