USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 582 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 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 240 SER OG : rot 180:sc= -0.704 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ -136:sc= -0.716 (180deg=-3.26!) USER MOD Single : A 169 SER OG : rot 50:sc= 0.113 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 152:sc= -0.481 (180deg=-2.28!) USER MOD Single : A 178 ASN : amide:sc= -8.87! C(o=-8.9!,f=-11!) USER MOD Single : A 191 TYR OH : rot -142:sc= -0.868 USER MOD Single : A 193 TYR OH : rot 110:sc= -3.71 USER MOD Single : A 194 ASN : amide:sc= -3.23 K(o=-3.2,f=-8.9!) USER MOD Single : A 196 LYS NZ :NH3+ -125:sc= -0.994 (180deg=-1.27) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 198 LYS NZ :NH3+ 174:sc= -3.32 (180deg=-3.46) USER MOD Single : A 199 SER OG : rot 23:sc= 0.151 USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= -0.0689 K(o=-0.069,f=-1.6!) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -4.64! C(o=-4.6!,f=-7.5!) USER MOD Single : A 217 ASN :FLIP amide:sc= -0.668! F(o=-4.7,f=-0.67!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 23:sc= 0.249 USER MOD Single : A 225 TYR OH : rot 180:sc=-0.00819 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.114) USER MOD Single : A 236 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 15.335 7.130 -12.332 -0.36 0.02 N ATOM 26 CA ASP A 160 16.120 8.166 -11.669 1.00 0.01 C ATOM 27 C ASP A 160 17.171 7.549 -10.745 0.48 0.02 C ATOM 28 O ASP A 160 18.307 7.314 -11.157 -0.48 0.02 O ATOM 29 CB ASP A 160 15.206 9.115 -10.882 -0.45 0.01 C ATOM 30 CG ASP A 160 13.938 8.438 -10.389 0.49 0.01 C ATOM 31 OD1 ASP A 160 12.950 8.401 -11.153 -0.62 0.01 O ATOM 32 OD2 ASP A 160 13.934 7.943 -9.241 -0.62 0.01 O ATOM 0 HA ASP A 160 16.638 8.740 -12.437 1.00 0.01 H new ATOM 0 HB2 ASP A 160 15.754 9.515 -10.029 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 14.938 9.961 -11.514 -0.45 0.01 H new ATOM 37 N VAL A 161 16.788 7.284 -9.498 -0.36 0.01 N ATOM 38 CA VAL A 161 17.699 6.692 -8.525 1.00 0.01 C ATOM 39 C VAL A 161 16.921 5.960 -7.438 0.48 0.01 C ATOM 40 O VAL A 161 15.765 6.294 -7.161 -0.48 0.01 O ATOM 41 CB VAL A 161 18.601 7.757 -7.870 -0.10 0.01 C ATOM 42 CG1 VAL A 161 19.635 7.101 -6.968 -0.30 0.02 C ATOM 43 CG2 VAL A 161 19.276 8.613 -8.931 -0.30 0.02 C ATOM 0 H VAL A 161 15.852 7.471 -9.139 -0.36 0.01 H new ATOM 0 HA VAL A 161 18.329 5.985 -9.065 1.00 0.01 H new ATOM 0 HB VAL A 161 17.976 8.406 -7.256 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 20.262 7.869 -6.515 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 19.129 6.537 -6.185 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 20.256 6.426 -7.557 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 19.908 9.359 -8.449 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 19.887 7.980 -9.574 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 18.517 9.114 -9.531 -0.30 0.02 H new ATOM 53 N ASP A 162 17.556 4.958 -6.828 -0.36 0.01 N ATOM 54 CA ASP A 162 16.916 4.175 -5.773 1.00 0.01 C ATOM 55 C ASP A 162 15.497 3.795 -6.177 0.48 0.01 C ATOM 56 O ASP A 162 14.555 4.545 -5.932 -0.48 0.02 O ATOM 57 CB ASP A 162 16.888 4.972 -4.466 -0.45 0.01 C ATOM 58 CG ASP A 162 18.183 4.850 -3.686 0.49 0.02 C ATOM 59 OD1 ASP A 162 19.212 4.493 -4.297 -0.62 0.02 O ATOM 60 OD2 ASP A 162 18.167 5.111 -2.465 -0.62 0.02 O ATOM 0 H ASP A 162 18.510 4.671 -7.046 -0.36 0.01 H new ATOM 0 HA ASP A 162 17.494 3.263 -5.622 1.00 0.01 H new ATOM 0 HB2 ASP A 162 16.698 6.022 -4.688 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 16.061 4.623 -3.848 -0.45 0.01 H new ATOM 65 N GLU A 163 15.342 2.635 -6.806 -0.36 0.02 N ATOM 66 CA GLU A 163 14.026 2.195 -7.237 1.00 0.02 C ATOM 67 C GLU A 163 13.513 1.085 -6.335 0.48 0.02 C ATOM 68 O GLU A 163 12.580 1.284 -5.557 -0.48 0.02 O ATOM 69 CB GLU A 163 14.065 1.729 -8.694 -0.20 0.01 C ATOM 70 CG GLU A 163 14.893 2.630 -9.598 -0.45 0.01 C ATOM 71 CD GLU A 163 14.404 4.068 -9.601 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.175 4.623 -8.504 -0.62 0.01 O ATOM 73 OE2 GLU A 163 14.252 4.639 -10.701 -0.62 0.01 O ATOM 0 H GLU A 163 16.102 1.992 -7.025 -0.36 0.02 H new ATOM 0 HA GLU A 163 13.341 3.040 -7.166 1.00 0.02 H new ATOM 0 HB2 GLU A 163 14.470 0.718 -8.733 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.046 1.679 -9.079 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 15.933 2.605 -9.274 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 14.867 2.240 -10.615 -0.45 0.01 H new ATOM 80 N CYS A 164 14.139 -0.077 -6.429 -0.36 0.02 N ATOM 81 CA CYS A 164 13.756 -1.210 -5.605 1.00 0.02 C ATOM 82 C CYS A 164 14.633 -1.280 -4.361 0.48 0.02 C ATOM 83 O CYS A 164 14.288 -1.937 -3.379 -0.48 0.02 O ATOM 84 CB CYS A 164 13.855 -2.503 -6.403 0.20 0.02 C ATOM 85 SG CYS A 164 12.264 -3.048 -7.100 -0.20 0.02 S ATOM 0 H CYS A 164 14.914 -0.259 -7.067 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.721 -1.078 -5.290 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.570 -2.367 -7.214 0.20 0.02 H new ATOM 0 HB3 CYS A 164 14.249 -3.289 -5.759 0.20 0.02 H new ATOM 90 N SER A 165 15.761 -0.577 -4.404 -0.36 0.02 N ATOM 91 CA SER A 165 16.678 -0.530 -3.276 1.00 0.02 C ATOM 92 C SER A 165 16.370 0.684 -2.401 0.48 0.02 C ATOM 93 O SER A 165 17.196 1.098 -1.588 -0.48 0.02 O ATOM 94 CB SER A 165 18.125 -0.466 -3.769 0.08 0.02 C ATOM 95 OG SER A 165 19.007 -1.075 -2.842 -0.68 0.02 O ATOM 0 H SER A 165 16.060 -0.031 -5.212 -0.36 0.02 H new ATOM 0 HA SER A 165 16.550 -1.436 -2.684 1.00 0.02 H new ATOM 0 HB2 SER A 165 18.206 -0.965 -4.735 0.08 0.02 H new ATOM 0 HB3 SER A 165 18.415 0.574 -3.922 0.08 0.02 H new ATOM 0 HG SER A 165 19.925 -1.022 -3.181 -0.68 0.02 H new ATOM 101 N LEU A 166 15.173 1.254 -2.574 -0.36 0.02 N ATOM 102 CA LEU A 166 14.762 2.418 -1.800 1.00 0.02 C ATOM 103 C LEU A 166 14.378 2.008 -0.383 0.48 0.02 C ATOM 104 O LEU A 166 14.547 2.774 0.566 -0.48 0.02 O ATOM 105 CB LEU A 166 13.583 3.119 -2.480 -0.20 0.02 C ATOM 106 CG LEU A 166 13.541 4.642 -2.302 -0.10 0.02 C ATOM 107 CD1 LEU A 166 13.395 5.334 -3.649 -0.30 0.02 C ATOM 108 CD2 LEU A 166 12.405 5.044 -1.371 -0.30 0.02 C ATOM 0 H LEU A 166 14.477 0.925 -3.243 -0.36 0.02 H new ATOM 0 HA LEU A 166 15.602 3.111 -1.748 1.00 0.02 H new ATOM 0 HB2 LEU A 166 13.612 2.894 -3.546 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 12.656 2.698 -2.091 -0.20 0.02 H new ATOM 0 HG LEU A 166 14.482 4.958 -1.852 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 13.367 6.414 -3.502 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 14.242 5.076 -4.284 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 12.471 5.009 -4.127 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 12.393 6.128 -1.258 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 11.456 4.712 -1.791 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 12.552 4.580 -0.396 -0.30 0.02 H new ATOM 120 N LYS A 167 13.861 0.790 -0.252 -0.36 0.02 N ATOM 121 CA LYS A 167 13.450 0.264 1.043 1.00 0.02 C ATOM 122 C LYS A 167 14.025 -1.135 1.262 0.48 0.02 C ATOM 123 O LYS A 167 14.523 -1.762 0.327 -0.48 0.02 O ATOM 124 CB LYS A 167 11.923 0.228 1.138 -0.20 0.02 C ATOM 125 CG LYS A 167 11.329 1.447 1.828 -0.20 0.02 C ATOM 126 CD LYS A 167 10.241 1.057 2.815 -0.20 0.02 C ATOM 127 CE LYS A 167 9.086 0.351 2.123 0.30 5.02 C ATOM 128 NZ LYS A 167 9.091 -1.114 2.390 -0.81 0.02 N ATOM 0 H LYS A 167 13.717 0.147 -1.031 -0.36 0.02 H new ATOM 0 HA LYS A 167 13.837 0.922 1.821 1.00 0.02 H new ATOM 0 HB2 LYS A 167 11.506 0.150 0.134 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 11.622 -0.669 1.679 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 12.117 1.990 2.350 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 10.917 2.124 1.080 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 10.660 0.405 3.581 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 9.872 1.949 3.322 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.143 0.779 2.463 0.30 5.02 H new ATOM 0 HE3 LYS A 167 9.146 0.524 1.049 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 8.904 -1.629 1.506 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 10.020 -1.395 2.764 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 8.353 -1.342 3.086 -0.81 0.02 H new ATOM 142 N PRO A 168 13.969 -1.644 2.505 -0.36 0.02 N ATOM 143 CA PRO A 168 14.493 -2.972 2.842 1.00 0.02 C ATOM 144 C PRO A 168 13.918 -4.076 1.958 0.48 0.02 C ATOM 145 O PRO A 168 14.567 -5.097 1.728 -0.48 0.02 O ATOM 146 CB PRO A 168 14.069 -3.180 4.304 -0.20 0.02 C ATOM 147 CG PRO A 168 13.053 -2.121 4.579 -0.20 0.02 C ATOM 148 CD PRO A 168 13.403 -0.971 3.683 0.06 0.02 C ATOM 0 HA PRO A 168 15.571 -3.022 2.690 1.00 0.02 H new ATOM 0 HB2 PRO A 168 13.649 -4.175 4.453 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 14.922 -3.090 4.977 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 12.046 -2.484 4.373 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 13.076 -1.821 5.627 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 12.527 -0.375 3.427 0.06 0.02 H new ATOM 0 HD3 PRO A 168 14.122 -0.298 4.150 0.06 0.02 H new ATOM 156 N SER A 169 12.699 -3.873 1.465 -0.36 0.02 N ATOM 157 CA SER A 169 12.052 -4.866 0.611 1.00 0.02 C ATOM 158 C SER A 169 10.928 -4.243 -0.211 0.48 0.02 C ATOM 159 O SER A 169 9.794 -4.133 0.255 -0.48 0.02 O ATOM 160 CB SER A 169 11.499 -6.012 1.459 0.08 0.02 C ATOM 161 OG SER A 169 10.815 -5.519 2.598 -0.68 0.02 O ATOM 0 H SER A 169 12.142 -3.036 1.640 -0.36 0.02 H new ATOM 0 HA SER A 169 12.803 -5.254 -0.077 1.00 0.02 H new ATOM 0 HB2 SER A 169 10.822 -6.619 0.858 0.08 0.02 H new ATOM 0 HB3 SER A 169 12.315 -6.662 1.774 0.08 0.02 H new ATOM 0 HG SER A 169 10.170 -4.835 2.322 -0.68 0.02 H new ATOM 167 N ILE A 170 11.249 -3.838 -1.436 -0.36 0.02 N ATOM 168 CA ILE A 170 10.262 -3.230 -2.321 1.00 0.02 C ATOM 169 C ILE A 170 9.732 -4.222 -3.345 0.48 0.02 C ATOM 170 O ILE A 170 8.634 -4.759 -3.200 -0.48 0.02 O ATOM 171 CB ILE A 170 10.844 -2.032 -3.090 -0.10 0.02 C ATOM 172 CG1 ILE A 170 11.516 -1.044 -2.134 -0.20 0.02 C ATOM 173 CG2 ILE A 170 9.761 -1.346 -3.903 -0.30 0.02 C ATOM 174 CD1 ILE A 170 11.032 0.382 -2.297 -0.30 0.02 C ATOM 0 H ILE A 170 12.183 -3.920 -1.838 -0.36 0.02 H new ATOM 0 HA ILE A 170 9.452 -2.897 -1.672 1.00 0.02 H new ATOM 0 HB ILE A 170 11.605 -2.403 -3.777 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.336 -1.365 -1.108 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 12.594 -1.073 -2.293 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 10.190 -0.501 -4.441 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 9.339 -2.053 -4.617 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 8.975 -0.991 -3.236 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 11.552 1.026 -1.587 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 11.236 0.722 -3.312 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.959 0.426 -2.109 -0.30 0.02 H new ATOM 186 N CYS A 171 10.511 -4.433 -4.403 -0.36 0.02 N ATOM 187 CA CYS A 171 10.110 -5.324 -5.471 1.00 0.02 C ATOM 188 C CYS A 171 11.265 -6.211 -5.927 0.48 0.02 C ATOM 189 O CYS A 171 11.300 -6.651 -7.076 -0.48 0.02 O ATOM 190 CB CYS A 171 9.586 -4.495 -6.645 0.20 0.02 C ATOM 191 SG CYS A 171 7.891 -4.906 -7.158 -0.20 0.02 S ATOM 0 H CYS A 171 11.423 -3.996 -4.537 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.323 -5.980 -5.097 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.625 -3.440 -6.375 0.20 0.02 H new ATOM 0 HB3 CYS A 171 10.253 -4.631 -7.496 0.20 0.02 H new ATOM 196 N GLY A 172 12.208 -6.473 -5.024 -0.36 0.02 N ATOM 197 CA GLY A 172 13.348 -7.308 -5.366 -0.10 0.02 C ATOM 198 C GLY A 172 13.969 -6.914 -6.691 0.48 0.02 C ATOM 199 O GLY A 172 14.313 -7.772 -7.504 -0.48 0.02 O ATOM 0 H GLY A 172 12.203 -6.124 -4.066 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 14.099 -7.235 -4.579 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 13.032 -8.350 -5.410 -0.10 0.02 H new ATOM 203 N THR A 173 14.106 -5.605 -6.899 -0.36 0.02 N ATOM 204 CA THR A 173 14.677 -5.052 -8.119 1.00 0.02 C ATOM 205 C THR A 173 14.332 -5.907 -9.338 0.48 0.02 C ATOM 206 O THR A 173 15.193 -6.225 -10.157 -0.48 0.02 O ATOM 207 CB THR A 173 16.183 -4.897 -7.959 0.18 0.02 C ATOM 208 OG1 THR A 173 16.541 -4.877 -6.587 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.729 -3.630 -8.592 -0.30 0.02 C ATOM 0 H THR A 173 13.822 -4.898 -6.221 -0.36 0.02 H new ATOM 0 HA THR A 173 14.241 -4.068 -8.290 1.00 0.02 H new ATOM 0 HB THR A 173 16.617 -5.756 -8.471 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.512 -4.779 -6.504 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.807 -3.583 -8.441 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.512 -3.634 -9.660 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.260 -2.761 -8.130 -0.30 0.02 H new ATOM 217 N ALA A 174 13.053 -6.267 -9.443 -0.36 0.02 N ATOM 218 CA ALA A 174 12.562 -7.076 -10.552 1.00 0.02 C ATOM 219 C ALA A 174 12.363 -6.209 -11.788 0.48 0.02 C ATOM 220 O ALA A 174 13.138 -6.270 -12.743 -0.48 0.02 O ATOM 221 CB ALA A 174 11.249 -7.756 -10.162 -0.30 0.02 C ATOM 0 H ALA A 174 12.335 -6.007 -8.766 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.300 -7.844 -10.783 1.00 0.02 H new ATOM 0 HB1 ALA A 174 10.889 -8.358 -10.996 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.415 -8.397 -9.296 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.506 -6.998 -9.915 -0.30 0.02 H new ATOM 227 N VAL A 175 11.325 -5.391 -11.745 -0.36 0.02 N ATOM 228 CA VAL A 175 10.999 -4.478 -12.833 1.00 0.02 C ATOM 229 C VAL A 175 10.166 -3.324 -12.295 0.48 0.02 C ATOM 230 O VAL A 175 9.274 -2.810 -12.970 -0.48 0.02 O ATOM 231 CB VAL A 175 10.218 -5.182 -13.959 -0.10 0.02 C ATOM 232 CG1 VAL A 175 10.065 -4.260 -15.159 -0.30 0.02 C ATOM 233 CG2 VAL A 175 10.903 -6.480 -14.361 -0.30 0.02 C ATOM 0 H VAL A 175 10.682 -5.339 -10.955 -0.36 0.02 H new ATOM 0 HA VAL A 175 11.937 -4.111 -13.250 1.00 0.02 H new ATOM 0 HB VAL A 175 9.224 -5.426 -13.585 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.511 -4.774 -15.944 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.524 -3.362 -14.861 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 11.051 -3.982 -15.533 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 10.334 -6.960 -15.157 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 11.911 -6.265 -14.714 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 10.955 -7.146 -13.500 -0.30 0.02 H new ATOM 243 N CYS A 176 10.456 -2.944 -11.055 -0.36 0.02 N ATOM 244 CA CYS A 176 9.743 -1.883 -10.381 1.00 0.02 C ATOM 245 C CYS A 176 10.058 -0.509 -10.958 0.48 0.02 C ATOM 246 O CYS A 176 11.168 0.000 -10.809 -0.48 0.02 O ATOM 247 CB CYS A 176 10.098 -1.913 -8.899 0.20 0.02 C ATOM 248 SG CYS A 176 11.873 -1.685 -8.553 -0.20 0.02 S ATOM 0 H CYS A 176 11.195 -3.369 -10.494 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.676 -2.052 -10.526 1.00 0.02 H new ATOM 0 HB2 CYS A 176 9.536 -1.133 -8.386 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.777 -2.866 -8.479 0.20 0.02 H new ATOM 253 N LYS A 177 9.059 0.105 -11.582 -0.36 0.02 N ATOM 254 CA LYS A 177 9.220 1.439 -12.136 1.00 0.02 C ATOM 255 C LYS A 177 9.084 2.454 -11.010 0.48 0.02 C ATOM 256 O LYS A 177 7.994 2.960 -10.741 -0.48 0.02 O ATOM 257 CB LYS A 177 8.177 1.704 -13.224 -0.20 0.02 C ATOM 258 CG LYS A 177 8.269 0.747 -14.402 -0.20 0.02 C ATOM 259 CD LYS A 177 6.897 0.240 -14.820 -0.20 0.02 C ATOM 260 CE LYS A 177 6.637 -1.166 -14.299 0.30 5.02 C ATOM 261 NZ LYS A 177 5.419 -1.224 -13.444 -0.81 0.02 N ATOM 0 H LYS A 177 8.133 -0.300 -11.715 -0.36 0.02 H new ATOM 0 HA LYS A 177 10.205 1.526 -12.594 1.00 0.02 H new ATOM 0 HB2 LYS A 177 7.181 1.633 -12.786 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 8.294 2.725 -13.586 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 8.744 1.250 -15.244 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 8.904 -0.098 -14.136 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 6.129 0.916 -14.444 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 6.822 0.245 -15.907 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 6.523 -1.850 -15.140 0.30 5.02 H new ATOM 0 HE3 LYS A 177 7.500 -1.506 -13.726 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 5.003 -2.176 -13.496 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 5.676 -1.012 -12.459 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 4.726 -0.525 -13.779 -0.81 0.02 H new ATOM 275 N ASN A 178 10.191 2.710 -10.324 -0.36 0.02 N ATOM 276 CA ASN A 178 10.193 3.626 -9.192 1.00 0.01 C ATOM 277 C ASN A 178 10.399 5.073 -9.616 0.48 0.02 C ATOM 278 O ASN A 178 10.862 5.358 -10.720 -0.48 0.02 O ATOM 279 CB ASN A 178 11.276 3.220 -8.196 -0.20 0.01 C ATOM 280 CG ASN A 178 11.145 3.935 -6.864 0.48 0.01 C ATOM 281 OD1 ASN A 178 11.414 5.132 -6.757 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.740 3.199 -5.835 -0.52 0.01 N ATOM 0 H ASN A 178 11.099 2.295 -10.533 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.211 3.561 -8.723 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.228 2.143 -8.032 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.256 3.434 -8.624 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.642 3.623 -4.912 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.527 2.210 -5.968 -0.52 0.01 H new ATOM 289 N ILE A 179 10.049 5.979 -8.711 -0.36 0.01 N ATOM 290 CA ILE A 179 10.184 7.406 -8.946 1.00 0.01 C ATOM 291 C ILE A 179 10.807 8.087 -7.724 0.48 0.01 C ATOM 292 O ILE A 179 10.946 7.464 -6.668 -0.48 0.01 O ATOM 293 CB ILE A 179 8.814 8.036 -9.269 -0.10 0.01 C ATOM 294 CG1 ILE A 179 7.813 7.740 -8.149 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.304 7.506 -10.602 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.376 8.042 -8.522 -0.30 5.62 C ATOM 0 H ILE A 179 9.665 5.743 -7.796 -0.36 0.01 H new ATOM 0 HA ILE A 179 10.841 7.554 -9.803 1.00 0.01 H new ATOM 0 HB ILE A 179 8.928 9.117 -9.343 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 7.894 6.689 -7.870 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 8.082 8.325 -7.269 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.336 7.954 -10.825 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 9.013 7.761 -11.390 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 8.198 6.423 -10.546 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 5.725 7.808 -7.680 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.279 9.098 -8.773 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.089 7.437 -9.382 -0.30 5.62 H new ATOM 308 N PRO A 180 11.213 9.365 -7.850 -0.36 0.01 N ATOM 309 CA PRO A 180 11.845 10.112 -6.757 1.00 0.01 C ATOM 310 C PRO A 180 11.213 9.869 -5.388 0.48 0.01 C ATOM 311 O PRO A 180 11.885 9.988 -4.363 -0.48 0.02 O ATOM 312 CB PRO A 180 11.655 11.561 -7.191 -0.20 0.01 C ATOM 313 CG PRO A 180 11.723 11.506 -8.678 -0.20 0.02 C ATOM 314 CD PRO A 180 11.116 10.184 -9.078 0.06 0.01 C ATOM 0 HA PRO A 180 12.883 9.810 -6.614 1.00 0.01 H new ATOM 0 HB2 PRO A 180 10.699 11.957 -6.850 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 12.432 12.206 -6.780 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 11.176 12.337 -9.124 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.754 11.582 -9.024 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 10.081 10.300 -9.401 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.659 9.729 -9.906 0.06 0.01 H new