USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 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 198 CYS SG : rot 180:sc= -0.872 USER MOD Set 1.2: A 218 CYS SG : rot 160:sc= -0.858 USER MOD Single : A 149 SER OG : rot 149:sc= -0.445 USER MOD Single : A 155 GLN : amide:sc= -0.792 K(o=-0.79,f=-9.8!) USER MOD Single : A 164 TYR OH : rot -37:sc= -3.6! USER MOD Single : A 169 TYR OH : rot 0:sc= -2.49! USER MOD Single : A 170 LYS NZ :NH3+ 155:sc= 0.883 (180deg=0.00519) USER MOD Single : A 171 THR OG1 : rot 80:sc= -0.933 USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.34 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) USER MOD Single : A 193 ASN :FLIP amide:sc= -1.44 F(o=-3!,f=-1.4) USER MOD Single : A 195 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.3!) USER MOD Single : A 199 LYS NZ :NH3+ 153:sc= -0.602 (180deg=-1.59!) 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= -0.0682 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 94:sc= 0.165 USER MOD Single : A 219 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.386 4.694 7.024 1.00 0.00 N ATOM 16 CA SER A 149 -12.112 5.001 7.652 1.00 0.00 C ATOM 17 C SER A 149 -10.963 4.509 6.772 1.00 0.00 C ATOM 18 O SER A 149 -11.191 3.872 5.745 1.00 0.00 O ATOM 19 CB SER A 149 -12.021 4.375 9.046 1.00 0.00 C ATOM 20 OG SER A 149 -10.942 4.914 9.803 1.00 0.00 O ATOM 0 HA SER A 149 -12.037 6.083 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.957 4.541 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.895 3.296 8.952 1.00 0.00 H new ATOM 0 HG SER A 149 -11.175 4.907 10.755 1.00 0.00 H new ATOM 26 N ILE A 150 -9.751 4.821 7.206 1.00 0.00 N ATOM 27 CA ILE A 150 -8.565 4.419 6.471 1.00 0.00 C ATOM 28 C ILE A 150 -8.264 2.948 6.761 1.00 0.00 C ATOM 29 O ILE A 150 -7.533 2.299 6.014 1.00 0.00 O ATOM 30 CB ILE A 150 -7.397 5.358 6.780 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.846 6.821 6.750 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.220 5.099 5.839 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.068 7.296 5.312 1.00 0.00 C ATOM 0 H ILE A 150 -9.565 5.348 8.059 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.736 4.504 5.398 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.050 5.149 7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.768 6.934 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.094 7.446 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.404 5.780 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.880 4.070 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.535 5.262 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.386 8.338 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.138 7.204 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.838 6.684 4.841 1.00 0.00 H new ATOM 45 N LEU A 151 -8.844 2.462 7.850 1.00 0.00 N ATOM 46 CA LEU A 151 -8.648 1.078 8.249 1.00 0.00 C ATOM 47 C LEU A 151 -9.276 0.156 7.202 1.00 0.00 C ATOM 48 O LEU A 151 -8.767 -0.932 6.943 1.00 0.00 O ATOM 49 CB LEU A 151 -9.176 0.850 9.666 1.00 0.00 C ATOM 50 CG LEU A 151 -10.695 0.911 9.835 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.287 -0.492 9.981 1.00 0.00 C ATOM 52 CD2 LEU A 151 -11.081 1.821 11.002 1.00 0.00 C ATOM 0 H LEU A 151 -9.450 3.002 8.468 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.585 0.839 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.832 -0.126 10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.727 1.595 10.323 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.122 1.348 8.932 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.368 -0.420 10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.058 -1.078 9.091 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.857 -0.979 10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -12.166 1.846 11.100 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.642 1.437 11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.710 2.829 10.816 1.00 0.00 H new ATOM 64 N ASP A 152 -10.375 0.626 6.629 1.00 0.00 N ATOM 65 CA ASP A 152 -11.078 -0.142 5.617 1.00 0.00 C ATOM 66 C ASP A 152 -10.205 -0.249 4.365 1.00 0.00 C ATOM 67 O ASP A 152 -10.461 -1.080 3.494 1.00 0.00 O ATOM 68 CB ASP A 152 -12.391 0.538 5.221 1.00 0.00 C ATOM 69 CG ASP A 152 -13.460 -0.398 4.657 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.464 -0.714 3.458 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.328 -0.814 5.515 1.00 0.00 O ATOM 0 H ASP A 152 -10.795 1.529 6.847 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.293 -1.127 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.798 1.045 6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.175 1.307 4.479 1.00 0.00 H new ATOM 77 N ILE A 153 -9.192 0.604 4.314 1.00 0.00 N ATOM 78 CA ILE A 153 -8.280 0.615 3.183 1.00 0.00 C ATOM 79 C ILE A 153 -7.161 -0.399 3.426 1.00 0.00 C ATOM 80 O ILE A 153 -6.049 -0.025 3.795 1.00 0.00 O ATOM 81 CB ILE A 153 -7.775 2.036 2.916 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.921 2.949 2.470 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.623 2.028 1.910 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.050 2.956 3.502 1.00 0.00 C ATOM 0 H ILE A 153 -8.983 1.292 5.037 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.797 0.308 2.274 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.384 2.442 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.548 3.963 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.306 2.612 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.283 3.049 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.799 1.433 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.964 1.596 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.851 3.612 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.437 1.944 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.668 3.317 4.457 1.00 0.00 H new ATOM 96 N ARG A 154 -7.493 -1.662 3.209 1.00 0.00 N ATOM 97 CA ARG A 154 -6.530 -2.734 3.398 1.00 0.00 C ATOM 98 C ARG A 154 -6.420 -3.580 2.129 1.00 0.00 C ATOM 99 O ARG A 154 -7.238 -3.450 1.219 1.00 0.00 O ATOM 100 CB ARG A 154 -6.930 -3.632 4.571 1.00 0.00 C ATOM 101 CG ARG A 154 -8.313 -4.247 4.343 1.00 0.00 C ATOM 102 CD ARG A 154 -8.444 -5.588 5.068 1.00 0.00 C ATOM 103 NE ARG A 154 -7.955 -6.682 4.200 1.00 0.00 N ATOM 104 CZ ARG A 154 -7.753 -7.949 4.620 1.00 0.00 C ATOM 105 NH1 ARG A 154 -7.997 -8.293 5.903 1.00 0.00 N ATOM 106 NH2 ARG A 154 -7.314 -8.848 3.758 1.00 0.00 N ATOM 0 H ARG A 154 -8.417 -1.968 2.904 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.565 -2.278 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.192 -4.424 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -6.934 -3.052 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -9.083 -3.561 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -8.480 -4.389 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.873 -5.566 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -9.485 -5.765 5.338 1.00 0.00 H new ATOM 0 HE ARG A 154 -7.758 -6.465 