USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 471 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 215 MET CE :methyl 179:sc= -0.62 (180deg=-0.00601) USER MOD Set 1.2: A 219 GLN : amide:sc= -0.643 K(o=-1.3,f=-6) USER MOD Set 2.1: A 155 GLN : amide:sc= -3.3! C(o=-7.1!,f=-15!) USER MOD Set 2.2: A 198 CYS SG : rot 125:sc= -0.38 USER MOD Set 2.3: A 218 CYS SG : rot 171:sc= -3.42! USER MOD Single : A 149 SER OG : rot 157:sc= -0.237 USER MOD Single : A 164 TYR OH : rot -142:sc= -2.37! USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -177:sc= -1.69 (180deg=-1.74) USER MOD Single : A 171 THR OG1 : rot 82:sc= -1.33 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 193 ASN : amide:sc= -7.39! C(o=-7.4!,f=-9.1!) USER MOD Single : A 195 ASN : amide:sc= -3.53! C(o=-3.5!,f=-3.3!) USER MOD Single : A 199 LYS NZ :NH3+ 147:sc= -0.107 (180deg=-0.769) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 214 MET CE :methyl -141:sc= -6.61! (180deg=-10.2!) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.255 4.832 7.267 1.00 0.00 N ATOM 16 CA SER A 149 -11.974 5.282 7.784 1.00 0.00 C ATOM 17 C SER A 149 -10.838 4.721 6.927 1.00 0.00 C ATOM 18 O SER A 149 -11.074 3.926 6.019 1.00 0.00 O ATOM 19 CB SER A 149 -11.795 4.865 9.245 1.00 0.00 C ATOM 20 OG SER A 149 -10.715 5.555 9.868 1.00 0.00 O ATOM 0 HA SER A 149 -11.949 6.371 7.739 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.716 5.062 9.794 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.617 3.791 9.296 1.00 0.00 H new ATOM 0 HG SER A 149 -10.847 5.561 10.839 1.00 0.00 H new ATOM 26 N ILE A 150 -9.629 5.156 7.248 1.00 0.00 N ATOM 27 CA ILE A 150 -8.453 4.708 6.519 1.00 0.00 C ATOM 28 C ILE A 150 -8.133 3.265 6.916 1.00 0.00 C ATOM 29 O ILE A 150 -7.421 2.565 6.199 1.00 0.00 O ATOM 30 CB ILE A 150 -7.289 5.677 6.731 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.734 7.124 6.514 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.098 5.304 5.847 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.856 7.443 5.023 1.00 0.00 C ATOM 0 H ILE A 150 -9.437 5.814 8.003 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.646 4.709 5.446 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.959 5.594 7.767 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.693 7.291 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.017 7.802 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.284 6.009 6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.763 4.296 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.397 5.341 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.174 8.478 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.890 7.299 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.592 6.780 4.568 1.00 0.00 H new ATOM 45 N LEU A 151 -8.675 2.865 8.056 1.00 0.00 N ATOM 46 CA LEU A 151 -8.456 1.518 8.555 1.00 0.00 C ATOM 47 C LEU A 151 -9.120 0.514 7.612 1.00 0.00 C ATOM 48 O LEU A 151 -8.629 -0.601 7.440 1.00 0.00 O ATOM 49 CB LEU A 151 -8.927 1.401 10.007 1.00 0.00 C ATOM 50 CG LEU A 151 -10.441 1.445 10.227 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.989 0.053 10.544 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.810 2.467 11.305 1.00 0.00 C ATOM 0 H LEU A 151 -9.265 3.449 8.648 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.391 1.287 8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.547 0.465 10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.473 2.208 10.582 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.912 1.773 9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.067 0.112 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.776 -0.620 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.515 -0.327 11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.891 2.478 11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.329 2.195 12.244 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.473 3.457 10.998 1.00 0.00 H new ATOM 64 N ASP A 152 -10.226 0.944 7.024 1.00 0.00 N ATOM 65 CA ASP A 152 -10.963 0.097 6.102 1.00 0.00 C ATOM 66 C ASP A 152 -10.135 -0.108 4.832 1.00 0.00 C ATOM 67 O ASP A 152 -10.427 -0.995 4.031 1.00 0.00 O ATOM 68 CB ASP A 152 -12.291 0.742 5.701 1.00 0.00 C ATOM 69 CG ASP A 152 -13.228 -0.156 4.891 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.974 -0.973 5.452 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.173 0.010 3.613 1.00 0.00 O ATOM 0 H ASP A 152 -10.630 1.869 7.168 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.160 -0.852 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.810 1.061 6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.081 1.640 5.120 1.00 0.00 H new ATOM 77 N ILE A 153 -9.117 0.729 4.686 1.00 0.00 N ATOM 78 CA ILE A 153 -8.243 0.651 3.527 1.00 0.00 C ATOM 79 C ILE A 153 -7.119 -0.348 3.807 1.00 0.00 C ATOM 80 O ILE A 153 -6.113 0.002 4.421 1.00 0.00 O ATOM 81 CB ILE A 153 -7.747 2.044 3.135 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.904 2.928 2.668 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.633 1.955 2.090 1.00 0.00 C ATOM 84 CD1 ILE A 153 -9.995 3.014 3.736 1.00 0.00 C ATOM 0 H ILE A 153 -8.878 1.464 5.351 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.791 0.279 2.661 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.321 2.516 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.534 3.928 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.324 2.526 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.298 2.959 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.796 1.388 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.010 1.455 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.806 3.649 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.380 2.016 3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.578 3.439 4.649 1.00 0.00 H new ATOM 96 N ARG A 154 -7.328 -1.570 3.342 1.00 0.00 N ATOM 97 CA ARG A 154 -6.344 -2.622 3.536 1.00 0.00 C ATOM 98 C ARG A 154 -5.903 -3.190 2.185 1.00 0.00 C ATOM 99 O ARG A 154 -6.564 -2.975 1.171 1.00 0.00 O ATOM 100 CB ARG A 154 -6.907 -3.753 4.399 1.00 0.00 C ATOM 101 CG ARG A 154 -7.488 -3.208 5.704 1.00 0.00 C ATOM 102 CD ARG A 154 -7.532 -4.295 6.781 1.00 0.00 C ATOM 103 NE ARG A 154 -8.649 -4.038 7.716 1.00 0.00 N ATOM 104 CZ ARG A 154 -9.954 -4.095 7.371 1.00 0.00 C ATOM 105 NH1 ARG A 154 -10.316 -4.404 6.109 1.00 0.00 N ATOM 106 NH2 ARG A 154 -10.869 -3.845 8.289 1.00 0.00 N ATOM 0 H ARG A 154 -8.164 -1.856 2.832 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.487 -2.184 4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.681 -4.286 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -6.119 -4.473 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -6.885 -2.370 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -8.493 -2.826 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.654 -5.274 6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -6.588 -4.316 7.326 1.00 0.00 H new ATOM 0 HE ARG A 154 -8.420 -3.803 8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -9.602 -4.597 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -11.304 -4.445 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -10.586 -3.613 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -11.859 -3.884 8.046 1.00 0.00 H new ATOM 120 N GLN A 155 -4.789 -3.906 2.217 1.00 0.00 N ATOM 121 CA GLN A 155 -4.252 -4.508 1.008 1.00 0.00 C ATOM 122 C GLN A 155 -4.609 -5.995 0.950 1.00 0.00 C ATOM 123 O GLN A 155 -3.952 -6.819 1.585 1.00 0.00 O ATOM 124 CB GLN A 155 -2.739 -4.304 0.919 1.00 0.00 C ATOM 125 CG GLN A 155 -2.162 -5.005 -0.313 1.00 0.00 C ATOM 126 CD GLN A 155 -0.811 -5.650 0.006 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.236 -5.456 1.064 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.339 -6.426 -0.966 1.00 0.00 N ATOM 0 H GLN A 155 -4.243 -4.083 3.060 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.704 -4.013 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.514 -3.238 0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.263 -4.692 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.859 -5.766 -0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.043 -4.285 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.872 -6.545 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.556 -6.902 -0.850 1.00 0.00 H new ATOM 196 N PRO A 160 -5.435 -5.768 -6.010 1.00 0.00 N ATOM 197 CA PRO A 160 -4.162 -5.207 -6.432 1.00 0.00 C ATOM 198 C PRO A 160 -3.766 -4.019 -5.551 1.00 0.00 C ATOM 199 O PRO A 160 -4.622 -3.392 -4.930 1.00 0.00 O ATOM 200 CB PRO A 160 -4.363 -4.825 -7.890 1.00 0.00 C ATOM 201 CG PRO A 160 -5.867 -4.754 -8.097 1.00 0.00 C ATOM 202 CD PRO A 160 -6.535 -5.421 -6.905 1.00 0.00 C ATOM 0 HA PRO A 160 -3.338 -5.913 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.892 -3.867 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -3.912 -5.563 -8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.191 -3.717 -8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.149 -5.256 -9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.243 -4.749 -6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.093 -6.307 -7.208 1.00 0.00 H new ATOM 210 N PHE A 161 -2.469 -3.748 -5.527 1.00 0.00 N ATOM 211 CA PHE A 161 -1.952 -2.648 -4.734 1.00 0.00 C ATOM 212 C PHE A 161 -2.492 -1.307 -5.235 1.00 0.00 C ATOM 213 O PHE A 161 -2.650 -0.367 -4.458 1.00 0.00 O ATOM 214 CB PHE A 161 -0.429 -2.661 -4.891 1.00 0.00 C ATOM 215 CG PHE A 161 0.295 -1.625 -4.029 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.244 -1.714 -2.673 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.989 -0.615 -4.618 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.916 -0.754 -1.872 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.661 0.347 -3.817 1.00 0.00 C ATOM 220 CZ PHE A 161 1.610 0.256 -2.461 1.00 0.00 C ATOM 0 H PHE A 161 -1.762 -4.271 -6.044 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.256 -2.765 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.056 -3.653 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.181 -2.485 -5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.308 -2.516 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.029 -0.544 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.876 -0.826 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.212 1.150 -4.285 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.121 0.987 -1.852 1.00 0.00 H new ATOM 230 N ARG A 162 -2.762 -1.262 -6.532 1.00 0.00 N ATOM 231 CA ARG A 162 -3.283 -0.052 -7.147 1.00 0.00 C ATOM 232 C ARG A 162 -4.647 0.300 -6.551 1.00 0.00 C ATOM 233 O ARG A 162 -4.903 1.456 -6.219 1.00 0.00 O ATOM 234 CB ARG A 162 -3.421 -0.221 -8.661 1.00 0.00 C ATOM 235 CG ARG A 162 -3.024 1.063 -9.394 1.00 0.00 C ATOM 236 CD ARG A 162 -4.074 1.444 -10.440 1.00 0.00 C ATOM 237 NE ARG A 162 -5.224 2.107 -9.786 1.00 0.00 N ATOM 238 CZ ARG A 162 -6.378 2.414 -10.415 1.00 0.00 C ATOM 239 NH1 ARG A 162 -6.545 2.119 -11.722 1.00 0.00 N ATOM 240 NH2 ARG A 162 -7.340 3.005 -9.733 1.00 0.00 N ATOM 0 H ARG A 162 -2.630 -2.044 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.577 0.754 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.792 -1.045 -8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.450 -0.483 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -2.909 1.875 -8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.057 0.926 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.634 2.110 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.411 0.553 -10.970 1.00 0.00 H new ATOM 0 HE ARG A 162 -5.139 2.347 -8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.796 1.661 -12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.420 2.354 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -7.205 3.223 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.218 3.244 -10.193 1.00 0.00 H new ATOM 254 N ASP A 163 -5.488 -0.717 -6.437 1.00 0.00 N ATOM 255 CA ASP A 163 -6.821 -0.530 -5.887 1.00 0.00 C ATOM 256 C ASP A 163 -6.710 -0.167 -4.406 1.00 0.00 C ATOM 257 O ASP A 163 -7.516 0.604 -3.889 1.00 0.00 O ATOM 258 CB ASP A 163 -7.649 -1.810 -6.001 1.00 0.00 C ATOM 259 CG ASP A 163 -8.451 -1.949 -7.297 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.895 -2.246 -8.364 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.718 -1.734 -7.178 1.00 0.00 O ATOM 0 H ASP A 163 -5.273 -1.674 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.310 0.265 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -6.980 -2.666 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.339 -1.855 -5.158 1.00 0.00 H new ATOM 267 N TYR A 164 -5.704 -0.742 -3.762 1.00 0.00 N ATOM 268 CA TYR A 164 -5.478 -0.490 -2.349 1.00 0.00 C ATOM 269 C TYR A 164 -5.053 0.961 -2.111 1.00 0.00 C ATOM 270 O TYR A 164 -5.468 1.582 -1.135 1.00 0.00 O ATOM 271 CB TYR A 164 -4.335 -1.418 -1.933 1.00 0.00 C ATOM 272 CG TYR A 164 -3.854 -1.206 -0.496 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.770 -1.063 0.526 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.501 -1.157 -0.222 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.316 -0.863 1.877 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.048 -0.957 1.130 1.00 0.00 C ATOM 277 CZ TYR A 164 -2.978 -0.821 2.113 1.00 0.00 C ATOM 278 OH TYR A 164 -2.550 -0.631 3.390 1.00 0.00 O ATOM 0 H TYR A 164 -5.037 -1.382 -4.193 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.389 -0.666 -1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.660 -2.452 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.495 -1.270 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.828 -1.101 0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.783 -1.269 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.023 -0.749 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -0.993 -0.916 1.358 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.755 -0.058 3.387 1.00 0.00 H new ATOM 288 N VAL A 165 -4.230 1.458 -3.023 1.00 0.00 N ATOM 289 CA VAL A 165 -3.744 2.825 -2.926 1.00 0.00 C ATOM 290 C VAL A 165 -4.892 3.792 -3.221 1.00 0.00 C ATOM 291 O VAL A 165 -5.041 4.809 -2.544 1.00 0.00 O ATOM 292 CB VAL A 165 -2.543 3.021 -3.854 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.331 4.502 -4.168 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.281 2.399 -3.256 1.00 0.00 C ATOM 0 H VAL A 165 -3.888 0.940 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.394 3.035 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.755 2.507 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.472 4.614 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.220 4.901 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.150 5.048 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.443 2.552 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.062 2.870 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.437 1.330 -3.108 1.00 0.00 H new ATOM 304 N ASP A 166 -5.673 3.442 -4.231 1.00 0.00 N ATOM 305 CA ASP A 166 -6.804 4.266 -4.624 1.00 0.00 C ATOM 306 C ASP A 166 -7.745 4.436 -3.430 1.00 0.00 C ATOM 307 O ASP A 166 -8.213 5.541 -3.154 1.00 0.00 O ATOM 308 CB ASP A 166 -7.594 3.612 -5.759 1.00 0.00 C ATOM 309 CG ASP A 166 -8.471 4.569 -6.571 1.00 0.00 C ATOM 310 OD1 ASP A 166 -9.646 4.794 -6.241 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.894 5.102 -7.594 1.00 0.00 O ATOM 0 H ASP A 166 -5.546 2.598 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.419 5.229 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.893 3.123 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.227 2.831 -5.338 1.00 0.00 H new ATOM 317 N ARG A 167 -7.996 3.326 -2.752 1.00 0.00 N ATOM 318 CA ARG A 167 -8.873 3.337 -1.593 1.00 0.00 C ATOM 319 C ARG A 167 -8.256 4.170 -0.468 1.00 0.00 C ATOM 320 O ARG A 167 -8.943 4.968 0.167 1.00 0.00 O ATOM 321 CB ARG A 167 -9.132 1.917 -1.083 1.00 0.00 C ATOM 322 CG ARG A 167 -10.617 1.707 -0.780 1.00 0.00 C ATOM 323 CD ARG A 167 -11.322 1.008 -1.944 1.00 0.00 C ATOM 324 NE ARG A 167 -11.831 2.012 -2.904 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.608 1.717 -3.967 1.00 0.00 C ATOM 326 NH1 ARG A 167 -12.975 0.441 -4.215 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.006 2.694 -4.760 1.00 0.00 N ATOM 0 H ARG A 167 -7.607 2.412 -2.983 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.821 3.779 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.803 1.193 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.544 1.737 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.726 1.111 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.092 2.669 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.630 0.331 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -12.146 0.401 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 167 -11.579 2.989 -2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -12.665 -0.308 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -13.563 0.227 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -12.726 3.655 -4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.594 2.488 -5.568 1.00 0.00 H new ATOM 341 N PHE A 168 -6.966 3.956 -0.256 1.00 0.00 N ATOM 342 CA PHE A 168 -6.246 4.677 0.780 1.00 0.00 C ATOM 343 C PHE A 168 -6.330 6.189 0.555 1.00 0.00 C ATOM 344 O PHE A 168 -6.626 6.942 1.481 1.00 0.00 O ATOM 345 CB PHE A 168 -4.783 4.241 0.698 1.00 0.00 C ATOM 346 CG PHE A 168 -3.899 4.812 1.809 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.351 6.048 1.674 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.663 4.081 2.931 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.531 6.578 2.705 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.842 4.610 3.963 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.295 5.847 3.828 1.00 0.00 C ATOM 0 H PHE A 168 -6.400 3.293 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.680 4.457 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.737 3.153 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.378 4.545 -0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.539 6.627 0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.099 3.099 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.095 7.560 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.653 4.030 4.854 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.672 6.250 4.613 1.00 0.00 H new ATOM 361 N TYR A 169 -6.065 6.586 -0.680 1.00 0.00 N ATOM 362 CA TYR A 169 -6.106 7.993 -1.039 1.00 0.00 C ATOM 363 C TYR A 169 -7.549 8.486 -1.162 1.00 0.00 C ATOM 364 O TYR A 169 -7.809 9.684 -1.077 1.00 0.00 O ATOM 365 CB TYR A 169 -5.423 8.101 -2.403 1.00 0.00 C ATOM 366 CG TYR A 169 -3.896 8.069 -2.341 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.254 7.058 -1.652 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.158 9.050 -2.970 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.815 7.030 -1.592 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.719 9.022 -2.910 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.119 8.011 -2.224 1.00 0.00 C ATOM 372 OH TYR A 169 0.239 7.984 -2.167 1.00 0.00 O ATOM 0 H TYR A 169 -5.821 5.958 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.614 8.598 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.767 7.283 -3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.737 9.028 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.831 6.289 -1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.660 9.840 -3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.300 6.246 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.130 9.785 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 169 0.603 8.746 -2.664 1.00 0.00 H new ATOM 382 N LYS A 170 -8.450 7.534 -1.362 1.00 0.00 N ATOM 383 CA LYS A 170 -9.860 7.856 -1.500 1.00 0.00 C ATOM 384 C LYS A 170 -10.420 8.263 -0.136 1.00 0.00 C ATOM 385 O LYS A 170 -11.147 9.249 -0.027 1.00 0.00 O ATOM 386 CB LYS A 170 -10.613 6.697 -2.154 1.00 0.00 C ATOM 387 CG LYS A 170 -10.801 6.940 -3.653 1.00 0.00 C ATOM 388 CD LYS A 170 -11.525 5.765 -4.313 1.00 0.00 C ATOM 389 CE LYS A 170 -12.000 6.134 -5.720 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.735 5.006 -6.332 1.00 0.00 N ATOM 0 H LYS A 170 -8.230 6.540 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.994 8.708 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.064 5.768 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.586 6.576 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.371 7.856 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.830 7.085 -4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.858 4.905 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.379 5.470 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.643 7.013 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -11.144 6.398 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.006 5.255 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.127 4.163 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.590 4.806 -5.775 1.00 0.00 H new ATOM 404 N THR A 171 -10.064 7.479 0.872 1.00 0.00 N ATOM 405 CA THR A 171 -10.522 7.745 2.226 1.00 0.00 C ATOM 406 C THR A 171 -9.764 8.934 2.822 1.00 0.00 C ATOM 407 O THR A 171 -10.339 9.732 3.560 1.00 0.00 O ATOM 408 CB THR A 171 -10.369 6.457 3.038 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.280 5.549 2.424 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.892 6.602 4.468 1.00 0.00 C ATOM 0 H THR A 171 -9.464 6.660 0.778 1.00 0.00 H new ATOM 0 HA THR A 171 -11.574 8.031 2.239 1.00 0.00 H new ATOM 0 HB THR A 171 -9.319 6.166 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.862 5.152 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.760 5.660 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.339 7.389 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.951 6.860 4.444 1.00 0.00 H new ATOM 418 N LEU A 172 -8.488 9.014 2.478 1.00 0.00 N ATOM 419 CA LEU A 172 -7.647 10.091 2.970 1.00 0.00 C ATOM 420 C LEU A 172 -8.264 11.435 2.579 1.00 0.00 C ATOM 421 O LEU A 172 -8.291 12.366 3.381 1.00 0.00 O ATOM 422 CB LEU A 172 -6.208 9.912 2.483 1.00 0.00 C ATOM 423 CG LEU A 172 -5.708 10.943 1.470 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.435 12.288 2.146 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.484 10.424 0.714 1.00 0.00 C ATOM 0 H LEU A 172 -8.016 8.350 1.864 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.597 10.067 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.547 9.934 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.117 8.921 2.038 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.495 11.105 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.081 13.003 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.354 12.661 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.676 12.160 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.150 11.178 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.682 10.213 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.746 9.510 0.180 1.00 0.00 H new ATOM 437 N ARG A 173 -8.748 11.491 1.347 1.00 0.00 N ATOM 438 CA ARG A 173 -9.366 12.705 0.839 1.00 0.00 C ATOM 439 C ARG A 173 -10.686 12.971 1.563 1.00 0.00 C ATOM 440 O ARG A 173 -11.297 14.024 1.383 1.00 0.00 O ATOM 441 CB ARG A 173 -9.626 12.602 -0.665 1.00 0.00 C ATOM 442 CG ARG A 173 -9.123 13.850 -1.394 1.00 0.00 C ATOM 443 CD ARG A 173 -10.044 14.213 -2.560 1.00 0.00 C ATOM 444 NE ARG A 173 -9.241 14.519 -3.765 1.00 0.00 N ATOM 445 CZ ARG A 173 -9.679 15.274 -4.795 1.00 0.00 C ATOM 446 NH1 ARG A 173 -10.920 15.806 -4.777 1.00 0.00 N ATOM 447 NH2 ARG A 173 -8.877 15.484 -5.821 1.00 0.00 N ATOM 0 H ARG A 173 -8.725 10.715 0.685 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.677 13.530 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.129 11.718 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.694 12.476 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -9.068 14.685 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -8.113 13.677 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -10.725 13.387 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.658 15.073 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.298 14.135 -3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -11.535 15.639 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -11.242 16.375 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -7.941 15.078 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -9.193 16.052 -6.607 1.00 0.00 H new ATOM 461 N ALA A 174 -11.092 11.997 2.366 1.00 0.00 N ATOM 462 CA ALA A 174 -12.329 12.114 3.117 1.00 0.00 C ATOM 463 C ALA A 174 -12.082 11.695 4.568 1.00 0.00 C ATOM 464 O ALA A 174 -12.998 11.244 5.254 1.00 0.00 O ATOM 465 CB ALA A 174 -13.415 11.272 2.444 1.00 0.00 C ATOM 0 H ALA A 174 -10.585 11.124 2.512 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.676 13.147 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.344 11.359 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.573 11.628 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -13.103 10.228 2.419 1.00 0.00 H new ATOM 630 N THR A 186 1.702 8.955 4.778 1.00 0.00 N ATOM 631 CA THR A 186 0.835 8.281 3.828 1.00 0.00 C ATOM 632 C THR A 186 1.363 6.877 3.527 1.00 0.00 C ATOM 633 O THR A 186 0.674 5.887 3.768 1.00 0.00 O ATOM 634 CB THR A 186 0.717 9.165 2.584 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.486 9.899 2.793 1.00 0.00 O ATOM 636 CG2 THR A 186 0.444 8.357 1.315 1.00 0.00 C ATOM 0 HA THR A 186 -0.165 8.138 4.238 1.00 0.00 H new ATOM 0 HB THR A 186 1.635 9.739 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.639 10.499 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.369 9.032 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.259 7.653 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.492 7.809 1.427 1.00 0.00 H new ATOM 644 N GLU A 187 2.580 6.836 3.005 1.00 0.00 N ATOM 645 CA GLU A 187 3.208 5.570 2.670 1.00 0.00 C ATOM 646 C GLU A 187 3.363 4.705 3.921 1.00 0.00 C ATOM 647 O GLU A 187 3.355 3.478 3.838 1.00 0.00 O ATOM 648 CB GLU A 187 4.559 5.792 1.986 1.00 0.00 C ATOM 649 CG GLU A 187 5.524 6.541 2.908 1.00 0.00 C ATOM 650 CD GLU A 187 5.739 7.977 2.426 1.00 0.00 C ATOM 651 OE1 GLU A 187 4.825 8.579 1.843 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.904 8.468 2.678 1.00 0.00 O ATOM 0 H GLU A 187 3.148 7.660 2.806 1.00 0.00 H new ATOM 0 HA GLU A 187 2.563 5.043 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.991 4.831 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.416 6.359 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.129 6.550 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.480 6.018 2.942 1.00 0.00 H new ATOM 660 N THR A 188 3.501 5.379 5.053 1.00 0.00 N ATOM 661 CA THR A 188 3.658 4.688 6.323 1.00 0.00 C ATOM 662 C THR A 188 2.340 4.030 6.738 1.00 0.00 C ATOM 663 O THR A 188 2.331 2.893 7.208 1.00 0.00 O ATOM 664 CB THR A 188 4.183 5.695 7.348 1.00 0.00 C ATOM 665 OG1 THR A 188 5.206 4.985 8.039 1.00 0.00 O ATOM 666 CG2 THR A 188 3.154 6.018 8.433 1.00 0.00 C ATOM 0 H THR A 188 3.507 6.397 5.118 1.00 0.00 H new ATOM 0 HA THR A 188 4.381 3.876 6.245 1.00 0.00 H new ATOM 0 HB THR A 188 4.472 6.614 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.602 5.565 8.722 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.578 6.737 9.134 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.261 6.442 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.888 5.105 8.966 1.00 0.00 H new ATOM 674 N LEU A 189 1.259 4.773 6.547 1.00 0.00 N ATOM 675 CA LEU A 189 -0.061 4.276 6.896 1.00 0.00 C ATOM 676 C LEU A 189 -0.445 3.147 5.938 1.00 0.00 C ATOM 677 O LEU A 189 -0.916 2.095 6.371 1.00 0.00 O ATOM 678 CB LEU A 189 -1.073 5.423 6.932 1.00 0.00 C ATOM 679 CG LEU A 189 -1.541 5.861 8.322 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.385 7.134 8.239 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.280 4.727 9.034 1.00 0.00 C ATOM 0 H LEU A 189 1.271 5.715 6.155 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.056 3.854 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.633 6.285 