ATOM 322 N GLY A 181 9.930 9.534 -5.368 -0.36 0.02 N ATOM 323 CA GLY A 181 9.260 9.290 -4.100 -0.10 0.02 C ATOM 324 C GLY A 181 8.017 8.429 -4.230 0.48 0.02 C ATOM 325 O GLY A 181 6.940 8.805 -3.768 -0.48 0.02 O ATOM 0 H GLY A 181 9.344 9.427 -6.196 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 9.958 8.807 -3.416 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 8.986 10.245 -3.653 -0.10 0.02 H new ATOM 329 N ASP A 182 8.172 7.266 -4.849 -0.36 0.02 N ATOM 330 CA ASP A 182 7.068 6.333 -5.033 1.00 0.02 C ATOM 331 C ASP A 182 7.570 5.096 -5.752 0.48 0.02 C ATOM 332 O ASP A 182 8.780 4.891 -5.859 -0.48 0.02 O ATOM 333 CB ASP A 182 5.927 6.986 -5.814 -0.45 0.02 C ATOM 334 CG ASP A 182 4.624 6.990 -5.038 0.49 0.02 C ATOM 335 OD1 ASP A 182 4.676 6.992 -3.790 -0.62 0.02 O ATOM 336 OD2 ASP A 182 3.552 6.993 -5.679 -0.62 0.02 O ATOM 0 H ASP A 182 9.060 6.944 -5.235 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.678 6.047 -4.056 1.00 0.02 H new ATOM 0 HB2 ASP A 182 6.201 8.011 -6.064 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 5.784 6.456 -6.756 -0.45 0.02 H new ATOM 341 N PHE A 183 6.663 4.264 -6.243 -0.36 0.02 N ATOM 342 CA PHE A 183 7.091 3.062 -6.935 1.00 0.02 C ATOM 343 C PHE A 183 5.965 2.345 -7.671 0.48 0.02 C ATOM 344 O PHE A 183 4.790 2.447 -7.318 -0.48 0.02 O ATOM 345 CB PHE A 183 7.781 2.110 -5.939 -0.16 0.02 C ATOM 346 CG PHE A 183 6.986 0.883 -5.556 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.646 0.975 -5.198 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.588 -0.366 -5.555 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.929 -0.160 -4.849 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.875 -1.497 -5.205 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.547 -1.393 -4.853 -0.15 0.02 C ATOM 0 H PHE A 183 5.654 4.394 -6.178 -0.36 0.02 H new ATOM 0 HA PHE A 183 7.796 3.375 -7.705 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.730 1.788 -6.369 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 8.015 2.668 -5.032 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 5.159 1.939 -5.192 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.628 -0.456 -5.831 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.888 -0.078 -4.574 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.359 -2.463 -5.207 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.990 -2.277 -4.580 -0.15 0.02 H new ATOM 361 N GLU A 184 6.371 1.586 -8.679 -0.36 0.02 N ATOM 362 CA GLU A 184 5.466 0.784 -9.483 1.00 0.02 C ATOM 363 C GLU A 184 6.128 -0.565 -9.721 0.48 0.02 C ATOM 364 O GLU A 184 7.321 -0.713 -9.456 -0.48 0.02 O ATOM 365 CB GLU A 184 5.149 1.483 -10.804 -0.20 0.02 C ATOM 366 CG GLU A 184 4.188 2.649 -10.644 -0.45 0.02 C ATOM 367 CD GLU A 184 2.920 2.478 -11.458 0.49 0.02 C ATOM 368 OE1 GLU A 184 2.453 1.328 -11.596 -0.62 0.02 O ATOM 369 OE2 GLU A 184 2.393 3.494 -11.958 -0.62 0.02 O ATOM 0 H GLU A 184 7.348 1.510 -8.963 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.518 0.647 -8.962 1.00 0.02 H new ATOM 0 HB2 GLU A 184 6.076 1.842 -11.250 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 4.721 0.759 -11.498 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 3.927 2.758 -9.591 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 4.687 3.570 -10.946 -0.45 0.02 H new ATOM 376 N CYS A 185 5.379 -1.558 -10.180 -0.36 0.02 N ATOM 377 CA CYS A 185 5.972 -2.874 -10.385 1.00 0.02 C ATOM 378 C CYS A 185 5.287 -3.682 -11.472 0.48 0.02 C ATOM 379 O CYS A 185 4.150 -3.410 -11.857 -0.48 0.02 O ATOM 380 CB CYS A 185 5.926 -3.662 -9.080 0.20 0.02 C ATOM 381 SG CYS A 185 7.172 -3.148 -7.861 -0.20 0.02 S ATOM 0 H CYS A 185 4.388 -1.484 -10.412 -0.36 0.02 H new ATOM 0 HA CYS A 185 6.999 -2.705 -10.709 1.00 0.02 H new ATOM 0 HB2 CYS A 185 4.935 -3.556 -8.638 0.20 0.02 H new ATOM 0 HB3 CYS A 185 6.064 -4.720 -9.302 0.20 0.02 H new ATOM 386 N GLU A 186 5.996 -4.711 -11.929 -0.36 0.02 N ATOM 387 CA GLU A 186 5.481 -5.618 -12.940 1.00 0.02 C ATOM 388 C GLU A 186 4.572 -6.654 -12.285 0.48 0.02 C ATOM 389 O GLU A 186 3.953 -7.474 -12.964 -0.48 0.02 O ATOM 390 CB GLU A 186 6.633 -6.317 -13.658 -0.20 0.02 C ATOM 391 CG GLU A 186 6.959 -5.716 -15.016 -0.45 0.02 C ATOM 392 CD GLU A 186 6.350 -6.501 -16.161 0.49 0.02 C ATOM 393 OE1 GLU A 186 6.309 -7.746 -16.072 -0.62 0.02 O ATOM 394 OE2 GLU A 186 5.913 -5.871 -17.147 -0.62 0.02 O ATOM 0 H GLU A 186 6.938 -4.935 -11.608 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.908 -5.047 -13.671 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.522 -6.274 -13.028 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.384 -7.370 -13.787 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 6.597 -4.689 -15.051 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 8.041 -5.677 -15.142 -0.45 0.02 H new ATOM 401 N CYS A 187 4.491 -6.598 -10.956 -0.36 0.02 N ATOM 402 CA CYS A 187 3.655 -7.515 -10.201 1.00 0.02 C ATOM 403 C CYS A 187 2.190 -7.224 -10.520 0.48 0.02 C ATOM 404 O CYS A 187 1.808 -6.064 -10.629 -0.48 0.02 O ATOM 405 CB CYS A 187 3.932 -7.365 -8.694 0.20 0.02 C ATOM 406 SG CYS A 187 4.895 -8.736 -7.978 -0.20 0.02 S ATOM 0 H CYS A 187 4.998 -5.923 -10.384 -0.36 0.02 H new ATOM 0 HA CYS A 187 3.883 -8.543 -10.481 1.00 0.02 H new ATOM 0 HB2 CYS A 187 4.468 -6.431 -8.525 0.20 0.02 H new ATOM 0 HB3 CYS A 187 2.981 -7.288 -8.166 0.20 0.02 H new ATOM 411 N PRO A 188 1.358 -8.270 -10.709 -0.36 0.02 N ATOM 412 CA PRO A 188 -0.065 -8.115 -11.045 1.00 0.02 C ATOM 413 C PRO A 188 -0.760 -7.061 -10.189 0.48 0.02 C ATOM 414 O PRO A 188 -1.514 -7.394 -9.276 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.659 -9.512 -10.781 -0.20 0.02 C ATOM 416 CG PRO A 188 0.449 -10.324 -10.185 -0.20 0.02 C ATOM 417 CD PRO A 188 1.729 -9.684 -10.635 0.06 0.02 C ATOM 0 HA PRO A 188 -0.200 -7.772 -12.071 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -1.509 -9.453 -10.101 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.021 -9.963 -11.705 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.381 -10.335 -9.097 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.394 -11.360 -10.518 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.541 -9.856 -9.928 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.060 -10.069 -11.600 0.06 0.02 H new ATOM 425 N GLU A 189 -0.426 -5.793 -10.450 -0.36 0.02 N ATOM 426 CA GLU A 189 -0.926 -4.641 -9.694 1.00 0.02 C ATOM 427 C GLU A 189 0.138 -4.263 -8.704 0.48 0.02 C ATOM 428 O GLU A 189 1.192 -4.895 -8.675 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.245 -4.909 -8.960 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.275 -5.628 -9.799 -0.45 0.02 C ATOM 431 CD GLU A 189 -4.548 -4.826 -9.987 0.49 0.02 C ATOM 432 OE1 GLU A 189 -4.869 -4.006 -9.102 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -5.224 -5.018 -11.020 -0.62 0.02 O ATOM 0 H GLU A 189 0.210 -5.535 -11.205 -0.36 0.02 H new ATOM 0 HA GLU A 189 -1.140 -3.838 -10.399 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -2.040 -5.501 -8.068 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.662 -3.960 -8.624 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -2.847 -5.854 -10.775 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -3.518 -6.581 -9.329 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.085 -3.230 -7.913 -0.36 0.02 N ATOM 441 CA GLY A 190 0.924 -2.821 -6.964 -0.10 0.02 C ATOM 442 C GLY A 190 1.468 -3.949 -6.098 0.48 0.02 C ATOM 443 O GLY A 190 2.148 -3.678 -5.122 -0.48 0.02 O ATOM 0 H GLY A 190 -0.938 -2.671 -7.910 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.752 -2.364 -7.507 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.505 -2.052 -6.316 -0.10 0.02 H new ATOM 447 N TYR A 191 1.235 -5.216 -6.460 -0.36 0.02 N ATOM 448 CA TYR A 191 1.783 -6.312 -5.681 1.00 0.02 C ATOM 449 C TYR A 191 3.282 -6.121 -5.537 0.48 0.02 C ATOM 450 O TYR A 191 3.977 -5.744 -6.480 -0.48 0.02 O ATOM 451 CB TYR A 191 1.475 -7.664 -6.336 -0.20 0.02 C ATOM 452 CG TYR A 191 0.072 -8.172 -6.092 1.00 0.02 C ATOM 453 CD1 TYR A 191 -1.029 -7.483 -6.579 -0.14 0.02 C ATOM 454 CD2 TYR A 191 -0.149 -9.347 -5.385 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.313 -7.948 -6.366 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.429 -9.820 -5.169 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.508 -9.117 -5.661 0.20 0.02 C ATOM 458 OH TYR A 191 -3.785 -9.586 -5.450 -0.60 0.02 O ATOM 0 H TYR A 191 0.682 -5.496 -7.270 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.318 -6.311 -4.695 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.635 -7.578 -7.411 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.185 -8.403 -5.966 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.880 -6.568 -7.134 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 0.694 -9.900 -4.998 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.160 -7.398 -6.750 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.583 -10.736 -4.618 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.848 -9.970 -4.551 -0.60 0.02 H new ATOM 468 N ARG A 192 3.748 -6.341 -4.333 -0.36 0.02 N ATOM 469 CA ARG A 192 5.160 -6.158 -3.994 1.00 0.02 C ATOM 470 C ARG A 192 5.959 -7.441 -4.200 0.48 0.02 C ATOM 471 O ARG A 192 5.581 -8.506 -3.729 -0.48 0.02 O ATOM 472 CB ARG A 192 5.292 -5.696 -2.539 -0.20 0.02 C ATOM 473 CG ARG A 192 5.635 -4.223 -2.398 -0.20 0.02 C ATOM 474 CD ARG A 192 5.076 -3.641 -1.110 -0.10 0.02 C ATOM 475 NE ARG A 192 6.056 -3.662 -0.026 -0.60 0.02 N ATOM 476 CZ ARG A 192 5.971 -2.903 1.064 0.60 0.02 C ATOM 477 NH1 ARG A 192 4.959 -2.057 1.216 -0.60 0.02 N ATOM 478 NH2 ARG A 192 6.901 -2.989 2.006 -0.60 0.02 N ATOM 0 H ARG A 192 3.170 -6.652 -3.552 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.566 -5.398 -4.661 