USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 442 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 Single : A 186 MET CE :methyl 156:sc= -0.0252 (180deg=-0.723) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= -1.66! C(o=-1.7!,f=-5.7!) USER MOD Single : A 192 THR OG1 : rot -33:sc= 0.303 USER MOD Single : A 195 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1.2) USER MOD Single : A 203 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.2!) USER MOD Single : A 205 TYR OH : rot 130:sc= -0.162 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc=-0.00316 K(o=-0.0032,f=-2!) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 SER OG : rot 180:sc= 0.00162 USER MOD Single : A 231 ASN :FLIP amide:sc= -0.113 F(o=-2.4!,f=-0.11) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= 0 USER MOD Single : A 236 LYS NZ :NH3+ -162:sc= -0.0599 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.465 0.247 -5.037 1.00 0.00 N ATOM 37 CA ILE A 182 -2.935 0.774 -3.797 1.00 0.00 C ATOM 38 C ILE A 182 -1.734 -0.049 -3.353 1.00 0.00 C ATOM 39 O ILE A 182 -1.802 -1.275 -3.255 1.00 0.00 O ATOM 40 CB ILE A 182 -3.993 0.821 -2.672 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.639 -0.549 -2.465 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.056 1.861 -2.986 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.609 -0.592 -1.307 1.00 0.00 C ATOM 0 HA ILE A 182 -2.627 1.802 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.488 1.101 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.162 -0.836 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.856 -1.289 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.793 1.881 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.590 2.842 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.548 1.606 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -6.028 -1.594 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -5.087 -0.336 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.413 0.124 -1.479 1.00 0.00 H new ATOM 55 N VAL A 183 -0.627 0.626 -3.095 1.00 0.00 N ATOM 56 CA VAL A 183 0.579 -0.048 -2.670 1.00 0.00 C ATOM 57 C VAL A 183 0.821 0.167 -1.182 1.00 0.00 C ATOM 58 O VAL A 183 0.878 1.300 -0.700 1.00 0.00 O ATOM 59 CB VAL A 183 1.809 0.407 -3.485 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.644 0.031 -4.944 1.00 0.00 C ATOM 61 CG2 VAL A 183 2.043 1.901 -3.366 1.00 0.00 C ATOM 0 H VAL A 183 -0.542 1.639 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 183 0.436 -1.113 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 183 2.679 -0.105 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.519 0.358 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.541 -1.051 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.753 0.514 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.917 2.180 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 183 1.170 2.437 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 183 2.210 2.161 -2.321 1.00 0.00 H new ATOM 71 N VAL A 184 0.950 -0.924 -0.456 1.00 0.00 N ATOM 72 CA VAL A 184 1.180 -0.861 0.970 1.00 0.00 C ATOM 73 C VAL A 184 2.680 -0.821 1.256 1.00 0.00 C ATOM 74 O VAL A 184 3.415 -1.730 0.868 1.00 0.00 O ATOM 75 CB VAL A 184 0.546 -2.078 1.675 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.578 -1.898 3.187 1.00 0.00 C ATOM 77 CG2 VAL A 184 -0.886 -2.311 1.179 1.00 0.00 C ATOM 0 H VAL A 184 0.899 -1.870 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 184 0.716 0.047 1.355 1.00 0.00 H new ATOM 0 HB VAL A 184 1.134 -2.962 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.126 -2.767 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.611 -1.796 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 184 0.019 -1.002 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.312 -3.174 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.492 -1.429 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -0.874 -2.495 0.105 1.00 0.00 H new ATOM 87 N ALA A 185 3.131 0.230 1.930 1.00 