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -1.948 5.128 6.352 1.00 0.00 H new ATOM 0 HG LEU A 189 -0.661 6.097 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -2.705 7.424 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -1.791 7.936 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.261 6.950 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.602 5.065 10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.152 4.436 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.614 3.871 9.143 1.00 0.00 H new ATOM 693 N LEU A 190 -0.231 3.402 4.656 1.00 0.00 N ATOM 694 CA LEU A 190 -0.549 2.420 3.634 1.00 0.00 C ATOM 695 C LEU A 190 0.246 1.139 3.898 1.00 0.00 C ATOM 696 O LEU A 190 -0.297 0.039 3.810 1.00 0.00 O ATOM 697 CB LEU A 190 -0.324 3.006 2.239 1.00 0.00 C ATOM 698 CG LEU A 190 -0.519 2.043 1.066 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.846 2.310 0.353 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.669 2.100 0.105 1.00 0.00 C ATOM 0 H LEU A 190 0.159 4.275 4.301 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.605 2.155 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.002 3.849 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.690 3.403 2.193 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.564 1.028 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.960 1.612 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.669 2.177 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.855 3.331 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.504 1.406 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.771 3.112 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.580 1.823 0.636 1.00 0.00 H new ATOM 712 N VAL A 191 1.518 1.326 4.217 1.00 0.00 N ATOM 713 CA VAL A 191 2.393 0.199 4.494 1.00 0.00 C ATOM 714 C VAL A 191 1.924 -0.502 5.771 1.00 0.00 C ATOM 715 O VAL A 191 1.823 -1.727 5.810 1.00 0.00 O ATOM 716 CB VAL A 191 3.846 0.670 4.569 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.754 -0.435 5.110 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.334 1.163 3.205 1.00 0.00 C ATOM 0 H VAL A 191 1.964 2.240 4.290 1.00 0.00 H new ATOM 0 HA VAL A 191 2.344 -0.531 3.686 1.00 0.00 H new ATOM 0 HB VAL A 191 3.890 1.509 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.781 -0.073 5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.427 -0.718 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.702 -1.303 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.370 1.492 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.267 0.352 2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.713 1.996 2.876 1.00 0.00 H new ATOM 728 N GLN A 192 1.651 0.305 6.785 1.00 0.00 N ATOM 729 CA GLN A 192 1.196 -0.221 8.060 1.00 0.00 C ATOM 730 C GLN A 192 -0.169 -0.894 7.899 1.00 0.00 C ATOM 731 O GLN A 192 -0.433 -1.925 8.517 1.00 0.00 O ATOM 732 CB GLN A 192 1.143 0.880 9.120 1.00 0.00 C ATOM 733 CG GLN A 192 2.499 1.041 9.812 1.00 0.00 C ATOM 734 CD GLN A 192 2.458 2.172 10.841 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.450 2.431 11.478 1.00 0.00 O ATOM 736 NE2 GLN A 192 3.608 2.830 10.967 1.00 0.00 N ATOM 0 H GLN A 192 1.736 1.321 6.749 1.00 0.00 H new ATOM 0 HA GLN A 192 1.912 -0.970 8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.853 1.823 8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.379 0.641 9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.774 0.107 10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 192 3.268 1.249 9.068 1.00 0.00 H new ATOM 0 HE21 GLN A 192 4.414 2.561 10.403 1.00 0.00 H new ATOM 0 HE22 GLN A 192 3.683 3.603 11.628 1.00 0.00 H new ATOM 745 N ASN A 193 -1.000 -0.285 7.067 1.00 0.00 N ATOM 746 CA ASN A 193 -2.330 -0.811 6.818 1.00 0.00 C ATOM 747 C ASN A 193 -2.265 -1.831 5.678 1.00 0.00 C ATOM 748 O ASN A 193 -3.297 -2.284 5.187 1.00 0.00 O ATOM 749 CB ASN A 193 -3.295 0.301 6.402 1.00 0.00 C ATOM 750 CG ASN A 193 -4.749 -0.125 6.616 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.073 -1.298 6.700 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.602 0.891 6.701 1.00 0.00 N ATOM 0 H ASN A 193 -0.777 0.569 6.556 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.687 -1.272 7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.088 1.202 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.136 0.551 5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.596 0.712 6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.263 1.850 6.622 1.00 0.00 H new ATOM 759 N ALA A 194 -1.041 -2.162 5.292 1.00 0.00 N ATOM 760 CA ALA A 194 -0.829 -3.120 4.220 1.00 0.00 C ATOM 761 C ALA A 194 -0.603 -4.509 4.820 1.00 0.00 C ATOM 762 O ALA A 194 -0.377 -4.639 6.023 1.00 0.00 O ATOM 763 CB ALA A 194 0.346 -2.662 3.353 1.00 0.00 C ATOM 0 H ALA A 194 -0.187 -1.784 5.702 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.707 -3.178 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.506 -3.380 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.124 -1.683 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.246 -2.596 3.965 1.00 0.00 H new ATOM 769 N ASN A 195 -0.672 -5.509 3.956 1.00 0.00 N ATOM 770 CA ASN A 195 -0.478 -6.885 4.386 1.00 0.00 C ATOM 771 C ASN A 195 0.869 -7.006 5.100 1.00 0.00 C ATOM 772 O ASN A 195 1.655 -6.059 5.116 1.00 0.00 O ATOM 773 CB ASN A 195 -0.467 -7.838 3.190 1.00 0.00 C ATOM 774 CG ASN A 195 -1.612 -8.849 3.285 1.00 0.00 C ATOM 775 OD1 ASN A 195 -1.445 -10.038 3.067 1.00 0.00 O ATOM 776 ND2 ASN A 195 -2.782 -8.312 3.621 1.00 0.00 N ATOM 0 H ASN A 195 -0.859 -5.396 2.960 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.300 -7.150 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.556 -7.268 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.486 -8.365 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -3.608 -8.904 3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -2.853 -7.309 3.790 1.00 0.00 H new ATOM 783 N PRO A 196 1.101 -8.209 5.687 1.00 0.00 N ATOM 784 CA PRO A 196 2.341 -8.467 6.402 1.00 0.00 C ATOM 785 C PRO A 196 3.501 -8.681 5.427 1.00 0.00 C ATOM 786 O PRO A 196 4.538 -8.030 5.540 1.00 0.00 O ATOM 787 CB PRO A 196 2.054 -9.689 7.259 1.00 0.00 C ATOM 788 CG PRO A 196 0.825 -10.346 6.652 1.00 0.00 C ATOM 789 CD PRO A 196 0.195 -9.354 5.688 1.00 0.00 C ATOM 0 HA PRO A 196 2.652 -7.626 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.902 -10.373 7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.873 -9.405 8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.100 -11.263 6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.116 -10.624 7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.096 -9.781 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.805 -9.067 6.013 1.00 0.00 H new ATOM 797 N ASP A 197 3.286 -9.594 4.492 1.00 0.00 N ATOM 798 CA ASP A 197 4.301 -9.901 3.498 1.00 0.00 C ATOM 799 C ASP A 197 4.775 -8.603 2.842 1.00 0.00 C ATOM 800 O ASP A 197 5.974 -8.346 2.759 1.00 0.00 O ATOM 801 CB ASP A 197 3.741 -10.809 2.402 1.00 0.00 C ATOM 802 CG ASP A 197 