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.356 -5.894 -2.017 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.063 -6.289 -2.047 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.718 -4.097 -2.415 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 5.236 -3.672 -3.250 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 4.753 -2.615 -1.286 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 4.193 -4.206 -0.811 -0.10 0.02 H new ATOM 0 HE ARG A 192 6.851 -4.295 -0.110 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 4.241 -1.986 0.495 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 4.900 -1.478 2.054 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 7.681 -3.637 1.895 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 6.836 -2.407 2.841 -0.60 0.02 H new ATOM 492 N TYR A 193 7.068 -7.320 -4.918 -0.36 0.02 N ATOM 493 CA TYR A 193 7.929 -8.450 -5.216 1.00 0.02 C ATOM 494 C TYR A 193 9.050 -8.598 -4.194 0.48 0.02 C ATOM 495 O TYR A 193 9.403 -7.648 -3.494 -0.48 0.02 O ATOM 496 CB TYR A 193 8.521 -8.264 -6.607 -0.20 0.02 C ATOM 497 CG TYR A 193 9.264 -9.469 -7.104 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.606 -10.458 -7.812 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.620 -9.613 -6.869 -0.14 0.02 C ATOM 500 CE1 TYR A 193 9.279 -11.567 -8.276 -0.14 0.02 C ATOM 501 CE2 TYR A 193 11.309 -10.716 -7.331 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.633 -11.693 -8.036 0.20 0.02 C ATOM 503 OH TYR A 193 11.311 -12.792 -8.508 -0.60 0.02 O ATOM 0 H TYR A 193 7.393 -6.436 -5.308 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.328 -9.359 -5.174 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.719 -8.027 -7.306 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.197 -7.409 -6.595 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.548 -10.359 -8.004 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 11.147 -8.850 -6.315 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 8.751 -12.333 -8.824 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 12.368 -10.815 -7.143 -0.14 0.02 H new ATOM 0 HH TYR A 193 11.910 -12.520 -9.234 -0.60 0.02 H new ATOM 513 N ASN A 194 9.599 -9.805 -4.116 -0.36 0.02 N ATOM 514 CA ASN A 194 10.676 -10.108 -3.186 1.00 0.02 C ATOM 515 C ASN A 194 11.839 -10.793 -3.893 0.48 0.02 C ATOM 516 O ASN A 194 11.659 -11.831 -4.531 -0.48 0.02 O ATOM 517 CB ASN A 194 10.169 -11.021 -2.068 -0.20 0.02 C ATOM 518 CG ASN A 194 8.747 -11.504 -2.290 0.48 0.02 C ATOM 519 OD1 ASN A 194 7.786 -10.795 -1.995 -0.48 0.02 O ATOM 520 ND2 ASN A 194 8.610 -12.717 -2.813 -0.52 0.02 N ATOM 0 H ASN A 194 9.311 -10.595 -4.693 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.023 -9.164 -2.766 1.00 0.02 H new ATOM 0 HB2 ASN A 194 10.830 -11.884 -1.984 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 10.221 -10.486 -1.119 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 7.679 -13.096 -2.985 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 9.436 -13.270 -3.042 -0.52 0.02 H new ATOM 527 N LEU A 195 13.035 -10.225 -3.765 -0.36 0.02 N ATOM 528 CA LEU A 195 14.222 -10.803 -4.380 1.00 0.02 C ATOM 529 C LEU A 195 14.746 -11.974 -3.543 0.48 0.02 C ATOM 530 O LEU A 195 15.578 -12.758 -3.999 -0.48 0.02 O ATOM 531 CB LEU A 195 15.302 -9.724 -4.530 -0.20 0.02 C ATOM 532 CG LEU A 195 16.723 -10.234 -4.786 -0.10 0.02 C ATOM 533 CD1 LEU A 195 17.401 -9.401 -5.862 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.536 -10.214 -3.500 -0.30 0.02 C ATOM 0 H LEU A 195 13.206 -9.366 -3.241 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.960 -11.184 -5.367 1.00 0.02 H new ATOM 0 HB2 LEU A 195 15.019 -9.065 -5.351 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.312 -9.118 -3.624 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.663 -11.264 -5.137 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 18.410 -9.777 -6.031 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 16.829 -9.467 -6.788 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.451 -8.361 -5.540 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.543 -10.580 -3.700 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.589 -9.194 -3.119 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 17.059 -10.854 -2.758 -0.30 0.02 H new ATOM 546 N LYS A 196 14.259 -12.081 -2.310 -0.36 0.02 N ATOM 547 CA LYS A 196 14.675 -13.144 -1.410 1.00 0.02 C ATOM 548 C LYS A 196 14.278 -14.500 -1.958 0.48 0.02 C ATOM 549 O LYS A 196 15.076 -15.437 -1.976 -0.48 0.02 O ATOM 550 CB LYS A 196 14.036 -12.946 -0.038 -0.20 0.02 C ATOM 551 CG LYS A 196 14.797 -11.980 0.842 -0.20 0.02 C ATOM 552 CD LYS A 196 14.275 -10.560 0.696 -0.20 0.02 C ATOM 553 CE LYS A 196 14.590 -9.723 1.925 0.30 5.02 C ATOM 554 NZ LYS A 196 13.574 -8.658 2.146 -0.81 0.02 N ATOM 0 H LYS A 196 13.573 -11.439 -1.913 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.760 -13.106 -1.318 1.00 0.02 H new ATOM 0 HB2 LYS A 196 13.017 -12.582 -0.169 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.968 -13.910 0.466 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 14.715 -12.293 1.883 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 15.855 -12.008 0.583 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 14.719 -10.097 -0.185 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 13.197 -10.582 0.536 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 14.636 -10.369 2.802 0.30 5.02 H new ATOM 0 HE3 LYS A 196 15.574 -9.268 1.812 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 14.047 -7.733 2.200 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 12.897 -8.655 1.357 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 13.068 -8.841 3.036 -0.81 0.02 H new ATOM 568 N SER A 197 13.033 -14.597 -2.397 -0.36 0.02 N ATOM 569 CA SER A 197 12.516 -15.844 -2.942 1.00 0.02 C ATOM 570 C SER A 197 12.209 -15.729 -4.429 0.48 0.02 C ATOM 571 O SER A 197 11.865 -16.718 -5.077 -0.48 0.02 O ATOM 572 CB SER A 197 11.263 -16.277 -2.181 0.08 0.02 C ATOM 573 OG SER A 197 11.245 -17.681 -1.985 -0.68 0.02 O ATOM 0 H SER A 197 12.362 -13.829 -2.387 -0.36 0.02 H new ATOM 0 HA SER A 197 13.292 -16.600 -2.820 1.00 0.02 H new ATOM 0 HB2 SER A 197 11.227 -15.771 -1.216 0.08 0.02 H new ATOM 0 HB3 SER A 197 10.374 -15.972 -2.734 0.08 0.02 H new ATOM 0 HG SER A 197 10.435 -17.932 -1.495 -0.68 0.02 H new ATOM 579 N LYS A 198 12.316 -14.522 -4.963 -0.36 0.02 N ATOM 580 CA LYS A 198 12.034 -14.279 -6.356 1.00 0.02 C ATOM 581 C LYS A 198 10.633 -14.686 -6.707 0.48 0.02 C ATOM 582 O LYS A 198 10.393 -15.544 -7.557 -0.48 0.02 O ATOM 583 CB LYS A 198 13.042 -14.963 -7.245 -0.20 0.02 C ATOM 584 CG LYS A 198 14.097 -13.985 -7.638 -0.20 0.02 C ATOM 585 CD LYS A 198 14.970 -13.658 -6.454 -0.20 0.02 C ATOM 586 CE LYS A 198 16.254 -12.968 -6.882 0.30 5.02 C ATOM 587 NZ LYS A 198 15.999 -11.601 -7.413 -0.81 0.02 N ATOM 0 H LYS A 198 12.599 -13.693 -4.441 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.118 -13.206 -6.527 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.490 -15.808 -6.723 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 12.550 -15.361 -8.133 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.704 -14.398 -8.444 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.635 -13.075 -8.021 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 14.423 -13.015 -5.764 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 15.211 -14.574 -5.914 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 16.934 -12.906 -6.032 0.30 5.02 H new ATOM 0 HE3 LYS A 198 16.751 -13.567 -7.645 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 16.905 -11.126 -7.599 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 15.455 -11.668 -8.297 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 15.458 -11.053 -6.715 -0.81 0.02 H new ATOM 601 N SER A 199 9.717 -14.043 -6.033 -0.36 0.02 N ATOM 602 CA SER A 199 8.294 -14.290 -6.235 1.00 0.02 C ATOM 603 C SER A 199 7.483 -13.028 -5.968 0.48 0.02 C ATOM 604 O SER A 199 7.936 -12.128 -5.260 -0.48 0.02 O ATOM 605 CB SER A 199 7.816 -15.421 -5.322 0.08 0.02 C ATOM 606 OG SER A 199 8.047 -16.688 -5.912 -0.68 0.02 O ATOM 0 H SER A 199 9.924 -13.334 -5.329 -0.36 0.02 H new ATOM 0 HA SER A 199 8.144 -14.585 -7.274 1.00 0.02 H new ATOM 0 HB2 SER A 199 8.334 -15.363 -4.365 0.08 0.02 H new ATOM 0 HB3 SER A 199 6.752 -15.301 -5.117 0.08 0.02 H new ATOM 0 HG SER A 199 8.768 -16.615 -6.572 -0.68 0.02 H new ATOM 612 N CYS A 200 6.278 -12.967 -6.528 -0.36 0.02 N ATOM 613 CA CYS A 200 5.409 -11.813 -6.334 1.00 0.02 C ATOM 614 C CYS A 200 4.662 -11.935 -5.009 0.48 0.02 C ATOM 615 O CYS A 200 4.268 -13.033 -4.615 -0.48 0.02 O ATOM 616 CB CYS A 200 4.413 -11.689 -7.487 0.20 0.02 C ATOM 617 SG CYS A 200 3.490 -10.119 -7.497 -0.20 0.02 S ATOM 0 H CYS A 200 5.883 -13.700 -7.117 -0.36 0.02 H new ATOM 0 HA CYS A 200 6.027 -10.916 -6.312 1.00 0.02 H new ATOM 0 HB2 CYS A 200 4.950 -11.790 -8.430 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.705 -12.516 -7.433 0.20 0.02 H new ATOM 622 N GLU A 201 4.482 -10.816 -4.312 -0.36 0.02 N ATOM 623 CA GLU A 201 3.796 -10.842 -3.024 1.00 0.02 C ATOM 624 C GLU A 201 2.983 -9.575 -2.749 0.48 0.02 C ATOM 625 O GLU A 201 3.529 -8.478 -2.652 -0.48 0.02 O ATOM 626 CB GLU A 201 4.807 -11.052 -1.898 -0.20 0.02 C ATOM 627 CG GLU A 201 5.343 -12.471 -1.823 -0.45 0.02 C ATOM 628 CD GLU A 201 4.259 -13.486 -1.519 0.49 0.02 C ATOM 629 OE1 GLU A 201 3.781 -13.516 -0.366 -0.62 0.02 O ATOM 630 OE2 GLU A 201 3.888 -14.251 -2.435 -0.62 0.02 O ATOM 0 H GLU A 201 4.796 -9.893 -4.612 -0.36 0.02 H new ATOM 0 HA GLU A 201 3.092 -11.673 -3.064 1.00 0.02 H new ATOM 0 HB2 GLU A 201 5.641 -10.364 -2.036 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 4.338 -10.798 -0.947 