3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.337 -7.593 6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -7.842 -9.253 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -7.133 -8.581 2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -7.156 -9.810 4.060 1.00 0.00 H new ATOM 120 N GLN A 155 -5.404 -4.430 2.110 1.00 0.00 N ATOM 121 CA GLN A 155 -5.176 -5.299 0.967 1.00 0.00 C ATOM 122 C GLN A 155 -6.143 -6.483 1.000 1.00 0.00 C ATOM 123 O GLN A 155 -5.871 -7.493 1.645 1.00 0.00 O ATOM 124 CB GLN A 155 -3.724 -5.777 0.923 1.00 0.00 C ATOM 125 CG GLN A 155 -2.929 -5.023 -0.146 1.00 0.00 C ATOM 126 CD GLN A 155 -1.669 -4.393 0.451 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.896 -5.030 1.148 1.00 0.00 O ATOM 128 NE2 GLN A 155 -1.506 -3.110 0.140 1.00 0.00 N ATOM 0 H GLN A 155 -4.729 -4.536 2.868 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.363 -4.728 0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.259 -5.630 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.696 -6.847 0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.653 -5.707 -0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.553 -4.247 -0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -2.192 -2.637 -0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -0.695 -2.599 0.490 1.00 0.00 H new ATOM 196 N PRO A 160 -6.236 -5.568 -5.546 1.00 0.00 N ATOM 197 CA PRO A 160 -4.831 -5.318 -5.821 1.00 0.00 C ATOM 198 C PRO A 160 -4.331 -4.092 -5.056 1.00 0.00 C ATOM 199 O PRO A 160 -5.087 -3.470 -4.311 1.00 0.00 O ATOM 200 CB PRO A 160 -4.749 -5.152 -7.329 1.00 0.00 C ATOM 201 CG PRO A 160 -6.164 -4.852 -7.793 1.00 0.00 C ATOM 202 CD PRO A 160 -7.110 -5.184 -6.649 1.00 0.00 C ATOM 0 HA PRO A 160 -4.186 -6.131 -5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.070 -4.342 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.367 -6.057 -7.801 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.259 -3.803 -8.075 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.410 -5.443 -8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.728 -4.326 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.788 -5.994 -6.918 1.00 0.00 H new ATOM 210 N PHE A 161 -3.061 -3.779 -5.267 1.00 0.00 N ATOM 211 CA PHE A 161 -2.451 -2.636 -4.607 1.00 0.00 C ATOM 212 C PHE A 161 -2.999 -1.322 -5.169 1.00 0.00 C ATOM 213 O PHE A 161 -3.113 -0.335 -4.444 1.00 0.00 O ATOM 214 CB PHE A 161 -0.949 -2.709 -4.885 1.00 0.00 C ATOM 215 CG PHE A 161 -0.104 -1.817 -3.973 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.197 -1.945 -2.622 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.740 -0.897 -4.513 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.588 -1.118 -1.776 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.524 -0.070 -3.666 1.00 0.00 C ATOM 220 CZ PHE A 161 1.432 -0.198 -2.316 1.00 0.00 C ATOM 0 H PHE A 161 -2.437 -4.297 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.669 -2.662 -3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.619 -3.742 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.768 -2.427 -5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.867 -2.675 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.814 -0.796 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.515 -1.219 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.194 0.661 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.029 0.431 -1.672 1.00 0.00 H new ATOM 230 N ARG A 162 -3.325 -1.354 -6.452 1.00 0.00 N ATOM 231 CA ARG A 162 -3.858 -0.177 -7.117 1.00 0.00 C ATOM 232 C ARG A 162 -5.166 0.259 -6.456 1.00 0.00 C ATOM 233 O ARG A 162 -5.371 1.444 -6.201 1.00 0.00 O ATOM 234 CB ARG A 162 -4.110 -0.452 -8.602 1.00 0.00 C ATOM 235 CG ARG A 162 -3.724 0.758 -9.455 1.00 0.00 C ATOM 236 CD ARG A 162 -4.039 0.509 -10.933 1.00 0.00 C ATOM 237 NE ARG A 162 -2.898 0.933 -11.773 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.832 0.752 -13.108 1.00 0.00 C ATOM 239 NH1 ARG A 162 -3.844 0.150 -13.769 1.00 0.00 N ATOM 240 NH2 ARG A 162 -1.762 1.171 -13.760 1.00 0.00 N ATOM 0 H ARG A 162 -3.231 -2.176 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 162 -3.119 0.619 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.535 -1.323 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.162 -0.691 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -4.263 1.639 -9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.661 0.967 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.247 -0.548 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.936 1.058 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.111 1.391 -11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.666 -0.172 -13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.786 0.017 -14.779 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -1.001 1.624 -13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.697 1.042 -14.770 1.00 0.00 H new ATOM 254 N ASP A 163 -6.018 -0.722 -6.199 1.00 0.00 N ATOM 255 CA ASP A 163 -7.302 -0.455 -5.572 1.00 0.00 C ATOM 256 C ASP A 163 -7.074 0.005 -4.131 1.00 0.00 C ATOM 257 O ASP A 163 -7.831 0.823 -3.610 1.00 0.00 O ATOM 258 CB ASP A 163 -8.170 -1.714 -5.536 1.00 0.00 C ATOM 259 CG ASP A 163 -9.009 -1.956 -6.792 1.00 0.00 C ATOM 260 OD1 ASP A 163 -10.167 -2.395 -6.711 1.00 0.00 O ATOM 261 OD2 ASP A 163 -8.420 -1.675 -7.905 1.00 0.00 O ATOM 0 H ASP A 163 -5.845 -1.704 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.809 0.315 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.525 -2.578 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.838 -1.652 -4.677 1.00 0.00 H new ATOM 267 N TYR A 164 -6.029 -0.542 -3.525 1.00 0.00 N ATOM 268 CA TYR A 164 -5.693 -0.198 -2.155 1.00 0.00 C ATOM 269 C TYR A 164 -5.220 1.253 -2.054 1.00 0.00 C ATOM 270 O TYR A 164 -5.592 1.969 -1.125 1.00 0.00 O ATOM 271 CB TYR A 164 -4.545 -1.127 -1.756 1.00 0.00 C ATOM 272 CG TYR A 164 -4.052 -0.927 -0.323 1.00 0.00 C ATOM 273 CD1 TYR A 164 -3.449 0.260 0.040 1.00 0.00 C ATOM 274 CD2 TYR A 164 -4.210 -1.933 0.608 1.00 0.00 C ATOM 275 CE1 TYR A 164 -2.985 0.448 1.391 1.00 0.00 C ATOM 276 CE2 TYR A 164 -3.746 -1.745 1.958 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.156 -0.563 2.284 1.00 0.00 C ATOM 278 OH TYR A 164 -2.717 -0.386 3.557 1.00 0.00 O ATOM 0 H TYR A 164 -5.404 -1.221 -3.959 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.563 -0.308 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.869 -2.161 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.711 -0.972 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -3.325 1.048 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -4.682 -2.862 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -2.512 1.372 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -3.864 -2.525 2.696 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.880 0.124 3.547 1.00 0.00 H new ATOM 288 N VAL A 165 -4.406 1.644 -3.023 1.00 0.00 N ATOM 289 CA VAL A 165 -3.876 2.998 -3.054 1.00 0.00 C ATOM 290 C VAL A 165 -5.017 3.979 -3.329 