0.00 N ATOM 88 CA ALA A 185 4.543 0.375 2.262 1.00 0.00 C ATOM 89 C ALA A 185 4.958 -0.703 3.257 1.00 0.00 C ATOM 90 O ALA A 185 4.322 -0.878 4.298 1.00 0.00 O ATOM 91 CB ALA A 185 4.821 1.760 2.827 1.00 0.00 C ATOM 0 H ALA A 185 2.540 0.994 2.257 1.00 0.00 H new ATOM 0 HA ALA A 185 5.130 0.256 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.880 1.849 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.553 2.515 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.229 1.910 3.730 1.00 0.00 H new ATOM 97 N MET A 186 6.012 -1.430 2.922 1.00 0.00 N ATOM 98 CA MET A 186 6.508 -2.507 3.764 1.00 0.00 C ATOM 99 C MET A 186 7.591 -2.009 4.715 1.00 0.00 C ATOM 100 O MET A 186 7.621 -2.382 5.890 1.00 0.00 O ATOM 101 CB MET A 186 7.047 -3.632 2.874 1.00 0.00 C ATOM 102 CG MET A 186 7.733 -4.753 3.630 1.00 0.00 C ATOM 103 SD MET A 186 6.621 -5.627 4.756 1.00 0.00 S ATOM 104 CE MET A 186 5.516 -6.443 3.603 1.00 0.00 C ATOM 0 H MET A 186 6.545 -1.291 2.064 1.00 0.00 H new ATOM 0 HA MET A 186 5.688 -2.886 4.374 1.00 0.00 H new ATOM 0 HB2 MET A 186 6.222 -4.050 2.298 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.752 -3.207 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 186 8.151 -5.463 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 186 8.568 -4.343 4.198 1.00 0.00 H new ATOM 0 HE1 MET A 186 5.073 -7.317 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 186 4.726 -5.753 3.306 1.00 0.00 H new ATOM 0 HE3 MET A 186 6.076 -6.755 2.721 1.00 0.00 H new ATOM 114 N TYR A 187 8.485 -1.171 4.200 1.00 0.00 N ATOM 115 CA TYR A 187 9.573 -0.633 5.009 1.00 0.00 C ATOM 116 C TYR A 187 9.497 0.886 5.097 1.00 0.00 C ATOM 117 O TYR A 187 8.920 1.542 4.223 1.00 0.00 O ATOM 118 CB TYR A 187 10.936 -1.039 4.431 1.00 0.00 C ATOM 119 CG TYR A 187 11.117 -2.527 4.257 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.973 -3.398 5.329 1.00 0.00 C ATOM 121 CD2 TYR A 187 11.437 -3.060 3.018 1.00 0.00 C ATOM 122 CE1 TYR A 187 11.144 -4.758 5.170 1.00 0.00 C ATOM 123 CE2 TYR A 187 11.607 -4.418 2.847 1.00 0.00 C ATOM 124 CZ TYR A 187 11.459 -5.263 3.926 1.00 0.00 C ATOM 125 OH TYR A 187 11.628 -6.616 3.759 1.00 0.00 O ATOM 0 H TYR A 187 8.478 -0.851 3.231 1.00 0.00 H new ATOM 0 HA TYR A 187 9.467 -1.050 6.010 1.00 0.00 H new ATOM 0 HB2 TYR A 187 11.067 -0.553 3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.722 -0.663 5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.723 -3.004 6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 187 11.555 -2.400 2.171 1.00 0.00 H new ATOM 0 HE1 TYR A 187 11.032 -5.422 6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 187 11.854 -4.817 1.874 1.00 0.00 H new ATOM 0 HH TYR A 187 11.845 -6.805 2.822 1.00 0.00 H new ATOM 135 N ASP A 188 10.097 1.441 6.146 1.00 0.00 N ATOM 136 CA ASP A 188 10.110 2.887 6.342 1.00 0.00 C ATOM 137 C ASP A 188 11.151 3.537 5.448 1.00 0.00 C ATOM 138 O ASP A 188 12.244 3.001 5.252 1.00 0.00 O ATOM 139 CB ASP A 188 10.396 3.260 7.803 1.00 0.00 C ATOM 140 CG ASP A 188 9.280 2.874 8.744 1.00 0.00 C ATOM 141 OD1 ASP A 188 8.320 2.216 8.300 1.00 0.00 O ATOM 142 OD2 ASP A 188 9.371 3.222 9.936 1.00 0.00 O ATOM 0 H ASP A 188 10.580 0.912 6.872 1.00 0.00 H new ATOM 0 HA ASP A 188 9.118 3.255 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 188 11.317 2.772 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 188 10.564 4.335 7.871 1.00 0.00 H new ATOM 147 N PHE A 189 10.805 4.694 4.919 1.00 0.00 N ATOM 148 CA PHE A 189 11.688 5.453 4.043 1.00 0.00 C ATOM 149 C PHE A 189 11.537 6.934 4.359 1.00 0.00 C ATOM 150 O PHE A 189 10.417 7.434 4.465 1.00 0.00 O ATOM 151 CB PHE A 189 11.330 5.179 2.569 1.00 0.00 C ATOM 152 CG PHE A 189 12.192 5.892 1.555 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.495 6.267 1.856 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.696 6.182 0.294 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.276 6.918 0.921 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.477 6.833 -0.643 1.00 0.00 C ATOM 157 CZ PHE A 189 13.765 