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 5.820 -12.726 -2.769 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 6.113 -12.525 -1.053 -0.45 0.02 H new ATOM 637 N ASP A 202 1.672 -9.768 -2.605 -0.36 0.02 N ATOM 638 CA ASP A 202 0.718 -8.702 -2.308 1.00 0.02 C ATOM 639 C ASP A 202 1.397 -7.506 -1.645 0.48 0.02 C ATOM 640 O ASP A 202 2.324 -7.654 -0.848 -0.48 0.02 O ATOM 641 CB ASP A 202 -0.412 -9.255 -1.425 -0.45 0.02 C ATOM 642 CG ASP A 202 -0.444 -8.651 -0.031 0.49 0.02 C ATOM 643 OD1 ASP A 202 -1.086 -7.595 0.143 -0.62 0.02 O ATOM 644 OD2 ASP A 202 0.175 -9.236 0.883 -0.62 0.02 O ATOM 0 H ASP A 202 1.237 -10.686 -2.693 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.295 -8.345 -3.247 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -1.368 -9.070 -1.914 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 -0.301 -10.336 -1.341 -0.45 0.02 H new ATOM 649 N ILE A 203 0.931 -6.327 -2.003 -0.36 0.02 N ATOM 650 CA ILE A 203 1.482 -5.086 -1.493 1.00 0.02 C ATOM 651 C ILE A 203 0.914 -4.699 -0.124 0.48 0.02 C ATOM 652 O ILE A 203 -0.115 -5.219 0.318 -0.48 0.02 O ATOM 653 CB ILE A 203 1.227 -3.961 -2.501 -0.10 0.02 C ATOM 654 CG1 ILE A 203 1.970 -2.686 -2.120 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.255 -3.702 -2.629 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.536 -1.966 -3.314 -0.30 0.02 C ATOM 0 H ILE A 203 0.158 -6.201 -2.657 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.553 -5.239 -1.358 1.00 0.02 H new ATOM 0 HB ILE A 203 1.612 -4.283 -3.469 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.291 -2.020 -1.587 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.779 -2.933 -1.433 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.423 -2.900 -3.348 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.754 -4.608 -2.972 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.658 -3.410 -1.659 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 3.054 -1.066 -2.984 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 3.238 -2.619 -3.834 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.727 -1.691 -3.991 -0.30 0.02 H new ATOM 668 N ASP A 204 1.594 -3.744 0.505 -0.36 0.02 N ATOM 669 CA ASP A 204 1.198 -3.213 1.802 1.00 0.02 C ATOM 670 C ASP A 204 0.586 -1.823 1.627 0.48 0.02 C ATOM 671 O ASP A 204 1.036 -0.847 2.229 -0.48 0.02 O ATOM 672 CB ASP A 204 2.405 -3.159 2.743 -0.45 0.02 C ATOM 673 CG ASP A 204 2.296 -4.157 3.878 0.49 0.02 C ATOM 674 OD1 ASP A 204 1.216 -4.230 4.503 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.289 -4.866 4.144 -0.62 0.02 O ATOM 0 H ASP A 204 2.439 -3.316 0.126 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.450 -3.870 2.245 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.314 -3.356 2.175 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.497 -2.154 3.154 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.443 -1.749 0.786 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.133 -0.494 0.502 1.00 0.02 C ATOM 682 C GLU A 205 -1.555 0.229 1.779 0.48 0.02 C ATOM 683 O GLU A 205 -1.541 1.455 1.836 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.367 -0.756 -0.360 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.043 -1.265 -1.753 -0.45 0.02 C ATOM 686 CD GLU A 205 -2.887 -2.463 -2.150 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.792 -3.514 -1.475 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.648 -2.347 -3.134 -0.62 0.02 O ATOM 0 H GLU A 205 -0.820 -2.553 0.285 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.431 0.146 -0.033 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.003 -1.484 0.144 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -2.942 0.166 -0.445 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.197 -0.462 -2.474 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -0.989 -1.537 -1.800 -0.45 0.02 H new ATOM 695 N CYS A 206 -1.936 -0.533 2.798 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.375 0.050 4.063 1.00 0.02 C ATOM 697 C CYS A 206 -1.190 0.422 4.949 0.48 0.02 C ATOM 698 O CYS A 206 -1.233 1.419 5.670 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.333 -0.911 4.781 0.20 0.02 C ATOM 700 SG CYS A 206 -2.779 -1.522 6.415 -0.20 0.02 S ATOM 0 H CYS A 206 -1.950 -1.553 2.775 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.911 0.974 3.847 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.292 -0.409 4.909 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -3.507 -1.770 4.134 0.20 0.02 H new ATOM 705 N SER A 207 -0.135 -0.379 4.890 -0.36 0.02 N ATOM 706 CA SER A 207 1.057 -0.122 5.689 1.00 0.02 C ATOM 707 C SER A 207 1.588 1.282 5.422 0.48 0.02 C ATOM 708 O SER A 207 2.331 1.842 6.227 -0.48 0.02 O ATOM 709 CB SER A 207 2.140 -1.157 5.384 0.08 0.02 C ATOM 710 OG SER A 207 2.952 -1.396 6.520 -0.68 0.02 O ATOM 0 H SER A 207 -0.079 -1.209 4.300 -0.36 0.02 H new ATOM 0 HA SER A 207 0.784 -0.199 6.742 1.00 0.02 H new ATOM 0 HB2 SER A 207 1.676 -2.089 5.062 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.759 -0.807 4.558 0.08 0.02 H new ATOM 0 HG SER A 207 3.636 -2.063 6.299 -0.68 0.02 H new ATOM 716 N GLU A 208 1.222 1.830 4.268 -0.36 0.02 N ATOM 717 CA GLU A 208 1.678 3.148 3.862 1.00 0.02 C ATOM 718 C GLU A 208 0.895 4.250 4.561 0.48 0.02 C ATOM 719 O GLU A 208 1.384 5.372 4.691 -0.48 0.02 O ATOM 720 CB GLU A 208 1.524 3.284 2.351 -0.20 0.02 C ATOM 721 CG GLU A 208 2.731 2.790 1.578 -0.45 0.02 C ATOM 722 CD GLU A 208 3.033 3.640 0.359 0.49 0.02 C ATOM 723 OE1 GLU A 208 2.123 3.826 -0.475 -0.62 0.02 O ATOM 724 OE2 GLU A 208 4.180 4.119 0.239 -0.62 0.02 O ATOM 0 H GLU A 208 0.606 1.375 3.595 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.725 3.254 4.146 1.00 0.02 H new ATOM 0 HB2 GLU A 208 0.643 2.727 2.031 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 1.346 4.331 2.104 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.600 2.783 2.235 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.560 1.760 1.265 -0.45 0.02 H new ATOM 731 N ASN A 209 -0.319 3.924 5.007 -0.36 0.02 N ATOM 732 CA ASN A 209 -1.190 4.878 5.700 1.00 0.02 C ATOM 733 C ASN A 209 -2.210 5.482 4.742 0.48 0.02 C ATOM 734 O ASN A 209 -2.163 6.674 4.437 -0.48 0.02 O ATOM 735 CB ASN A 209 -0.385 5.993 6.380 -0.20 0.02 C ATOM 736 CG ASN A 209 -1.136 6.628 7.534 0.48 0.02 C ATOM 737 OD1 ASN A 209 -1.986 5.995 8.160 -0.48 0.02 O ATOM 738 ND2 ASN A 209 -0.826 7.887 7.820 -0.52 0.02 N ATOM 0 H ASN A 209 -0.726 2.995 4.899 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.719 4.322 6.474 1.00 0.02 H new ATOM 0 HB2 ASN A 209 0.558 5.586 6.744 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.139 6.759 5.645 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 -1.299 8.368 8.585 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 -0.115 8.374 7.275 -0.52 0.02 H new ATOM 745 N MET A 210 -3.142 4.652 4.279 -0.36 0.02 N ATOM 746 CA MET A 210 -4.189 5.109 3.363 1.00 0.02 C ATOM 747 C MET A 210 -5.562 4.987 3.982 0.48 0.02 C ATOM 748 O MET A 210 -6.550 5.426 3.393 -0.48 0.02 O ATOM 749 CB MET A 210 -4.152 4.338 2.038 -0.20 0.02 C ATOM 750 CG MET A 210 -2.789 3.767 1.686 -0.11 5.02 C ATOM 751 SD MET A 210 -1.757 4.935 0.781 -0.17 0.02 S ATOM 752 CE MET A 210 -1.847 4.248 -0.871 -0.21 5.02 C ATOM 0 H MET A 210 -3.195 3.663 4.521 -0.36 0.02 H new ATOM 0 HA MET A 210 -3.990 6.162 3.162 1.00 0.02 H new ATOM 0 HB2 MET A 210 -4.874 3.522 2.085 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -4.473 5.002 1.235 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -2.277 3.470 2.601 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.921 2.866 1.087 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -1.257 4.861 -1.552 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.454 3.231 -0.864 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -2.885 4.233 -1.203 -0.21 5.02 H new ATOM 762 N CYS A 211 -5.639 4.394 5.160 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.922 4.240 5.809 1.00 0.02 C ATOM 764 C CYS A 211 -7.076 5.168 6.993 0.48 0.02 C ATOM 765 O CYS A 211 -6.116 5.474 7.699 -0.48 0.02 O ATOM 766 CB CYS A 211 -7.145 2.798 6.220 0.20 0.02 C ATOM 767 SG CYS A 211 -7.053 1.639 4.821 -0.20 0.02 S ATOM 0 H CYS A 211 -4.843 4.019 5.676 -0.36 0.02 H new ATOM 0 HA CYS A 211 -7.687 4.517 5.084 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -6.400 2.519 6.966 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -8.122 2.708 6.696 0.20 0.02 H new ATOM 772 N ALA A 212 -8.300 5.640 7.175 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.597 6.569 8.240 1.00 0.02 C ATOM 774 C ALA A 212 -8.823 5.877 9.586 0.48 0.02 C ATOM 775 O ALA A 212 -8.306 6.324 10.611 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.803 7.420 7.872 -0.30 0.02 C ATOM 0 H ALA A 212 -9.101 5.391 6.595 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.722 7.208 8.359 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -10.018 8.117 8.682 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.590 7.978 6.960 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.667 6.776 7.709 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.611 4.805 9.590 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.912 4.089 10.829 1.00 0.02 C ATOM 784 C GLN A 213 -9.146 2.772 10.942 0.48 0.02 C ATOM 785 O GLN A 213 -8.288 2.616 11.811 -0.48 0.02 O ATOM 786 CB GLN A 213 -11.410 3.830 10.937 -0.20 0.02 C ATOM 787 CG GLN A 213 -12.021 4.343 12.232 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.642 3.503 13.435 0.48 0.02 C ATOM 789 OE1 GLN A 213 -12.386 2.612 13.843 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -10.479 3.786 14.010 -0.52 0.02 N ATOM 0 H GLN A 213 -10.050 4.414 8.757 -0.36 0.02 H new ATOM 0 HA GLN A 213 -9.589 4.725 11.653 