1.00 0.00 C ATOM 291 O VAL A 165 -5.127 5.009 -2.665 1.00 0.00 O ATOM 292 CB VAL A 165 -2.745 3.093 -4.080 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.600 4.523 -4.605 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.426 2.589 -3.491 1.00 0.00 C ATOM 0 H VAL A 165 -4.100 1.048 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.444 3.263 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 165 -3.002 2.451 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.789 4.563 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.531 4.832 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.377 5.194 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.639 2.668 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.161 3.192 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.537 1.548 -3.189 1.00 0.00 H new ATOM 304 N ASP A 166 -5.836 3.627 -4.308 1.00 0.00 N ATOM 305 CA ASP A 166 -6.964 4.465 -4.678 1.00 0.00 C ATOM 306 C ASP A 166 -7.878 4.647 -3.465 1.00 0.00 C ATOM 307 O ASP A 166 -8.343 5.753 -3.195 1.00 0.00 O ATOM 308 CB ASP A 166 -7.785 3.820 -5.798 1.00 0.00 C ATOM 309 CG ASP A 166 -8.645 4.791 -6.609 1.00 0.00 C ATOM 310 OD1 ASP A 166 -9.764 4.455 -7.028 1.00 0.00 O ATOM 311 OD2 ASP A 166 -8.117 5.950 -6.811 1.00 0.00 O ATOM 0 H ASP A 166 -5.741 2.773 -4.857 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.574 5.423 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.105 3.306 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.434 3.061 -5.362 1.00 0.00 H new ATOM 317 N ARG A 167 -8.110 3.544 -2.769 1.00 0.00 N ATOM 318 CA ARG A 167 -8.961 3.569 -1.590 1.00 0.00 C ATOM 319 C ARG A 167 -8.296 4.372 -0.472 1.00 0.00 C ATOM 320 O ARG A 167 -8.946 5.179 0.191 1.00 0.00 O ATOM 321 CB ARG A 167 -9.248 2.152 -1.090 1.00 0.00 C ATOM 322 CG ARG A 167 -10.717 1.999 -0.691 1.00 0.00 C ATOM 323 CD ARG A 167 -11.346 0.780 -1.370 1.00 0.00 C ATOM 324 NE ARG A 167 -11.542 1.050 -2.812 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.144 0.194 -3.667 1.00 0.00 C ATOM 326 NH1 ARG A 167 -12.614 -0.993 -3.231 1.00 0.00 N ATOM 327 NH2 ARG A 167 -12.265 0.537 -4.937 1.00 0.00 N ATOM 0 H ARG A 167 -7.724 2.628 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.902 4.042 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -9.002 1.431 -1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.610 1.928 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.795 1.897 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.268 2.898 -0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.705 -0.091 -1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -12.302 0.546 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 167 -11.202 1.937 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -12.516 -1.251 -2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -13.067 -1.633 -3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -11.907 1.436 -5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -12.717 -0.097 -5.596 1.00 0.00 H new ATOM 341 N PHE A 168 -7.006 4.123 -0.294 1.00 0.00 N ATOM 342 CA PHE A 168 -6.245 4.814 0.733 1.00 0.00 C ATOM 343 C PHE A 168 -6.293 6.328 0.527 1.00 0.00 C ATOM 344 O PHE A 168 -6.554 7.078 1.466 1.00 0.00 O ATOM 345 CB PHE A 168 -4.796 4.340 0.611 1.00 0.00 C ATOM 346 CG PHE A 168 -3.871 4.877 1.705 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.272 6.089 1.555 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.646 4.142 2.827 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.413 6.587 2.570 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.787 4.640 3.842 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.190 5.853 3.692 1.00 0.00 C ATOM 0 H PHE A 168 -6.469 3.452 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.663 4.595 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.778 3.250 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.406 4.643 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.450 6.673 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.121 3.179 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.937 7.549 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.608 4.056 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.538 6.233 4.465 1.00 0.00 H new ATOM 361 N TYR A 169 -6.038 6.734 -0.709 1.00 0.00 N ATOM 362 CA TYR A 169 -6.050 8.146 -1.050 1.00 0.00 C ATOM 363 C TYR A 169 -7.482 8.675 -1.149 1.00 0.00 C ATOM 364 O TYR A 169 -7.713 9.877 -1.027 1.00 0.00 O ATOM 365 CB TYR A 169 -5.382 8.253 -2.424 1.00 0.00 C ATOM 366 CG TYR A 169 -3.857 8.157 -2.383 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.248 7.101 -1.734 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.088 9.125 -2.998 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.812 7.012 -1.697 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.652 9.035 -2.959 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.085 7.983 -2.312 1.00 0.00 C ATOM 372 OH TYR A 169 0.273 7.898 -2.276 1.00 0.00 O ATOM 0 H TYR A 169 -5.822 6.109 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.534 8.730 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.768 7.462 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.664 9.202 -2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.849 6.342 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.564 9.949 -3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.323 6.192 -1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.039 9.787 -3.433 1.00 0.00 H new ATOM 0 HH TYR A 169 0.538 7.096 -1.778 1.00 0.00 H new ATOM 382 N LYS A 170 -8.406 7.751 -1.369 1.00 0.00 N ATOM 383 CA LYS A 170 -9.809 8.109 -1.486 1.00 0.00 C ATOM 384 C LYS A 170 -10.356 8.468 -0.103 1.00 0.00 C ATOM 385 O LYS A 170 -11.070 9.459 0.048 1.00 0.00 O ATOM 386 CB LYS A 170 -10.590 6.996 -2.187 1.00 0.00 C ATOM 387 CG LYS A 170 -10.615 7.212 -3.700 1.00 0.00 C ATOM 388 CD LYS A 170 -10.961 5.913 -4.434 1.00 0.00 C ATOM 389 CE LYS A 170 -11.462 6.202 -5.851 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.221 5.046 -6.377 1.00 0.00 N ATOM 0 H LYS A 170 -8.210 6.755 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.926 8.992 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.136 6.031 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.610 6.966 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.347 7.981 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.644 7.576 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.081 5.271 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.725 5.369 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.096 7.089 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -10.617 6.418 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -12.889 5.371 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.562 4.359 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.747 4.594 -5.602 1.00 0.00 H new ATOM 404 N THR A 171 -10.000 7.643 0.872 1.00 0.00 N ATOM 405 CA THR A 171 -10.446 7.862 2.237 1.00 0.00 C ATOM 406 C THR A 171 -9.686 