4.477 -12.140 2.225 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.282 -12.541 3.077 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.190 -12.782 1.145 1.00 0.00 O ATOM 0 H ASP A 197 2.424 -10.131 4.401 1.00 0.00 H new ATOM 0 HA ASP A 197 5.124 -10.409 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.694 -11.017 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.766 -10.269 1.456 1.00 0.00 H new ATOM 810 N CYS A 198 3.807 -7.818 2.391 1.00 0.00 N ATOM 811 CA CYS A 198 4.110 -6.553 1.743 1.00 0.00 C ATOM 812 C CYS A 198 4.996 -5.733 2.683 1.00 0.00 C ATOM 813 O CYS A 198 5.912 -5.046 2.235 1.00 0.00 O ATOM 814 CB CYS A 198 2.837 -5.797 1.355 1.00 0.00 C ATOM 815 SG CYS A 198 3.255 -4.379 0.276 1.00 0.00 S ATOM 0 H CYS A 198 2.813 -8.034 2.462 1.00 0.00 H new ATOM 0 HA CYS A 198 4.643 -6.737 0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.149 -6.467 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.326 -5.445 2.251 1.00 0.00 H new ATOM 0 HG CYS A 198 2.575 -4.459 -0.829 1.00 0.00 H new ATOM 821 N LYS A 199 4.693 -5.833 3.968 1.00 0.00 N ATOM 822 CA LYS A 199 5.451 -5.109 4.976 1.00 0.00 C ATOM 823 C LYS A 199 6.923 -5.520 4.892 1.00 0.00 C ATOM 824 O LYS A 199 7.812 -4.674 4.962 1.00 0.00 O ATOM 825 CB LYS A 199 4.834 -5.312 6.360 1.00 0.00 C ATOM 826 CG LYS A 199 5.300 -4.228 7.333 1.00 0.00 C ATOM 827 CD LYS A 199 4.664 -4.417 8.712 1.00 0.00 C ATOM 828 CE LYS A 199 3.430 -3.527 8.872 1.00 0.00 C ATOM 829 NZ LYS A 199 2.301 -4.058 8.074 1.00 0.00 N ATOM 0 H LYS A 199 3.932 -6.405 4.336 1.00 0.00 H new ATOM 0 HA LYS A 199 5.407 -4.036 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.747 -5.294 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.110 -6.294 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.386 -4.257 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.039 -3.245 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 199 4.384 -5.462 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 199 5.392 -4.179 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.147 -3.473 9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 199 3.663 -2.511 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 1.405 -3.855 8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.295 -3.606 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 2.409 -5.086 7.962 1.00 0.00 H new ATOM 843 N THR A 200 7.134 -6.820 4.744 1.00 0.00 N ATOM 844 CA THR A 200 8.481 -7.353 4.651 1.00 0.00 C ATOM 845 C THR A 200 9.167 -6.852 3.378 1.00 0.00 C ATOM 846 O THR A 200 10.348 -6.512 3.397 1.00 0.00 O ATOM 847 CB THR A 200 8.394 -8.878 4.733 1.00 0.00 C ATOM 848 OG1 THR A 200 7.759 -9.122 5.985 1.00 0.00 O ATOM 849 CG2 THR A 200 9.768 -9.537 4.877 1.00 0.00 C ATOM 0 H THR A 200 6.394 -7.519 4.686 1.00 0.00 H new ATOM 0 HA THR A 200 9.101 -7.003 5.476 1.00 0.00 H new ATOM 0 HB THR A 200 7.900 -9.262 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.661 -10.088 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.649 -10.619 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.386 -9.282 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.249 -9.179 5.787 1.00 0.00 H new ATOM 857 N ILE A 201 8.395 -6.822 2.301 1.00 0.00 N ATOM 858 CA ILE A 201 8.913 -6.369 1.023 1.00 0.00 C ATOM 859 C ILE A 201 9.312 -4.895 1.131 1.00 0.00 C ATOM 860 O ILE A 201 10.390 -4.506 0.686 1.00 0.00 O ATOM 861 CB ILE A 201 7.905 -6.651 -0.095 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.208 -7.995 0.124 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.572 -6.567 -1.469 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.905 -8.678 -1.211 1.00 0.00 C ATOM 0 H ILE A 201 7.415 -7.104 2.288 1.00 0.00 H new ATOM 0 HA ILE A 201 9.813 -6.925 0.759 1.00 0.00 H new ATOM 0 HB ILE A 201 7.135 -5.880 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.840 -8.642 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.281 -7.843 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.834 -6.771 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.983 -5.568 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.375 -7.302 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.410 -9.631 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.253 -8.039 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.836 -8.851 -1.751 1.00 0.00 H new ATOM 876 N LEU A 202 8.421 -4.116 1.726 1.00 0.00 N ATOM 877 CA LEU A 202 8.667 -2.695 1.900 1.00 0.00 C ATOM 878 C LEU A 202 9.792 -2.497 2.917 1.00 0.00 C ATOM 879 O LEU A 202 10.471 -1.472 2.907 1.00 0.00 O ATOM 880 CB LEU A 202 7.371 -1.969 2.267 1.00 0.00 C ATOM 881 CG LEU A 202 6.638 -1.279 1.113 1.00 0.00 C ATOM 882 CD1 LEU A 202 5.132 -1.530 1.192 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.969 0.215 1.070 1.00 0.00 C ATOM 0 H LEU A 202 7.527 -4.442 2.094 1.00 0.00 H new ATOM 0 HA LEU A 202 9.002 -2.249 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.692 -2.689 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.600 -1.220 3.025 1.00 0.00 H new ATOM 0 HG LEU A 202 6.988 -1.714 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 202 4.636 -1.029 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.938 -2.601 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.747 -1.139 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 202 6.436 0.682 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.665 0.682 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 202 8.042 0.346 0.931 1.00 0.00 H new ATOM 895 N LYS A 203 9.956 -3.495 3.773 1.00 0.00 N ATOM 896 CA LYS A 203 10.987 -3.444 4.795 1.00 0.00 C ATOM 897 C LYS A 203 12.355 -3.655 4.143 1.00 0.00 C ATOM 898 O LYS A 203 13.285 -2.887 4.385 1.00 0.00 O ATOM 899 CB LYS A 203 10.681 -4.440 5.917 1.00 0.00 C ATOM 900 CG LYS A 203 9.906 -3.765 7.052 1.00 0.00 C ATOM 901 CD LYS A 203 9.460 -4.791 8.095 1.00 0.00 C ATOM 902 CE LYS A 203 9.863 -4.352 9.503 1.00 0.00 C ATOM 903 NZ LYS A 203 11.317 -4.542 9.708 1.00 0.00 N ATOM 0 H LYS A 203 9.391 -4.344 3.779 1.00 0.00 H new ATOM 0 HA LYS A 203 11.005 -2.462 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.101 -5.273 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.612 -4.855 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.532 -3.008 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.035 -3.250 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.379 -4.919 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.906 -5.760 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 203 9.602 -3.304 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 203 9.307 -4.927 10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 11.575 -4.239 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 11.556 -5.547 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.843 -3.974 9.013 1.00 0.00 H new ATOM 917 N ALA A 204 12.434 -4.697 3.329 1.00 0.00 N ATOM 918 CA ALA A 204 13.672 -5.018 2.642 1.00 0.00 C ATOM 919 C ALA A 204 13.903 -4.006 1.517 1.00 0.00 C ATOM 920 O ALA A 204 15.021 -3.861 1.027 1.00 0.00 O