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.914 4.302 10.094 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.592 2.758 10.858 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -11.700 5.371 12.397 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -13.106 4.360 12.134 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -9.894 4.534 13.637 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -10.170 3.255 14.825 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.462 1.826 10.063 -0.36 0.02 N ATOM 800 CA LEU A 214 -8.810 0.524 10.064 1.00 0.02 C ATOM 801 C LEU A 214 -8.419 0.113 8.666 0.48 0.02 C ATOM 802 O LEU A 214 -9.205 0.269 7.736 -0.48 0.02 O ATOM 803 CB LEU A 214 -9.747 -0.523 10.623 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.025 -0.389 12.103 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -8.712 -0.359 12.866 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -10.850 0.855 12.371 -0.30 0.02 C ATOM 0 H LEU A 214 -10.170 1.940 9.338 -0.36 0.02 H new ATOM 0 HA LEU A 214 -7.915 0.602 10.681 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.692 -0.472 10.083 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -9.324 -1.509 10.433 -0.20 0.02 H new ATOM 0 HG LEU A 214 -10.602 -1.248 12.446 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -8.913 -0.262 13.933 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -8.163 -1.283 12.682 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -8.116 0.490 12.531 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -11.043 0.940 13.440 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.304 1.734 12.030 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -11.797 0.786 11.835 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.202 -0.389 8.494 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.762 -0.775 7.173 1.00 0.02 C ATOM 820 C CYS A 215 -6.574 -2.290 7.002 0.48 0.02 C ATOM 821 O CYS A 215 -5.537 -2.839 7.372 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.454 -0.059 6.831 0.20 0.02 C ATOM 823 SG CYS A 215 -3.993 -0.614 7.777 -0.20 0.02 S ATOM 0 H CYS A 215 -6.520 -0.533 9.239 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.557 -0.478 6.489 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.252 -0.194 5.768 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.589 1.010 6.996 0.20 0.02 H new ATOM 828 N VAL A 216 -7.545 -2.957 6.377 -0.36 0.02 N ATOM 829 CA VAL A 216 -7.405 -4.385 6.101 1.00 0.02 C ATOM 830 C VAL A 216 -6.954 -4.549 4.671 0.48 0.02 C ATOM 831 O VAL A 216 -7.759 -4.539 3.738 -0.48 0.02 O ATOM 832 CB VAL A 216 -8.693 -5.206 6.305 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -8.784 -6.372 5.307 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -8.777 -5.734 7.729 -0.30 0.02 C ATOM 0 H VAL A 216 -8.420 -2.541 6.058 -0.36 0.02 H new ATOM 0 HA VAL A 216 -6.680 -4.770 6.819 1.00 0.02 H new ATOM 0 HB VAL A 216 -9.535 -4.538 6.124 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -9.705 -6.929 5.481 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -8.783 -5.981 4.290 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -7.929 -7.034 5.442 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -9.694 -6.310 7.850 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -7.917 -6.373 7.931 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -8.780 -4.897 8.428 -0.30 0.02 H new ATOM 844 N ASN A 217 -5.667 -4.668 4.503 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.095 -4.811 3.194 1.00 0.02 C ATOM 846 C ASN A 217 -5.124 -6.263 2.746 0.48 0.02 C ATOM 847 O ASN A 217 -4.285 -7.046 3.192 -0.48 0.02 O ATOM 848 CB ASN A 217 -3.651 -4.324 3.238 -0.20 0.02 C ATOM 849 CG ASN A 217 -2.864 -4.715 2.012 0.48 0.02 C ATOM 850 OD1 ASN A 217 -2.504 -3.720 1.231 -0.48 0.02 O flip ATOM 851 ND2 ASN A 217 -2.585 -5.890 1.778 -0.52 0.02 N flip ATOM 0 H ASN A 217 -4.988 -4.669 5.265 -0.36 0.02 H new ATOM 0 HA ASN A 217 -5.677 -4.222 2.485 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -3.641 -3.239 3.339 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.162 -4.731 4.123 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -2.889 -6.624 2.418 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -2.049 -6.131 0.944 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.060 -6.661 1.870 -0.36 0.02 N ATOM 859 CA TYR A 218 -6.072 -8.046 1.448 1.00 0.02 C ATOM 860 C TYR A 218 -5.140 -8.234 0.276 0.48 0.02 C ATOM 861 O TYR A 218 -4.705 -7.259 -0.350 -0.48 0.02 O ATOM 862 CB TYR A 218 -7.490 -8.552 1.123 -0.20 0.02 C ATOM 863 CG TYR A 218 -8.329 -7.673 0.217 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.207 -7.738 -1.170 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.284 -6.815 0.749 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.009 -6.969 -1.994 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.083 -6.038 -0.067 -0.14 0.02 C ATOM 868 CZ TYR A 218 -9.944 -6.120 -1.437 0.20 0.02 C ATOM 869 OH TYR A 218 -10.745 -5.354 -2.253 -0.60 0.02 O ATOM 0 H TYR A 218 -6.782 -6.066 1.463 -0.36 0.02 H new ATOM 0 HA TYR A 218 -5.718 -8.650 2.283 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -7.404 -9.535 0.661 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -8.028 -8.687 2.061 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -7.474 -8.399 -1.608 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.404 -6.755 1.821 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -8.904 -7.033 -3.067 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -10.813 -5.370 0.365 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.349 -4.813 -1.703 -0.60 0.02 H new ATOM 879 N PRO A 219 -4.774 -9.485 -0.019 -0.36 0.02 N ATOM 880 CA PRO A 219 -3.858 -9.781 -1.096 1.00 0.02 C ATOM 881 C PRO A 219 -4.173 -8.978 -2.356 0.48 0.02 C ATOM 882 O PRO A 219 -5.069 -9.332 -3.121 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.039 -11.289 -1.345 -0.20 0.02 C ATOM 884 CG PRO A 219 -5.111 -11.739 -0.401 -0.20 0.02 C ATOM 885 CD PRO A 219 -5.181 -10.706 0.686 0.06 0.02 C ATOM 0 HA PRO A 219 -2.833 -9.515 -0.838 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.324 -11.482 -2.379 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -3.109 -11.828 -1.165 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -6.068 -11.828 -0.915 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -4.878 -12.721 0.011 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -6.185 -10.620 1.102 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -4.512 -10.940 1.514 0.06 0.02 H new ATOM 893 N GLY A 220 -3.417 -7.904 -2.575 -0.36 0.02 N ATOM 894 CA GLY A 220 -3.617 -7.082 -3.747 -0.10 0.02 C ATOM 895 C GLY A 220 -4.376 -5.802 -3.462 0.48 0.02 C ATOM 896 O GLY A 220 -3.811 -4.711 -3.525 -0.48 0.02 O ATOM 0 H GLY A 220 -2.668 -7.592 -1.957 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -2.647 -6.832 -4.176 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.159 -7.658 -4.497 -0.10 0.02 H new ATOM 900 N GLY A 221 -5.663 -5.936 -3.176 -0.36 0.02 N ATOM 901 CA GLY A 221 -6.494 -4.773 -2.915 -0.10 0.02 C ATOM 902 C GLY A 221 -6.778 -4.526 -1.452 0.48 0.02 C ATOM 903 O GLY A 221 -7.481 -5.297 -0.802 -0.48 0.02 O ATOM 0 H GLY A 221 -6.150 -6.831 -3.119 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.006 -3.892 -3.332 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.441 -4.892 -3.442 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.215 -3.474 -0.898 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.439 -3.200 0.499 1.00 0.02 C ATOM 909 C TYR A 222 -7.862 -2.726 0.757 0.48 0.02 C ATOM 910 O TYR A 222 -8.701 -2.711 -0.143 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.444 -2.177 1.016 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.681 -0.799 0.468 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.260 -0.466 -0.806 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.326 0.162 1.225 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.471 0.800 -1.317 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.544 1.432 0.727 -0.14 0.02 C ATOM 917 CZ TYR A 222 -6.113 1.747 -0.546 0.20 0.02 C ATOM 918 OH TYR A 222 -6.327 3.010 -1.049 -0.60 0.02 O ATOM 0 H TYR A 222 -5.612 -2.809 -1.383 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.293 -4.135 1.039 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.498 -2.144 2.104 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.435 -2.497 0.757 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.759 -1.207 -1.411 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -6.664 -0.084 2.221 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -5.136 1.047 -2.313 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.048 2.173 1.329 -0.14 0.02 H new ATOM 0 HH TYR A 222 -6.792 3.554 -0.380 -0.60 0.02 H new ATOM 928 N THR A 223 -8.122 -2.346 2.001 -0.36 0.02 N ATOM 929 CA THR A 223 -9.439 -1.877 2.396 1.00 0.02 C ATOM 930 C THR A 223 -9.360 -1.067 3.681 0.48 0.02 C ATOM 931 O THR A 223 -8.492 -1.293 4.521 -0.48 0.02 O ATOM 932 CB THR A 223 -10.380 -3.075 2.554 0.18 0.02 C ATOM 933 OG1 THR A 223 -10.880 -3.480 1.294 -0.68 0.02 O ATOM 934 CG2 THR A 223 -11.570 -2.820 3.448 -0.30 0.02 C ATOM 0 H THR A 223 -7.434 -2.354 2.754 -0.36 0.02 H new ATOM 0 HA THR A 223 -9.834 -1.220 1.621 1.00 0.02 H new ATOM 0 HB THR A 223 -9.768 -3.847 3.020 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.269 -3.182 0.588 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.183 -3.720 3.504 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.224 -2.554 4.447 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.163 -2.002 3.039 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.265 -0.111 3.815 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.296 