9.032 2.866 1.00 0.00 C ATOM 407 O THR A 171 -10.255 9.802 3.638 1.00 0.00 O ATOM 408 CB THR A 171 -10.281 6.547 3.003 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.115 5.629 2.302 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.891 6.609 4.405 1.00 0.00 C ATOM 0 H THR A 171 -9.408 6.822 0.743 1.00 0.00 H new ATOM 0 HA THR A 171 -11.498 8.145 2.270 1.00 0.00 H new ATOM 0 HB THR A 171 -9.222 6.299 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.648 5.307 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.748 5.652 4.907 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.403 7.397 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.957 6.823 4.329 1.00 0.00 H new ATOM 418 N LEU A 172 -8.413 9.127 2.511 1.00 0.00 N ATOM 419 CA LEU A 172 -7.571 10.192 3.030 1.00 0.00 C ATOM 420 C LEU A 172 -8.197 11.545 2.692 1.00 0.00 C ATOM 421 O LEU A 172 -8.296 12.419 3.552 1.00 0.00 O ATOM 422 CB LEU A 172 -6.136 10.034 2.523 1.00 0.00 C ATOM 423 CG LEU A 172 -5.726 10.957 1.373 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.700 12.418 1.827 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.390 10.522 0.770 1.00 0.00 C ATOM 0 H LEU A 172 -7.945 8.485 1.871 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.510 10.133 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.456 10.202 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.997 9.002 2.202 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.476 10.876 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.406 13.053 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.692 12.709 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.984 12.534 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.122 11.195 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.616 10.556 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.477 9.505 0.387 1.00 0.00 H new ATOM 437 N ARG A 173 -8.605 11.675 1.440 1.00 0.00 N ATOM 438 CA ARG A 173 -9.220 12.909 0.977 1.00 0.00 C ATOM 439 C ARG A 173 -10.671 12.990 1.456 1.00 0.00 C ATOM 440 O ARG A 173 -11.375 13.952 1.153 1.00 0.00 O ATOM 441 CB ARG A 173 -9.190 13.001 -0.551 1.00 0.00 C ATOM 442 CG ARG A 173 -8.018 13.864 -1.024 1.00 0.00 C ATOM 443 CD ARG A 173 -7.604 13.493 -2.448 1.00 0.00 C ATOM 444 NE ARG A 173 -6.875 14.618 -3.074 1.00 0.00 N ATOM 445 CZ ARG A 173 -5.593 14.935 -2.797 1.00 0.00 C ATOM 446 NH1 ARG A 173 -4.885 14.214 -1.902 1.00 0.00 N ATOM 447 NH2 ARG A 173 -5.040 15.963 -3.415 1.00 0.00 N ATOM 0 H ARG A 173 -8.523 10.947 0.730 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.649 13.740 1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.106 12.002 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.127 13.424 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.298 14.917 -0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.171 13.735 -0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -6.973 12.604 -2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.486 13.247 -3.039 1.00 0.00 H new ATOM 0 HE ARG A 173 -7.372 15.189 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -5.319 13.422 -1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -3.916 14.462 -1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.581 16.504 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -4.072 16.216 -3.217 1.00 0.00 H new ATOM 461 N ALA A 174 -11.075 11.968 2.196 1.00 0.00 N ATOM 462 CA ALA A 174 -12.429 11.912 2.721 1.00 0.00 C ATOM 463 C ALA A 174 -12.392 12.105 4.237 1.00 0.00 C ATOM 464 O ALA A 174 -13.431 12.082 4.896 1.00 0.00 O ATOM 465 CB ALA A 174 -13.078 10.587 2.316 1.00 0.00 C ATOM 0 H ALA A 174 -10.488 11.172 2.445 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.037 12.714 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.094 10.544 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.106 10.513 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.497 9.758 2.721 1.00 0.00 H new ATOM 630 N THR A 186 1.674 9.053 5.288 1.00 0.00 N ATOM 631 CA THR A 186 0.701 8.346 4.473 1.00 0.00 C ATOM 632 C THR A 186 1.274 7.012 3.993 1.00 0.00 C ATOM 633 O THR A 186 0.528 6.065 3.745 1.00 0.00 O ATOM 634 CB THR A 186 0.279 9.273 3.331 1.00 0.00 C ATOM 635 OG1 THR A 186 -1.140 9.338 3.441 1.00 0.00 O ATOM 636 CG2 THR A 186 0.519 8.652 1.954 1.00 0.00 C ATOM 0 HA THR A 186 -0.188 8.092 5.050 1.00 0.00 H new ATOM 0 HB THR A 186 0.827 10.212 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.496 9.921 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.203 9.351 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.580 8.433 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.054 7.729 1.866 1.00 0.00 H new ATOM 644 N GLU A 187 2.593 6.979 3.874 1.00 0.00 N ATOM 645 CA GLU A 187 3.275 5.775 3.427 1.00 0.00 C ATOM 646 C GLU A 187 3.335 4.748 4.561 1.00 0.00 C ATOM 647 O GLU A 187 3.273 3.546 4.316 1.00 0.00 O ATOM 648 CB GLU A 187 4.676 6.102 2.907 1.00 0.00 C ATOM 649 CG GLU A 187 5.445 6.969 3.906 1.00 0.00 C ATOM 650 CD GLU A 187 5.378 8.446 3.512 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.147 8.764 2.336 1.00 0.00 O ATOM 652 OE2 GLU A 187 5.578 9.278 4.478 1.00 0.00 O ATOM 0 H GLU A 187 3.208 7.766 4.079 1.00 0.00 H new ATOM 0 HA GLU A 187 2.709 5.343 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 187 5.225 5.178 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.601 6.622 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.029 6.836 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.485 6.647 3.948 1.00 0.00 H new ATOM 660 N THR A 188 3.456 5.261 5.775 1.00 0.00 N ATOM 661 CA THR A 188 3.525 4.404 6.947 1.00 0.00 C ATOM 662 C THR A 188 2.167 3.752 7.212 1.00 0.00 C ATOM 663 O THR A 188 2.101 2.601 7.640 1.00 0.00 O ATOM 664 CB THR A 188 4.035 5.245 8.119 1.00 0.00 C ATOM 665 OG1 THR A 188 4.818 4.334 8.884 1.00 0.00 O ATOM 666 CG2 THR A 188 2.913 5.663 9.072 1.00 0.00 C ATOM 0 H THR A 188 3.508 6.260 5.974 1.00 0.00 H new ATOM 0 HA THR A 188 4.221 3.579 6.793 1.00 0.00 H new ATOM 0 HB THR A 188 4.536 6.134 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.189 4.797 9.664 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.329 6.257 9.885 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.177 6.256 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.433 4.774 9.481 1.00 0.00 H new ATOM 674 N LEU A 189 1.117 4.516 6.944 1.00 0.00 N ATOM 675 CA LEU A 189 -0.236 4.027 7.149 1.00 0.00 C ATOM 676 C LEU A 189 -0.583 3.025 6.046 1.00 0.00 C ATOM 677 O LEU A 189 -1.108 1.948 6.324 1.00 0.00 O ATOM 678 CB LEU A 189 -1.218 5.195 7.249 1.00 0.00 C ATOM 679 CG LEU A 189 -1.677 5.565 8.662 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.475 6.871 8.654 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.463 4.417 9.300 1.00 0.00 C ATOM 0 H LEU A 189 1.176 5.470 6.587 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.310 3.496 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.756 6.072 6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.099 4.956 6.653 1.00 