ATOM 921 CB ALA A 204 13.613 -6.457 2.128 1.00 0.00 C ATOM 0 H ALA A 204 11.660 -5.330 3.130 1.00 0.00 H new ATOM 0 HA ALA A 204 14.518 -4.951 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.543 -6.698 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.477 -7.138 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.777 -6.562 1.437 1.00 0.00 H new ATOM 927 N LEU A 205 12.825 -3.333 1.140 1.00 0.00 N ATOM 928 CA LEU A 205 12.895 -2.339 0.082 1.00 0.00 C ATOM 929 C LEU A 205 13.487 -1.044 0.642 1.00 0.00 C ATOM 930 O LEU A 205 14.601 -0.663 0.288 1.00 0.00 O ATOM 931 CB LEU A 205 11.524 -2.156 -0.572 1.00 0.00 C ATOM 932 CG LEU A 205 11.205 -0.748 -1.078 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.624 -0.791 -2.492 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.284 -0.011 -0.103 1.00 0.00 C ATOM 0 H LEU A 205 11.899 -3.457 1.548 1.00 0.00 H new ATOM 0 HA LEU A 205 13.560 -2.676 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 205 11.448 -2.848 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.758 -2.444 0.149 1.00 0.00 H new ATOM 0 HG LEU A 205 12.137 -0.185 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.406 0.223 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.346 -1.249 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.705 -1.377 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 205 10.073 0.987 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.351 -0.564 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.772 0.069 0.868 1.00 0.00 H new ATOM 946 N GLY A 206 12.714 -0.405 1.509 1.00 0.00 N ATOM 947 CA GLY A 206 13.149 0.839 2.121 1.00 0.00 C ATOM 948 C GLY A 206 11.979 1.551 2.804 1.00 0.00 C ATOM 949 O GLY A 206 10.902 1.679 2.225 1.00 0.00 O ATOM 0 H GLY A 206 11.791 -0.725 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.932 0.635 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.583 1.490 1.362 1.00 0.00 H new ATOM 953 N PRO A 207 12.238 2.008 4.059 1.00 0.00 N ATOM 954 CA PRO A 207 11.219 2.704 4.826 1.00 0.00 C ATOM 955 C PRO A 207 11.022 4.132 4.309 1.00 0.00 C ATOM 956 O PRO A 207 11.164 5.093 5.062 1.00 0.00 O ATOM 957 CB PRO A 207 11.710 2.657 6.265 1.00 0.00 C ATOM 958 CG PRO A 207 13.196 2.348 6.189 1.00 0.00 C ATOM 959 CD PRO A 207 13.502 1.875 4.776 1.00 0.00 C ATOM 0 HA PRO A 207 10.236 2.240 4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 207 11.534 3.607 6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 207 11.181 1.892 6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 207 13.783 3.234 6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 207 13.464 1.580 6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.284 2.480 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 207 13.853 0.843 4.771 1.00 0.00 H new ATOM 967 N GLY A 208 10.700 4.222 3.027 1.00 0.00 N ATOM 968 CA GLY A 208 10.482 5.515 2.401 1.00 0.00 C ATOM 969 C GLY A 208 10.502 5.396 0.876 1.00 0.00 C ATOM 970 O GLY A 208 11.069 6.245 0.191 1.00 0.00 O ATOM 0 H GLY A 208 10.585 3.422 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.525 5.923 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.253 6.214 2.725 1.00 0.00 H new ATOM 974 N ALA A 209 9.873 4.335 0.390 1.00 0.00 N ATOM 975 CA ALA A 209 9.810 4.094 -1.041 1.00 0.00 C ATOM 976 C ALA A 209 8.698 4.950 -1.650 1.00 0.00 C ATOM 977 O ALA A 209 7.823 5.435 -0.938 1.00 0.00 O ATOM 978 CB ALA A 209 9.602 2.599 -1.299 1.00 0.00 C ATOM 0 H ALA A 209 9.403 3.633 0.962 1.00 0.00 H new ATOM 0 HA ALA A 209 10.746 4.381 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.555 2.418 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.433 2.037 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.670 2.276 -0.835 1.00 0.00 H new ATOM 984 N THR A 210 8.773 5.110 -2.964 1.00 0.00 N ATOM 985 CA THR A 210 7.783 5.900 -3.678 1.00 0.00 C ATOM 986 C THR A 210 6.648 5.005 -4.181 1.00 0.00 C ATOM 987 O THR A 210 6.841 3.808 -4.387 1.00 0.00 O ATOM 988 CB THR A 210 8.500 6.658 -4.797 1.00 0.00 C ATOM 989 OG1 THR A 210 7.482 7.471 -5.374 1.00 0.00 O ATOM 990 CG2 THR A 210 8.938 5.740 -5.940 1.00 0.00 C ATOM 0 H THR A 210 9.503 4.707 -3.552 1.00 0.00 H new ATOM 0 HA THR A 210 7.312 6.631 -3.021 1.00 0.00 H new ATOM 0 HB THR A 210 9.372 7.168 -4.388 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.861 7.998 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.441 6.329 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.622 4.983 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.063 5.254 -6.372 1.00 0.00 H new ATOM 998 N LEU A 211 5.489 5.621 -4.364 1.00 0.00 N ATOM 999 CA LEU A 211 4.324 4.895 -4.840 1.00 0.00 C ATOM 1000 C LEU A 211 4.754 3.894 -5.914 1.00 0.00 C ATOM 1001 O LEU A 211 4.231 2.783 -5.977 1.00 0.00 O ATOM 1002 CB LEU A 211 3.241 5.869 -5.308 1.00 0.00 C ATOM 1003 CG LEU A 211 1.815 5.315 -5.355 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.714 4.140 -6.328 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.327 4.940 -3.952 1.00 0.00 C ATOM 0 H LEU A 211 5.332 6.614 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 211 3.877 4.320 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.251 6.737 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.505 6.223 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 211 1.156 6.099 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.690 3.766 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 211 1.993 4.471 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.387 3.344 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.311 4.549 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 211 1.984 4.180 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.338 5.824 -3.315 1.00 0.00 H new ATOM 1017 N GLU A 212 5.705 4.323 -6.731 1.00 0.00 N ATOM 1018 CA GLU A 212 6.212 3.477 -7.798 1.00 0.00 C ATOM 1019 C GLU A 212 6.977 2.288 -7.215 1.00 0.00 C ATOM 1020 O GLU A 212 6.709 1.140 -7.567 1.00 0.00 O ATOM 1021 CB GLU A 212 7.095 4.277 -8.760 1.00 0.00 C ATOM 1022 CG GLU A 212 6.639 4.089 -10.207 1.00 0.00 C ATOM 1023 CD GLU A 212 7.222 5.176 -11.111 1.00 0.00 C ATOM 1024 OE1 GLU A 212 7.177 6.365 -10.760 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.737 4.750 -12.215 1.00 0.00 O ATOM 0 H GLU A 212 6.138 5.245 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 212 5.364 3.096 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.059 5.334 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.132 3.958 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.950 3.108 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.550 4.116 -10.255 1.00 0.00 H new ATOM 1033 N GLU A 213 7.913 2.601 -6.332 1.00 0.00 N ATOM 1034 CA GLU A 213 8.719 1.571 -5.697 1.00 0.00 C ATOM 1035 C GLU A 213 7.845 0.694 -4.799 1.00 0.00 C ATOM 1036 O GLU A 213 8.039 -0.520 -4.732 1.00 0.00 O ATOM 1037 CB GLU A 213 9.872 2.189 -4.905 1.00 0.00 C ATOM 1038 CG GLU A 213 10.968 1.156 -4.634 1.00 0.00 C ATOM 1039 CD GLU A 213 12.113 1.293 -5.639 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.872 