0.747 4.986 1.00 0.02 C ATOM 944 C CYS A 224 -11.646 0.679 5.683 0.48 0.02 C ATOM 945 O CYS A 224 -12.625 1.257 5.211 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.996 2.184 4.572 0.20 0.02 C ATOM 947 SG CYS A 224 -8.486 2.341 3.571 -0.20 0.02 S ATOM 0 H CYS A 224 -10.989 0.090 3.125 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.538 0.400 5.688 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.841 2.576 4.007 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.897 2.800 5.466 0.20 0.02 H new ATOM 952 N TYR A 225 -11.698 -0.010 6.821 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.941 -0.108 7.567 1.00 0.02 C ATOM 954 C TYR A 225 -12.972 0.926 8.679 0.48 0.02 C ATOM 955 O TYR A 225 -11.981 1.164 9.368 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.208 -1.519 8.098 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.063 -2.182 8.824 1.00 0.02 C ATOM 958 CD1 TYR A 225 -10.912 -2.573 8.156 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -12.161 -2.455 10.179 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -9.892 -3.217 8.813 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -11.139 -3.097 10.852 -0.14 0.02 C ATOM 962 CZ TYR A 225 -10.006 -3.481 10.163 0.20 0.02 C ATOM 963 OH TYR A 225 -8.986 -4.126 10.825 -0.60 0.02 O ATOM 0 H TYR A 225 -10.906 -0.500 7.238 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.753 0.105 6.872 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -14.063 -1.476 8.773 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -13.496 -2.153 7.259 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -10.816 -2.367 7.100 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -13.050 -2.161 10.717 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -9.004 -3.516 8.275 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -11.226 -3.297 11.910 -0.14 0.02 H new ATOM 0 HH TYR A 225 -9.225 -4.233 11.769 -0.60 0.02 H new ATOM 973 N CYS A 226 -14.114 1.578 8.788 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.325 2.655 9.744 1.00 0.02 C ATOM 975 C CYS A 226 -15.341 2.268 10.811 0.48 0.02 C ATOM 976 O CYS A 226 -15.808 1.131 10.847 -0.48 0.02 O ATOM 977 CB CYS A 226 -14.791 3.872 8.970 0.20 0.02 C ATOM 978 SG CYS A 226 -14.005 4.009 7.330 -0.20 0.02 S ATOM 0 H CYS A 226 -14.931 1.375 8.211 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.394 2.870 10.268 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -15.873 3.826 8.847 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -14.574 4.770 9.548 0.20 0.02 H new ATOM 983 N ASP A 227 -15.660 3.214 11.696 -0.36 0.02 N ATOM 984 CA ASP A 227 -16.602 2.959 12.776 1.00 0.02 C ATOM 985 C ASP A 227 -15.992 2.013 13.807 0.48 0.02 C ATOM 986 O ASP A 227 -16.202 0.801 13.752 -0.48 0.02 O ATOM 987 CB ASP A 227 -17.906 2.373 12.226 -0.45 0.02 C ATOM 988 CG ASP A 227 -18.875 1.968 13.322 0.49 0.02 C ATOM 989 OD1 ASP A 227 -18.982 2.705 14.324 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -19.526 0.912 13.178 -0.62 0.02 O ATOM 0 H ASP A 227 -15.279 4.160 11.683 -0.36 0.02 H new ATOM 0 HA ASP A 227 -16.826 3.908 13.264 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -18.384 3.107 11.577 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -17.677 1.504 11.610 -0.45 0.02 H new ATOM 995 N GLY A 228 -15.236 2.575 14.745 -0.36 0.02 N ATOM 996 CA GLY A 228 -14.608 1.766 15.772 -0.10 0.02 C ATOM 997 C GLY A 228 -14.468 2.499 17.092 0.48 0.02 C ATOM 998 O GLY A 228 -15.318 2.372 17.973 -0.48 0.02 O ATOM 0 H GLY A 228 -15.048 3.575 14.812 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -15.195 0.860 15.925 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -13.622 1.452 15.429 -0.10 0.02 H new ATOM 1002 N LYS A 229 -13.389 3.264 17.232 -0.36 0.02 N ATOM 1003 CA LYS A 229 -13.137 4.014 18.458 1.00 0.02 C ATOM 1004 C LYS A 229 -14.191 5.098 18.670 0.48 0.02 C ATOM 1005 O LYS A 229 -14.619 5.345 19.798 -0.48 0.02 O ATOM 1006 CB LYS A 229 -11.742 4.643 18.422 -0.20 0.02 C ATOM 1007 CG LYS A 229 -11.405 5.312 17.098 -0.20 0.02 C ATOM 1008 CD LYS A 229 -10.886 6.727 17.302 -0.20 0.02 C ATOM 1009 CE LYS A 229 -9.412 6.731 17.673 0.30 5.02 C ATOM 1010 NZ LYS A 229 -8.872 8.113 17.789 -0.81 0.02 N ATOM 0 H LYS A 229 -12.676 3.381 16.512 -0.36 0.02 H new ATOM 0 HA LYS A 229 -13.193 3.315 19.293 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -11.665 5.380 19.221 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -11.000 3.871 18.628 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -10.655 4.721 16.572 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -12.293 5.337 16.466 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -11.034 7.305 16.390 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -11.461 7.217 18.087 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -9.274 6.207 18.619 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -8.847 6.182 16.920 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -7.864 8.072 18.043 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -8.980 8.605 16.879 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -9.394 8.629 18.526 -0.81 0.02 H new ATOM 1024 N LYS A 230 -14.606 5.742 17.585 -0.36 0.02 N ATOM 1025 CA LYS A 230 -15.610 6.798 17.664 1.00 0.02 C ATOM 1026 C LYS A 230 -17.015 6.246 17.423 0.48 0.02 C ATOM 1027 O LYS A 230 -18.008 6.921 17.694 -0.48 0.02 O ATOM 1028 CB LYS A 230 -15.299 7.905 16.655 -0.20 0.02 C ATOM 1029 CG LYS A 230 -14.626 9.120 17.274 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.999 10.398 16.541 -0.20 0.02 C ATOM 1031 CE LYS A 230 -15.026 11.592 17.482 0.30 5.02 C ATOM 1032 NZ LYS A 230 -13.751 12.359 17.443 -0.81 0.02 N ATOM 0 H LYS A 230 -14.264 5.553 16.643 -0.36 0.02 H new ATOM 0 HA LYS A 230 -15.578 7.215 18.671 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -14.655 7.502 15.873 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -16.226 8.219 16.175 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -14.915 9.203 18.322 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -13.544 8.989 17.251 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -14.283 10.581 15.739 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -15.977 10.279 16.074 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -15.853 12.249 17.212 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -15.212 11.248 18.500 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -13.810 13.164 18.098 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -12.965 11.740 17.726 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -13.586 12.709 16.478 -0.81 0.02 H new ATOM 1046 N GLY A 231 -17.094 5.019 16.914 -0.36 0.02 N ATOM 1047 CA GLY A 231 -18.385 4.409 16.651 -0.10 0.02 C ATOM 1048 C GLY A 231 -19.188 5.177 15.620 0.48 0.02 C ATOM 1049 O GLY A 231 -20.263 5.696 15.920 -0.48 0.02 O ATOM 0 H GLY A 231 -16.289 4.438 16.680 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -18.237 3.386 16.304 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -18.952 4.351 17.580 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.663 5.251 14.401 -0.36 0.02 N ATOM 1054 CA PHE A 232 -19.334 5.963 13.321 1.00 0.02 C ATOM 1055 C PHE A 232 -19.664 5.035 12.146 0.48 0.02 C ATOM 1056 O PHE A 232 -20.278 3.987 12.338 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.497 7.147 12.868 -0.16 0.02 C ATOM 1058 CG PHE A 232 -17.051 6.874 12.631 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.151 6.856 13.681 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.584 6.703 11.344 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.806 6.657 13.449 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -15.246 6.518 11.105 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.351 6.491 12.156 -0.15 0.02 C ATOM 0 H PHE A 232 -17.774 4.826 14.137 -0.36 0.02 H new ATOM 0 HA PHE A 232 -20.282 6.338 13.706 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.928 7.540 11.947 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.579 7.933 13.619 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.504 6.999 14.691 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -17.278 6.715 10.517 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.111 6.631 14.276 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.892 6.393 10.092 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.298 6.341 11.967 -0.15 0.02 H new ATOM 1073 N LYS A 233 -19.287 5.429 10.926 -0.36 0.02 N ATOM 1074 CA LYS A 233 -19.577 4.633 9.743 1.00 0.02 C ATOM 1075 C LYS A 233 -18.579 4.913 8.621 0.48 0.02 C ATOM 1076 O LYS A 233 -18.104 6.035 8.464 -0.48 0.02 O ATOM 1077 CB LYS A 233 -20.977 4.969 9.259 -0.20 0.02 C ATOM 1078 CG LYS A 233 -22.048 4.009 9.752 -0.20 0.02 C ATOM 1079 CD LYS A 233 -23.415 4.672 9.793 -0.20 0.02 C ATOM 1080 CE LYS A 233 -24.086 4.649 8.429 0.30 5.02 C ATOM 1081 NZ LYS A 233 -24.574 3.287 8.073 -0.81 0.02 N ATOM 0 H LYS A 233 -18.781 6.294 10.738 -0.36 0.02 H new ATOM 0 HA LYS A 233 -19.501 3.579 10.009 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -21.230 5.978 9.584 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -20.982 4.974 8.169 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -22.085 3.137 9.099 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -21.786 3.651 10.748 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -24.047 4.161 10.519 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -23.311 5.703 10.131 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -24.923 5.347 8.424 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -23.381 4.991 7.672 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -25.237 3.353 7.274 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -23.767 2.688 7.804 