0.00 H new ATOM 0 HG LEU A 189 -0.793 5.731 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -2.789 7.112 9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -1.851 7.676 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.354 6.756 8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.778 4.705 10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.341 4.196 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.830 3.531 9.358 1.00 0.00 H new ATOM 693 N LEU A 190 -0.276 3.416 4.817 1.00 0.00 N ATOM 694 CA LEU A 190 -0.549 2.565 3.671 1.00 0.00 C ATOM 695 C LEU A 190 0.163 1.224 3.857 1.00 0.00 C ATOM 696 O LEU A 190 -0.406 0.171 3.568 1.00 0.00 O ATOM 697 CB LEU A 190 -0.181 3.283 2.372 1.00 0.00 C ATOM 698 CG LEU A 190 -0.237 2.436 1.099 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.384 2.886 0.191 1.00 0.00 C ATOM 700 CD2 LEU A 190 1.109 2.450 0.371 1.00 0.00 C ATOM 0 H LEU A 190 0.159 4.310 4.590 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.616 2.352 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.851 4.134 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.828 3.683 2.474 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.438 1.403 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.401 2.268 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.330 2.782 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.238 3.929 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 190 1.042 1.840 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.364 3.474 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.881 2.046 1.026 1.00 0.00 H new ATOM 712 N VAL A 191 1.394 1.305 4.336 1.00 0.00 N ATOM 713 CA VAL A 191 2.190 0.110 4.562 1.00 0.00 C ATOM 714 C VAL A 191 1.652 -0.629 5.790 1.00 0.00 C ATOM 715 O VAL A 191 1.445 -1.842 5.746 1.00 0.00 O ATOM 716 CB VAL A 191 3.669 0.482 4.689 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.471 -0.663 5.312 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.252 0.883 3.332 1.00 0.00 C ATOM 0 H VAL A 191 1.861 2.180 4.574 1.00 0.00 H new ATOM 0 HA VAL A 191 2.112 -0.568 3.712 1.00 0.00 H new ATOM 0 HB VAL A 191 3.742 1.343 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.519 -0.373 5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.080 -0.883 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.387 -1.550 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.304 1.143 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.160 0.049 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.708 1.743 2.942 1.00 0.00 H new ATOM 728 N GLN A 192 1.442 0.130 6.854 1.00 0.00 N ATOM 729 CA GLN A 192 0.933 -0.438 8.090 1.00 0.00 C ATOM 730 C GLN A 192 -0.449 -1.054 7.862 1.00 0.00 C ATOM 731 O GLN A 192 -0.713 -2.174 8.295 1.00 0.00 O ATOM 732 CB GLN A 192 0.888 0.615 9.200 1.00 0.00 C ATOM 733 CG GLN A 192 2.263 0.789 9.847 1.00 0.00 C ATOM 734 CD GLN A 192 2.182 0.608 11.364 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.970 1.545 12.115 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.362 -0.644 11.771 1.00 0.00 N ATOM 0 H GLN A 192 1.615 1.135 6.886 1.00 0.00 H new ATOM 0 HA GLN A 192 1.612 -1.228 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.552 1.567 8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.161 0.320 9.957 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.961 0.064 9.427 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.655 1.779 9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 192 2.536 -1.382 11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 192 2.327 -0.867 12.766 1.00 0.00 H new ATOM 745 N ASN A 193 -1.295 -0.294 7.183 1.00 0.00 N ATOM 746 CA ASN A 193 -2.644 -0.750 6.890 1.00 0.00 C ATOM 747 C ASN A 193 -2.599 -1.755 5.737 1.00 0.00 C ATOM 748 O ASN A 193 -3.634 -2.267 5.315 1.00 0.00 O ATOM 749 CB ASN A 193 -3.541 0.414 6.468 1.00 0.00 C ATOM 750 CG ASN A 193 -4.983 0.191 6.928 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.104 -0.053 8.229 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.922 0.237 6.153 1.00 0.00 N flip ATOM 0 H ASN A 193 -1.073 0.636 6.827 1.00 0.00 H new ATOM 0 HA ASN A 193 -3.048 -1.206 7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.160 1.343 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.514 0.524 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -5.759 0.429 5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.871 0.083 6.492 1.00 0.00 H new ATOM 759 N ALA A 194 -1.389 -2.007 5.260 1.00 0.00 N ATOM 760 CA ALA A 194 -1.196 -2.941 4.165 1.00 0.00 C ATOM 761 C ALA A 194 -0.804 -4.308 4.728 1.00 0.00 C ATOM 762 O ALA A 194 -0.400 -4.415 5.887 1.00 0.00 O ATOM 763 CB ALA A 194 -0.145 -2.387 3.200 1.00 0.00 C ATOM 0 H ALA A 194 -0.532 -1.580 5.612 1.00 0.00 H new ATOM 0 HA ALA A 194 -2.121 -3.068 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -0.000 -3.088 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.483 -1.429 2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.798 -2.249 3.729 1.00 0.00 H new ATOM 769 N ASN A 195 -0.938 -5.322 3.885 1.00 0.00 N ATOM 770 CA ASN A 195 -0.603 -6.678 4.285 1.00 0.00 C ATOM 771 C ASN A 195 0.734 -6.670 5.028 1.00 0.00 C ATOM 772 O ASN A 195 1.445 -5.667 5.026 1.00 0.00 O ATOM 773 CB ASN A 195 -0.462 -7.593 3.067 1.00 0.00 C ATOM 774 CG ASN A 195 -1.543 -8.675 3.065 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.420 -8.714 3.913 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.434 -9.547 2.068 1.00 0.00 N ATOM 0 H ASN A 195 -1.274 -5.231 2.926 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.405 -7.049 4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.533 -7.002 2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.523 -8.059 3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.109 -10.307 1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.675 -9.457 1.392 1.00 0.00 H new ATOM 783 N PRO A 196 1.043 -7.832 5.665 1.00 0.00 N ATOM 784 CA PRO A 196 2.283 -7.969 6.412 1.00 0.00 C ATOM 785 C PRO A 196 3.477 -8.126 5.468 1.00 0.00 C ATOM 786 O PRO A 196 4.457 -7.391 5.572 1.00 0.00 O ATOM 787 CB PRO A 196 2.071 -9.177 7.309 1.00 0.00 C ATOM 788 CG PRO A 196 0.910 -9.947 6.702 1.00 0.00 C ATOM 789 CD PRO A 196 0.227 -9.040 5.691 1.00 0.00 C ATOM 0 HA PRO A 196 2.516 -7.085 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.969 -9.794 7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.845 -8.870 8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.266 -10.857 6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.207 -10.252 7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.181 -9.508 4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.798 -8.819 5.987 1.00 0.00 H new ATOM 797 N ASP A 197 3.355 -9.091 4.567 1.00 0.00 N ATOM 798 CA ASP A 197 4.412 -9.355 3.605 1.00 0.00 C ATOM 799 C ASP A 197 4.799 -8.050 2.908 1.00 0.00 C ATOM 800 O ASP A 197 5.976 -7.701 2.844 1.00 0.00 O ATOM 801 CB ASP A 197 3.947 -10.344 2.534 1.00 0.00 C ATOM 802 CG ASP A 197 4.241 -11.814 2.840 1.00 0.00 C