1.611 -6.813 1.00 0.00 O ATOM 1041 OE2 GLU A 213 13.288 1.061 -5.161 1.00 0.00 O ATOM 0 H GLU A 213 8.132 3.554 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 213 9.152 0.943 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.289 3.030 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.498 2.584 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.351 1.284 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.548 0.152 -4.691 1.00 0.00 H new ATOM 1049 N MET A 214 6.902 1.341 -4.129 1.00 0.00 N ATOM 1050 CA MET A 214 5.998 0.633 -3.238 1.00 0.00 C ATOM 1051 C MET A 214 5.135 -0.364 -4.012 1.00 0.00 C ATOM 1052 O MET A 214 4.888 -1.473 -3.539 1.00 0.00 O ATOM 1053 CB MET A 214 5.096 1.642 -2.521 1.00 0.00 C ATOM 1054 CG MET A 214 5.927 2.682 -1.767 1.00 0.00 C ATOM 1055 SD MET A 214 5.182 3.026 -0.182 1.00 0.00 S ATOM 1056 CE MET A 214 6.648 3.285 0.801 1.00 0.00 C ATOM 0 H MET A 214 6.745 2.347 -4.185 1.00 0.00 H new ATOM 0 HA MET A 214 6.592 0.081 -2.510 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.454 2.141 -3.247 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.442 1.119 -1.823 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.944 2.316 -1.628 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.996 3.599 -2.353 1.00 0.00 H new ATOM 0 HE1 MET A 214 6.507 2.843 1.787 1.00 0.00 H new ATOM 0 HE2 MET A 214 7.502 2.816 0.312 1.00 0.00 H new ATOM 0 HE3 MET A 214 6.832 4.354 0.905 1.00 0.00 H new ATOM 1066 N MET A 215 4.700 0.065 -5.187 1.00 0.00 N ATOM 1067 CA MET A 215 3.869 -0.777 -6.031 1.00 0.00 C ATOM 1068 C MET A 215 4.686 -1.919 -6.640 1.00 0.00 C ATOM 1069 O MET A 215 4.169 -3.014 -6.852 1.00 0.00 O ATOM 1070 CB MET A 215 3.256 0.066 -7.150 1.00 0.00 C ATOM 1071 CG MET A 215 2.211 -0.734 -7.931 1.00 0.00 C ATOM 1072 SD MET A 215 2.508 -0.577 -9.684 1.00 0.00 S ATOM 1073 CE MET A 215 2.794 -2.289 -10.103 1.00 0.00 C ATOM 0 H MET A 215 4.907 0.985 -5.575 1.00 0.00 H new ATOM 0 HA MET A 215 3.079 -1.208 -5.416 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.794 0.958 -6.727 1.00 0.00 H new ATOM 0 HB3 MET A 215 4.041 0.404 -7.827 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.252 -1.783 -7.639 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.211 -0.375 -7.690 1.00 0.00 H new ATOM 0 HE1 MET A 215 2.979 -2.375 -11.174 1.00 0.00 H new ATOM 0 HE2 MET A 215 3.660 -2.658 -9.554 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.917 -2.880 -9.838 1.00 0.00 H new ATOM 1083 N THR A 216 5.950 -1.621 -6.906 1.00 0.00 N ATOM 1084 CA THR A 216 6.844 -2.608 -7.489 1.00 0.00 C ATOM 1085 C THR A 216 7.096 -3.747 -6.498 1.00 0.00 C ATOM 1086 O THR A 216 7.145 -4.914 -6.887 1.00 0.00 O ATOM 1087 CB THR A 216 8.121 -1.889 -7.926 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.949 -1.700 -9.329 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.361 -2.780 -7.820 1.00 0.00 C ATOM 0 H THR A 216 6.376 -0.711 -6.729 1.00 0.00 H new ATOM 0 HA THR A 216 6.400 -3.075 -8.368 1.00 0.00 H new ATOM 0 HB THR A 216 8.262 -0.997 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.732 -1.238 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.239 -2.221 -8.142 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.493 -3.099 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.235 -3.656 -8.456 1.00 0.00 H new ATOM 1097 N ALA A 217 7.253 -3.370 -5.238 1.00 0.00 N ATOM 1098 CA ALA A 217 7.499 -4.345 -4.189 1.00 0.00 C ATOM 1099 C ALA A 217 6.218 -5.138 -3.926 1.00 0.00 C ATOM 1100 O ALA A 217 6.262 -6.356 -3.749 1.00 0.00 O ATOM 1101 CB ALA A 217 8.009 -3.630 -2.937 1.00 0.00 C ATOM 0 H ALA A 217 7.215 -2.402 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 217 8.268 -5.053 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.194 -4.361 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.936 -3.106 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.262 -2.913 -2.598 1.00 0.00 H new ATOM 1107 N CYS A 218 5.106 -4.418 -3.907 1.00 0.00 N ATOM 1108 CA CYS A 218 3.814 -5.040 -3.668 1.00 0.00 C ATOM 1109 C CYS A 218 3.555 -6.054 -4.784 1.00 0.00 C ATOM 1110 O CYS A 218 3.040 -7.141 -4.531 1.00 0.00 O ATOM 1111 CB CYS A 218 2.696 -4.001 -3.569 1.00 0.00 C ATOM 1112 SG CYS A 218 1.258 -4.711 -2.685 1.00 0.00 S ATOM 0 H CYS A 218 5.073 -3.409 -4.053 1.00 0.00 H new ATOM 0 HA CYS A 218 3.827 -5.555 -2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 218 3.056 -3.116 -3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.398 -3.680 -4.567 1.00 0.00 H new ATOM 0 HG CYS A 218 0.393 -3.772 -2.439 1.00 0.00 H new ATOM 1118 N GLN A 219 3.924 -5.660 -5.994 1.00 0.00 N ATOM 1119 CA GLN A 219 3.737 -6.521 -7.150 1.00 0.00 C ATOM 1120 C GLN A 219 4.543 -7.812 -6.986 1.00 0.00 C ATOM 1121 O GLN A 219 4.206 -8.836 -7.577 1.00 0.00 O ATOM 1122 CB GLN A 219 4.121 -5.796 -8.442 1.00 0.00 C ATOM 1123 CG GLN A 219 2.967 -5.816 -9.445 1.00 0.00 C ATOM 1124 CD GLN A 219 3.471 -5.552 -10.866 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.167 -4.587 -11.135 1.00 0.00 O ATOM 1126 NE2 GLN A 219 3.081 -6.461 -11.756 1.00 0.00 N ATOM 0 H GLN A 219 4.351 -4.757 -6.199 1.00 0.00 H new ATOM 0 HA GLN A 219 2.681 -6.781 -7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.394 -4.765 -8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.998 -6.270 -8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.464 -6.782 -9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.229 -5.062 -9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 219 2.498 -7.245 -11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.365 -6.374 -12.732 1.00 0.00 H new ATOM 1135 N GLY A 220 5.593 -7.719 -6.181 1.00 0.00 N ATOM 1136 CA GLY A 220 6.447 -8.867 -5.932 1.00 0.00 C ATOM 1137 C GLY A 220 5.805 -9.824 -4.927 1.00 0.00 C ATOM 1138 O GLY A 220 6.099 -11.018 -4.924 1.00 0.00 O ATOM 0 H GLY A 220 5.870 -6.867 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.638 -9.392 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.412 -8.531 -5.553 1.00 0.00 H new ATOM 1142 N VAL A 221 4.935 -9.264 -4.098 1.00 0.00 N ATOM 1143 CA VAL A 221 4.247 -10.051 -3.089 1.00 0.00 C ATOM 1144 C VAL A 221 3.720 -11.339 -3.728 1.00 0.00 C ATOM 1145 O VAL A 221 3.336 -11.344 -4.895 1.00 0.00 O ATOM 1146 CB VAL A 221 3.145 -9.216 -2.434 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.836 -9.327 -3.214 1.00 0.00 C ATOM 1148 CG2 VAL A 221 2.950 -9.620 -0.971 1.00 0.00 C ATOM 0 H VAL A 221 4.691 -8.274 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 221 4.935 -10.338 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 221 3.457 -8.172 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.070 -8.724 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 221 1.987 -8.968 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.515 -10.368 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.161 -9.012 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.670 -10.672 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 221 3.880 -9.464 -0.423 1.00 0.00 H new