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -25.059 2.867 8.891 -0.81 0.02 H new ATOM 1095 N LEU A 234 -18.274 3.890 7.832 -0.36 0.02 N ATOM 1096 CA LEU A 234 -17.345 4.042 6.719 1.00 0.02 C ATOM 1097 C LEU A 234 -18.030 4.736 5.544 0.48 0.02 C ATOM 1098 O LEU A 234 -18.985 4.206 4.977 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.810 2.669 6.284 -0.20 0.02 C ATOM 1100 CG LEU A 234 -16.293 2.574 4.840 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -15.350 3.725 4.515 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -15.599 1.237 4.612 -0.30 0.02 C ATOM 0 H LEU A 234 -18.655 2.950 7.941 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.508 4.658 7.047 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -16.001 2.386 6.958 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -17.604 1.934 6.414 -0.20 0.02 H new ATOM 0 HG LEU A 234 -17.150 2.644 4.170 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -15.001 3.630 3.487 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -15.877 4.672 4.633 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -14.496 3.698 5.192 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -15.238 1.185 3.585 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -14.757 1.143 5.298 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -16.305 0.426 4.790 -0.30 0.02 H new ATOM 1114 N ALA A 235 -17.565 5.940 5.209 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.166 6.716 4.124 1.00 0.02 C ATOM 1116 C ALA A 235 -18.350 5.882 2.855 0.48 0.02 C ATOM 1117 O ALA A 235 -18.107 4.676 2.843 -0.48 0.02 O ATOM 1118 CB ALA A 235 -17.319 7.939 3.818 -0.30 0.02 C ATOM 0 H ALA A 235 -16.778 6.397 5.670 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.154 7.031 4.461 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -17.778 8.507 3.009 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -17.250 8.566 4.707 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.320 7.624 3.518 -0.30 0.02 H new ATOM 1124 N GLN A 236 -18.810 6.537 1.795 -0.36 0.02 N ATOM 1125 CA GLN A 236 -19.069 5.866 0.525 1.00 0.02 C ATOM 1126 C GLN A 236 -17.822 5.735 -0.347 0.48 0.02 C ATOM 1127 O GLN A 236 -17.930 5.461 -1.542 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.159 6.611 -0.247 -0.20 0.02 C ATOM 1129 CG GLN A 236 -19.750 8.009 -0.681 -0.20 0.02 C ATOM 1130 CD GLN A 236 -20.940 8.893 -0.996 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -21.310 9.066 -2.157 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -21.547 9.460 0.041 -0.52 0.02 N ATOM 0 H GLN A 236 -19.012 7.537 1.790 -0.36 0.02 H new ATOM 0 HA GLN A 236 -19.399 4.856 0.766 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -20.429 6.030 -1.129 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -21.051 6.679 0.375 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -19.157 8.472 0.108 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -19.110 7.940 -1.561 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -21.207 9.289 0.987 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -22.353 10.066 -0.109 -0.52 0.02 H new ATOM 1141 N ASP A 237 -16.643 5.925 0.234 -0.36 0.02 N ATOM 1142 CA ASP A 237 -15.403 5.816 -0.533 1.00 0.02 C ATOM 1143 C ASP A 237 -14.708 4.479 -0.277 0.48 0.02 C ATOM 1144 O ASP A 237 -13.886 4.040 -1.080 -0.48 0.02 O ATOM 1145 CB ASP A 237 -14.450 6.969 -0.195 -0.45 0.02 C ATOM 1146 CG ASP A 237 -15.182 8.252 0.155 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -15.822 8.835 -0.745 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -15.113 8.674 1.329 -0.62 0.02 O ATOM 0 H ASP A 237 -16.517 6.152 1.220 -0.36 0.02 H new ATOM 0 HA ASP A 237 -15.667 5.872 -1.589 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -13.816 6.677 0.643 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -13.792 7.151 -1.044 -0.45 0.02 H new ATOM 1153 N GLN A 238 -15.028 3.848 0.856 -0.36 0.02 N ATOM 1154 CA GLN A 238 -14.427 2.564 1.238 1.00 0.02 C ATOM 1155 C GLN A 238 -12.980 2.740 1.710 0.48 0.02 C ATOM 1156 O GLN A 238 -12.395 1.831 2.299 -0.48 0.02 O ATOM 1157 CB GLN A 238 -14.486 1.560 0.080 -0.20 0.02 C ATOM 1158 CG GLN A 238 -15.759 0.730 0.062 -0.20 0.02 C ATOM 1159 CD GLN A 238 -15.767 -0.302 -1.050 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -16.066 -1.474 -0.822 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -15.438 0.131 -2.262 -0.52 0.02 N ATOM 0 H GLN A 238 -15.704 4.207 1.530 -0.36 0.02 H new ATOM 0 HA GLN A 238 -15.011 2.170 2.070 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -14.400 2.100 -0.863 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -13.627 0.892 0.144 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -15.873 0.226 1.022 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -16.618 1.391 -0.055 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -15.197 1.112 -2.405 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -15.426 -0.517 -3.049 -0.52 0.02 H new ATOM 1170 N LYS A 239 -12.416 3.918 1.457 -0.36 0.02 N ATOM 1171 CA LYS A 239 -11.050 4.219 1.864 1.00 0.02 C ATOM 1172 C LYS A 239 -11.049 5.271 2.969 0.48 0.02 C ATOM 1173 O LYS A 239 -10.213 5.240 3.871 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.231 4.710 0.668 -0.20 0.02 C ATOM 1175 CG LYS A 239 -10.740 6.015 0.076 -0.20 0.02 C ATOM 1176 CD LYS A 239 -9.932 7.204 0.571 -0.20 0.02 C ATOM 1177 CE LYS A 239 -10.655 8.516 0.313 0.30 5.02 C ATOM 1178 NZ LYS A 239 -9.725 9.678 0.337 -0.81 0.02 N ATOM 0 H LYS A 239 -12.887 4.681 0.970 -0.36 0.02 H new ATOM 0 HA LYS A 239 -10.593 3.306 2.246 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -9.194 4.841 0.978 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -10.238 3.943 -0.106 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -10.689 5.967 -1.012 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -11.789 6.151 0.340 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -9.741 7.096 1.639 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -8.962 7.218 0.074 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -11.154 8.471 -0.655 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -11.431 8.657 1.066 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -10.258 10.553 0.157 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -9.267 9.737 1.269 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -8.999 9.557 -0.398 -0.81 0.02 H new ATOM 1192 N SER A 240 -12.004 6.194 2.894 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.131 7.252 3.889 1.00 0.02 C ATOM 1194 C SER A 240 -13.005 6.785 5.049 0.48 0.02 C ATOM 1195 O SER A 240 -13.484 5.653 5.052 -0.48 0.02 O ATOM 1196 CB SER A 240 -12.725 8.513 3.255 0.08 0.02 C ATOM 1197 OG SER A 240 -11.742 9.524 3.115 -0.68 0.02 O ATOM 0 H SER A 240 -12.703 6.230 2.152 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.138 7.489 4.271 1.00 0.02 H new ATOM 0 HB2 SER A 240 -13.143 8.270 2.278 0.08 0.02 H new ATOM 0 HB3 SER A 240 -13.545 8.882 3.871 0.08 0.02 H new ATOM 0 HG SER A 240 -12.145 10.318 2.706 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.204 7.657 6.032 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.014 7.319 7.199 1.00 0.02 C ATOM 1205 C CYS A 241 -14.729 8.554 7.738 0.48 0.02 C ATOM 1206 O CYS A 241 -14.098 9.574 8.012 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.121 6.679 8.265 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.366 5.135 7.696 -0.20 0.02 S ATOM 0 H CYS A 241 -12.817 8.601 6.045 -0.36 0.02 H new ATOM 0 HA CYS A 241 -14.784 6.603 6.911 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -12.337 7.381 8.548 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.711 6.483 9.160 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.057 8.470 7.862 -0.36 0.02 N ATOM 1214 CA GLU A 242 -16.840 9.605 8.340 1.00 0.02 C ATOM 1215 C GLU A 242 -17.871 9.212 9.400 0.48 0.02 C ATOM 1216 O GLU A 242 -18.490 8.153 9.328 -0.48 0.02 O ATOM 1217 CB GLU A 242 -17.546 10.284 7.165 -0.20 0.02 C ATOM 1218 CG GLU A 242 -16.671 11.279 6.422 -0.45 0.02 C ATOM 1219 CD GLU A 242 -17.467 12.177 5.495 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -18.045 11.657 4.517 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -17.512 13.399 5.746 -0.62 0.02 O ATOM 0 H GLU A 242 -16.603 7.638 7.640 -0.36 0.02 H new ATOM 0 HA GLU A 242 -16.140 10.295 8.811 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -17.887 9.520 6.466 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -18.434 10.798 7.533 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -16.133 11.894 7.144 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -15.923 10.738 5.843 -0.45 0.02 H new ATOM 1228 N VAL A 243 -18.056 10.096 10.378 -0.36 0.02 N ATOM 1229 CA VAL A 243 -19.017 9.878 11.457 1.00 0.02 C ATOM 1230 C VAL A 243 -20.290 10.685 11.221 0.48 0.02 C ATOM 1231 O VAL A 243 -20.235 11.875 10.911 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.415 10.266 12.825 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -17.812 11.661 12.766 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.464 10.174 13.927 -0.30 0.02 C ATOM 0 H VAL A 243 -17.548 10.978 10.445 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.261 8.816 11.465 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.619 9.559 13.060 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -17.393 11.918 13.739 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -17.024 11.685 12.013 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -18.587 12.381 12.504 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.015 10.452 14.881 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.288 10.851 13.702 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -19.840 9.153 13.987 -0.30 0.02 H new