ATOM 803 OD1 ASP A 197 3.957 -12.306 3.943 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.793 -12.471 1.877 1.00 0.00 O ATOM 0 H ASP A 197 2.540 -9.699 4.483 1.00 0.00 H new ATOM 0 HA ASP A 197 5.260 -9.779 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.873 -10.226 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.423 -10.083 1.589 1.00 0.00 H new ATOM 810 N CYS A 198 3.784 -7.363 2.403 1.00 0.00 N ATOM 811 CA CYS A 198 4.003 -6.102 1.713 1.00 0.00 C ATOM 812 C CYS A 198 4.793 -5.178 2.641 1.00 0.00 C ATOM 813 O CYS A 198 5.654 -4.425 2.187 1.00 0.00 O ATOM 814 CB CYS A 198 2.687 -5.468 1.260 1.00 0.00 C ATOM 815 SG CYS A 198 3.015 -4.145 0.043 1.00 0.00 S ATOM 0 H CYS A 198 2.808 -7.655 2.458 1.00 0.00 H new ATOM 0 HA CYS A 198 4.576 -6.278 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.041 -6.227 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.156 -5.059 2.120 1.00 0.00 H new ATOM 0 HG CYS A 198 1.890 -3.615 -0.336 1.00 0.00 H new ATOM 821 N LYS A 199 4.471 -5.263 3.924 1.00 0.00 N ATOM 822 CA LYS A 199 5.140 -4.443 4.918 1.00 0.00 C ATOM 823 C LYS A 199 6.644 -4.719 4.875 1.00 0.00 C ATOM 824 O LYS A 199 7.450 -3.792 4.923 1.00 0.00 O ATOM 825 CB LYS A 199 4.515 -4.659 6.299 1.00 0.00 C ATOM 826 CG LYS A 199 4.849 -3.501 7.241 1.00 0.00 C ATOM 827 CD LYS A 199 5.708 -3.977 8.413 1.00 0.00 C ATOM 828 CE LYS A 199 4.851 -4.675 9.471 1.00 0.00 C ATOM 829 NZ LYS A 199 4.666 -6.103 9.130 1.00 0.00 N ATOM 0 H LYS A 199 3.756 -5.887 4.297 1.00 0.00 H new ATOM 0 HA LYS A 199 5.004 -3.385 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.433 -4.752 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.879 -5.594 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.377 -2.722 6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 199 3.928 -3.057 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 199 6.476 -4.661 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 199 6.224 -3.127 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.326 -4.587 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 199 3.881 -4.184 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.508 -6.650 10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 3.843 -6.206 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 5.516 -6.458 8.648 1.00 0.00 H new ATOM 843 N THR A 200 6.975 -5.999 4.783 1.00 0.00 N ATOM 844 CA THR A 200 8.369 -6.408 4.732 1.00 0.00 C ATOM 845 C THR A 200 9.030 -5.892 3.452 1.00 0.00 C ATOM 846 O THR A 200 10.169 -5.428 3.480 1.00 0.00 O ATOM 847 CB THR A 200 8.420 -7.930 4.871 1.00 0.00 C ATOM 848 OG1 THR A 200 7.804 -8.186 6.130 1.00 0.00 O ATOM 849 CG2 THR A 200 9.846 -8.457 5.041 1.00 0.00 C ATOM 0 H THR A 200 6.303 -6.765 4.743 1.00 0.00 H new ATOM 0 HA THR A 200 8.939 -5.973 5.553 1.00 0.00 H new ATOM 0 HB THR A 200 7.966 -8.388 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.794 -9.151 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.824 -9.543 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.442 -8.180 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.289 -8.024 5.938 1.00 0.00 H new ATOM 857 N ILE A 201 8.286 -5.991 2.359 1.00 0.00 N ATOM 858 CA ILE A 201 8.786 -5.540 1.071 1.00 0.00 C ATOM 859 C ILE A 201 9.023 -4.030 1.120 1.00 0.00 C ATOM 860 O ILE A 201 10.015 -3.534 0.588 1.00 0.00 O ATOM 861 CB ILE A 201 7.843 -5.979 -0.052 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.251 -7.360 0.236 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.548 -5.928 -1.408 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.044 -8.149 -1.059 1.00 0.00 C ATOM 0 H ILE A 201 7.342 -6.377 2.339 1.00 0.00 H new ATOM 0 HA ILE A 201 9.747 -6.006 0.851 1.00 0.00 H new ATOM 0 HB ILE A 201 7.011 -5.276 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.915 -7.913 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.299 -7.250 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.857 -6.244 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.880 -4.909 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.411 -6.594 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.622 -9.127 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.361 -7.605 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.002 -8.278 -1.564 1.00 0.00 H new ATOM 876 N LEU A 202 8.094 -3.338 1.766 1.00 0.00 N ATOM 877 CA LEU A 202 8.190 -1.894 1.893 1.00 0.00 C ATOM 878 C LEU A 202 9.347 -1.544 2.830 1.00 0.00 C ATOM 879 O LEU A 202 9.988 -0.506 2.670 1.00 0.00 O ATOM 880 CB LEU A 202 6.847 -1.305 2.326 1.00 0.00 C ATOM 881 CG LEU A 202 5.705 -1.423 1.316 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.384 -1.751 2.016 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.599 -0.160 0.458 1.00 0.00 C ATOM 0 H LEU A 202 7.272 -3.751 2.206 1.00 0.00 H new ATOM 0 HA LEU A 202 8.414 -1.440 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.540 -1.794 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 202 6.993 -0.250 2.557 1.00 0.00 H new ATOM 0 HG LEU A 202 5.929 -2.252 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.589 -1.829 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.479 -2.698 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.142 -0.960 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.779 -0.270 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 202 5.410 0.701 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 202 6.532 -0.010 -0.086 1.00 0.00 H new ATOM 895 N LYS A 203 9.580 -2.429 3.788 1.00 0.00 N ATOM 896 CA LYS A 203 10.647 -2.226 4.752 1.00 0.00 C ATOM 897 C LYS A 203 11.997 -2.307 4.035 1.00 0.00 C ATOM 898 O LYS A 203 12.910 -1.540 4.333 1.00 0.00 O ATOM 899 CB LYS A 203 10.511 -3.208 5.918 1.00 0.00 C ATOM 900 CG LYS A 203 10.202 -2.470 7.222 1.00 0.00 C ATOM 901 CD LYS A 203 10.257 -3.423 8.417 1.00 0.00 C ATOM 902 CE LYS A 203 11.535 -3.209 9.230 1.00 0.00 C ATOM 903 NZ LYS A 203 11.666 -4.252 10.272 1.00 0.00 N ATOM 0 H LYS A 203 9.047 -3.289 3.917 1.00 0.00 H new ATOM 0 HA LYS A 203 10.577 -1.232 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 203 9.718 -3.924 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.434 -3.778 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.918 -1.661 7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.214 -2.014 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.386 -3.265 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.213 -4.454 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 203 12.402 -3.235 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 203 11.517 -2.223 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 12.539 -4.093 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 10.847 -4.208 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.704 -5.189 9.822 1.00 0.00 H new ATOM 917 N ALA A 204 12.080 -3.246 3.102 1.00 0.00 N ATOM 918 CA ALA A 204 13.303 -3.437 2.339 1.00 0.00 C ATOM 919 C ALA A 204 13.447 -2.304 1.322 1.00 0.00 C ATOM 920 O ALA A 204 14.560 -1.899 0.991 1.00 0.00 O ATOM 921 CB ALA A 204 13.281 -4.816 1.679 1.00 0.00 C ATOM 0 H ALA A 204 11.321 -3.882 2.858 1.00 0.00 H new ATOM 0 HA ALA A 204 14.174 -3.403 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.197 -4.960 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.208 -5.586 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.422 -4.886 1.012 1.00 0.00 H new ATOM 927 N LEU A 205 12.304 -1.824 0.853 1.00 0.00 N ATOM 928 CA LEU A 205 12.289 -0.746 -0.121 1.00 0.00 C ATOM 929 C LEU A 205 13.140 0.417 0.398 1.00 0.00 C ATOM 930 O LEU A 205 14.327 0.505 0.090 1.00 0.00 O ATOM 931 CB LEU A 205 10.850 -0.350 -0.460 1.00 0.00 C ATOM 932 CG LEU A 205 10.398 -0.636 -1.893 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.119 -2.127 -2.095 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.191 0.228 -2.270 1.00 0.00 C ATOM 0 H LEU A 205 11.382 -2.162 1.130 1.00 0.00 H new ATOM 0 HA LEU A 205 12.735 -1.075 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.180 -0.872 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.733 0.717 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 205 11.212 -0.367 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.799 -2.301 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.026 -2.697 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.332 -2.446 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 205 8.890 0.005 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.364 0.013 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 205 9.459 1.282 -2.192 1.00 0.00 H new ATOM 946 N GLY A 206 12.497 1.276 1.175 1.00 0.00 N ATOM 947 CA GLY A 206 13.182 2.428 1.739 1.00 0.00 C ATOM 948 C GLY A 206 12.200 3.337 2.482 1.00 0.00 C ATOM 949 O GLY A 206 11.005 3.336 2.190 1.00 0.00 O ATOM 0 H GLY A 206 11.512 1.198 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.963 2.093 2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.673 2.989 0.944 1.00 0.00 H new ATOM 953 N PRO A 207 12.756 4.112 3.451 1.00 0.00 N ATOM 954 CA PRO A 207 11.944 5.023 4.239 1.00 0.00 C ATOM 955 C PRO A 207 11.561 6.261 3.423 1.00 0.00 C ATOM 956 O PRO A 207 11.864 7.385 3.818 1.00 0.00 O ATOM 957 CB PRO A 207 12.792 5.354 5.457 1.00 0.00 C ATOM 958 CG PRO A 207 14.219 4.989 5.083 1.00 0.00 C ATOM 959 CD PRO A 207 14.168 4.139 3.824 1.00 0.00 C ATOM 0 HA PRO A 207 10.992 4.585 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.713 6.411 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.460 4.790 6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.811 5.888 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.698 4.441 5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.779 4.570 3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.548 3.134 4.009 1.00 0.00 H new ATOM 967 N GLY A 208 10.902 6.009 2.302 1.00 0.00 N ATOM 968 CA GLY A 208 10.475 7.088 1.428 1.00 0.00 C ATOM 969 C GLY A 208 10.421 6.625 -0.030 1.00 0.00 C ATOM 970 O GLY A 208 10.891 7.324 -0.925 1.00 0.00 O ATOM 0 H GLY A 208 10.653 5.074 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.492 7.443 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.162 7.929 1.521 1.00 0.00 H new ATOM 974 N ALA A 209 9.844 5.447 -0.222 1.00 0.00 N ATOM 975 CA ALA A 209 9.723 4.882 -1.555 1.00 0.00 C ATOM 976 C ALA A 209 8.544 5.537 -2.277 1.00 0.00 C ATOM 977 O ALA A 209 7.646 6.082 -1.638 1.00 0.00 O ATOM 978 CB ALA A 209 9.572 3.363 -1.454 1.00 0.00 C ATOM 0 H ALA A 209 9.456 4.869 0.523 1.00 0.00 H new ATOM 0 HA ALA A 209 10.621 5.083 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.481 2.939 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.448 2.942 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.679 3.124 -0.876 1.00 0.00 H new ATOM 984 N THR A 210 8.588 5.465 -3.599 1.00 0.00 N ATOM 985 CA THR A 210 7.535 6.045 -4.415 1.00 0.00 C ATOM 986 C THR A 210 6.451 5.005 -4.705 1.00 0.00 C ATOM 987 O THR A 210 6.725 3.806 -4.729 1.00 0.00 O ATOM 988 CB THR A 210 8.178 6.621 -5.677 1.00 0.00 C ATOM 989 OG1 THR A 210 7.096 6.738 -6.597 1.00 0.00 O ATOM 990 CG2 THR A 210 9.134 5.633 -6.350 1.00 0.00 C ATOM 0 H THR A 210 9.336 5.014 -4.125 1.00 0.00 H new ATOM 0 HA THR A 210 7.030 6.857 -3.891 1.00 0.00 H new ATOM 0 HB THR A 210 8.717 7.534 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.425 7.106 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.563 6.092 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.933 5.370 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.588 4.733 -6.633 1.00 0.00 H new ATOM 998 N LEU A 211 5.242 5.502 -4.919 1.00 0.00 N ATOM 999 CA LEU A 211 4.115 4.631 -5.208 1.00 0.00 C ATOM 1000 C LEU A 211 4.543 3.571 -6.226 1.00 0.00 C ATOM 1001 O LEU A 211 4.114 2.421 -6.148 1.00 0.00 O ATOM 1002 CB LEU A 211 2.901 5.452 -5.647 1.00 0.00 C ATOM 1003 CG LEU A 211 2.119 6.142 -4.529 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.536 7.608 -4.392 1.00 0.00 C ATOM 1005 CD2 LEU A 211 0.610 5.994 -4.741 1.00 0.00 C ATOM 0 H LEU A 211 5.018 6.497 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 211 3.803 4.101 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.237 6.213 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 211 2.220 4.795 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 211 2.362 5.648 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.965 8.075 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 211 3.600 7.664 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.341 8.131 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.078 6.494 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.330 6.446 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 211 0.346 4.937 -4.750 1.00 0.00 H new ATOM 1017 N GLU A 212 5.381 3.998 -7.158 1.00 0.00 N ATOM 1018 CA GLU A 212 5.872 3.100 -8.192 1.00 0.00 C ATOM 1019 C GLU A 212 6.661 1.950 -7.565 1.00 0.00 C ATOM 1020 O GLU A 212 6.498 0.795 -7.954 1.00 0.00 O ATOM 1021 CB GLU A 212 6.721 3.855 -9.215 1.00 0.00 C ATOM 1022 CG GLU A 212 6.569 3.245 -10.610 1.00 0.00 C ATOM 1023 CD GLU A 212 7.675 3.735 -11.547 1.00 0.00 C ATOM 1024 OE1 GLU A 212 8.286 4.783 -11.290 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.894 2.985 -12.573 1.00 0.00 O ATOM 0 H GLU A 212 5.733 4.953 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 212 5.015 2.681 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.423 4.903 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.768 3.828 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.602 2.158 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.595 3.509 -11.022 1.00 0.00 H new ATOM 1033 N GLU A 213 7.501 2.305 -6.604 1.00 0.00 N ATOM 1034 CA GLU A 213 8.316 1.317 -5.919 1.00 0.00 C ATOM 1035 C GLU A 213 7.438 0.413 -5.053 1.00 0.00 C ATOM 1036 O GLU A 213 7.636 -0.801 -5.017 1.00 0.00 O ATOM 1037 CB GLU A 213 9.404 1.990 -5.079 1.00 0.00 C ATOM 1038 CG GLU A 213 10.540 1.014 -4.767 1.00 0.00 C ATOM 1039 CD GLU A 213 11.553 0.967 -5.912 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.238 1.966 -6.174 1.00 0.00 O ATOM 1041 OE2 GLU A 213 11.618 -0.159 -6.538 1.00 0.00 O ATOM 0 H GLU A 213 7.635 3.264 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 213 8.811 0.700 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.799 2.854 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 213 8.973 2.361 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.040 1.315 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.132 0.018 -4.597 1.00 0.00 H new ATOM 1049 N MET A 214 6.486 1.037 -4.375 1.00 0.00 N ATOM 1050 CA MET A 214 5.576 0.303 -3.512 1.00 0.00 C ATOM 1051 C MET A 214 4.739 -0.691 -4.318 1.00 0.00 C ATOM 1052 O MET A 214 4.545 -1.830 -3.896 1.00 0.00 O ATOM 1053 CB MET A 214 4.651 1.286 -2.793 1.00 0.00 C ATOM 1054 CG MET A 214 5.449 2.246 -1.910 1.00 0.00 C ATOM 1055 SD MET A 214 4.584 3.800 -1.759 1.00 0.00 S ATOM 1056 CE MET A 214 4.721 4.060 0.003 1.00 0.00 C ATOM 0 H MET A 214 6.325 2.044 -4.406 1.00 0.00 H new ATOM 0 HA MET A 214 6.165 -0.254 -2.783 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.077 1.853 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 214 3.934 0.736 -2.183 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.599 1.807 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.437 2.411 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 214 4.230 4.995 0.272 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.244 3.234 0.531 1.00 0.00 H new ATOM 0 HE3 MET A 214 5.773 4.110 0.283 1.00 0.00 H new ATOM 1066 N MET A 215 4.264 -0.226 -5.464 1.00 0.00 N ATOM 1067 CA MET A 215 3.452 -1.060 -6.334 1.00 0.00 C ATOM 1068 C MET A 215 4.286 -2.184 -6.951 1.00 0.00 C ATOM 1069 O MET A 215 3.794 -3.294 -7.145 1.00 0.00 O ATOM 1070 CB MET A 215 2.846 -0.201 -7.446 1.00 0.00 C ATOM 1071 CG MET A 215 1.852 -1.009 -8.281 1.00 0.00 C ATOM 1072 SD MET A 215 2.193 -0.786 -10.019 1.00 0.00 S ATOM 1073 CE MET A 215 2.706 -2.440 -10.451 1.00 0.00 C ATOM 0 H MET A 215 4.426 0.719 -5.811 1.00 0.00 H new ATOM 0 HA MET A 215 2.658 -1.509 -5.738 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.343 0.663 -7.011 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.639 0.182 -8.088 1.00 0.00 H new ATOM 0 HG2 MET A 215 1.920 -2.065 -8.021 1.00 0.00 H new ATOM 0 HG3 MET A 215 0.834 -0.691 -8.058 1.00 0.00 H new ATOM 0 HE1 MET A 215 2.957 -2.478 -11.511 1.00 0.00 H new ATOM 0 HE2 MET A 215 3.580 -2.716 -9.861 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.894 -3.138 -10.246 1.00 0.00 H new ATOM 1083 N THR A 216 5.536 -1.857 -7.243 1.00 0.00 N ATOM 1084 CA THR A 216 6.444 -2.825 -7.835 1.00 0.00 C ATOM 1085 C THR A 216 6.747 -3.948 -6.843 1.00 0.00 C ATOM 1086 O THR A 216 6.851 -5.111 -7.228 1.00 0.00 O ATOM 1087 CB THR A 216 7.693 -2.077 -8.306 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.331 -1.571 -9.588 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.866 -3.016 -8.593 1.00 0.00 C ATOM 0 H THR A 216 5.942 -0.935 -7.081 1.00 0.00 H new ATOM 0 HA THR A 216 5.993 -3.311 -8.700 1.00 0.00 H new ATOM 0 HB THR A 216 7.988 -1.351 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 216 6.983 -0.660 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.726 -2.433 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.125 -3.562 -7.686 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.584 -3.722 -9.374 1.00 0.00 H new ATOM 1097 N ALA A 217 6.881 -3.561 -5.582 1.00 0.00 N ATOM 1098 CA ALA A 217 7.171 -4.521 -4.532 1.00 0.00 C ATOM 1099 C ALA A 217 5.925 -5.367 -4.262 1.00 0.00 C ATOM 1100 O ALA A 217 6.029 -6.560 -3.984 1.00 0.00 O ATOM 1101 CB ALA A 217 7.653 -3.780 -3.282 1.00 0.00 C ATOM 0 H ALA A 217 6.794 -2.595 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 217 7.969 -5.197 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 217 7.871 -4.500 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.556 -3.217 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 217 6.876 -3.095 -2.943 1.00 0.00 H new ATOM 1107 N CYS A 218 4.775 -4.716 -4.354 1.00 0.00 N ATOM 1108 CA CYS A 218 3.510 -5.394 -4.124 1.00 0.00 C ATOM 1109 C CYS A 218 3.309 -6.424 -5.236 1.00 0.00 C ATOM 1110 O CYS A 218 2.873 -7.546 -4.977 1.00 0.00 O ATOM 1111 CB CYS A 218 2.344 -4.405 -4.044 1.00 0.00 C ATOM 1112 SG CYS A 218 0.895 -5.210 -3.269 1.00 0.00 S ATOM 0 H CYS A 218 4.692 -3.726 -4.585 1.00 0.00 H new ATOM 0 HA CYS A 218 3.536 -5.902 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.638 -3.530 -3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.085 -4.054 -5.043 1.00 0.00 H new ATOM 0 HG CYS A 218 0.086 -4.301 -2.812 1.00 0.00 H new ATOM 1118 N GLN A 219 3.637 -6.010 -6.451 1.00 0.00 N ATOM 1119 CA GLN A 219 3.497 -6.884 -7.603 1.00 0.00 C ATOM 1120 C GLN A 219 4.392 -8.115 -7.447 1.00 0.00 C ATOM 1121 O GLN A 219 4.110 -9.168 -8.017 1.00 0.00 O ATOM 1122 CB GLN A 219 3.816 -6.136 -8.900 1.00 0.00 C ATOM 1123 CG GLN A 219 2.669 -6.267 -9.904 1.00 0.00 C ATOM 1124 CD GLN A 219 2.659 -7.655 -10.547 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.612 -8.412 -10.467 1.00 0.00 O ATOM 1126 NE2 GLN A 219 1.530 -7.946 -11.188 1.00 0.00 N ATOM 0 H GLN A 219 3.999 -5.080 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 219 2.461 -7.217 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.995 -5.083 -8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.733 -6.532 -9.336 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.719 -6.088 -9.401 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.769 -5.505 -10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 219 0.770 -7.266 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 219 1.424 -8.849 -11.651 1.00 0.00 H new ATOM 1135 N GLY A 220 5.452 -7.942 -6.671 1.00 0.00 N ATOM 1136 CA GLY A 220 6.389 -9.026 -6.433 1.00 0.00 C ATOM 1137 C GLY A 220 5.819 -10.034 -5.433 1.00 0.00 C ATOM 1138 O GLY A 220 6.161 -11.215 -5.471 1.00 0.00 O ATOM 0 H GLY A 220 5.682 -7.067 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.615 -9.529 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.328 -8.623 -6.053 1.00 0.00 H new ATOM 1142 N VAL A 221 4.959 -9.530 -4.559 1.00 0.00 N ATOM 1143 CA VAL A 221 4.338 -10.372 -3.550 1.00 0.00 C ATOM 1144 C VAL A 221 3.821 -11.653 -4.208 1.00 0.00 C ATOM 1145 O VAL A 221 3.443 -11.644 -5.379 1.00 0.00 O ATOM 1146 CB VAL A 221 3.245 -9.591 -2.819 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.897 -9.740 -3.527 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.146 -10.026 -1.356 1.00 0.00 C ATOM 0 H VAL A 221 4.678 -8.550 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 221 5.068 -10.667 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 221 3.518 -8.536 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.138 -9.175 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 221 1.977 -9.359 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.615 -10.792 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.361 -9.455 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.908 -11.089 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.098 -9.844 -0.857 1.00 0.00 H new