7.203 -0.329 1.00 0.00 C ATOM 0 H PHE A 189 9.902 5.139 5.082 1.00 0.00 H new ATOM 0 HA PHE A 189 12.722 5.150 4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.397 4.106 2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.291 5.465 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 189 13.902 6.047 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.686 5.896 0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.288 7.204 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.076 7.051 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.374 7.715 -1.059 1.00 0.00 H new ATOM 167 N GLN A 190 12.643 7.639 4.520 1.00 0.00 N ATOM 168 CA GLN A 190 12.571 9.058 4.824 1.00 0.00 C ATOM 169 C GLN A 190 13.042 9.894 3.641 1.00 0.00 C ATOM 170 O GLN A 190 14.044 9.582 3.000 1.00 0.00 O ATOM 171 CB GLN A 190 13.382 9.397 6.075 1.00 0.00 C ATOM 172 CG GLN A 190 13.171 10.825 6.557 1.00 0.00 C ATOM 173 CD GLN A 190 11.740 11.099 6.993 1.00 0.00 C ATOM 174 OE1 GLN A 190 10.786 10.866 6.246 1.00 0.00 O ATOM 175 NE2 GLN A 190 11.587 11.613 8.199 1.00 0.00 N ATOM 0 H GLN A 190 13.587 7.261 4.447 1.00 0.00 H new ATOM 0 HA GLN A 190 11.527 9.300 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.111 8.707 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 190 14.441 9.243 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 190 13.844 11.024 7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 190 13.440 11.516 5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 190 12.403 11.790 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 190 10.653 11.833 8.545 1.00 0.00 H new ATOM 184 N ALA A 191 12.316 10.968 3.369 1.00 0.00 N ATOM 185 CA ALA A 191 12.660 11.864 2.277 1.00 0.00 C ATOM 186 C ALA A 191 13.376 13.088 2.811 1.00 0.00 C ATOM 187 O ALA A 191 13.022 13.604 3.872 1.00 0.00 O ATOM 188 CB ALA A 191 11.420 12.284 1.501 1.00 0.00 C ATOM 0 H ALA A 191 11.483 11.240 3.891 1.00 0.00 H new ATOM 0 HA ALA A 191 13.323 11.329 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 191 11.707 12.954 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.934 11.401 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 191 10.730 12.799 2.169 1.00 0.00 H new ATOM 194 N THR A 192 14.374 13.553 2.081 1.00 0.00 N ATOM 195 CA THR A 192 15.126 14.729 2.490 1.00 0.00 C ATOM 196 C THR A 192 14.941 15.844 1.461 1.00 0.00 C ATOM 197 O THR A 192 15.458 16.954 1.616 1.00 0.00 O ATOM 198 CB THR A 192 16.614 14.366 2.661 1.00 0.00 C ATOM 199 OG1 THR A 192 17.354 15.461 3.179 1.00 0.00 O ATOM 200 CG2 THR A 192 17.284 13.927 1.377 1.00 0.00 C ATOM 0 H THR A 192 14.683 13.136 1.203 1.00 0.00 H new ATOM 0 HA THR A 192 14.753 15.087 3.450 1.00 0.00 H new ATOM 0 HB THR A 192 16.616 13.527 3.357 1.00 0.00 H new ATOM 0 HG1 THR A 192 16.969 16.300 2.851 1.00 0.00 H new ATOM 0 HG21 THR A 192 18.329 13.688 1.575 1.00 0.00 H new ATOM 0 HG22 THR A 192 16.778 13.045 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 192 17.229 14.732 0.644 1.00 0.00 H new ATOM 208 N GLU A 193 14.199 15.535 0.404 1.00 0.00 N ATOM 209 CA GLU A 193 13.944 16.494 -0.657 1.00 0.00 C ATOM 210 C GLU A 193 12.444 16.693 -0.879 1.00 0.00 C ATOM 211 O GLU A 193 11.762 17.258 -0.026 1.00 0.00 O ATOM 212 CB GLU A 193 14.647 16.042 -1.942 1.00 0.00 C ATOM 213 CG GLU A 193 16.164 16.085 -1.828 1.00 0.00 C ATOM 214 CD GLU A 193 16.863 15.534 -3.044 1.00 0.00 C ATOM 215 OE1 GLU A 193 16.847 14.301 -3.235 1.00 0.00 O ATOM 216 OE2 GLU A 193 17.419 16.336 -3.816 1.00 0.00 O ATOM 0 H GLU A 193 13.763 14.624 0.261 1.00 0.00 H new ATOM 0 HA GLU A 193 14.350 17.461 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 193 14.334 15.027 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 193 14.331 16.679 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 193 16.482 17.116 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 193 16.473 15.517 -0.950 1.00 0.00 H new ATOM 223 N ALA A 194 11.934 16.238 -2.019 1.00 0.00 N ATOM 224 CA ALA A 194 10.517 16.395 -2.327 1.00 0.00 C ATOM 225 C ALA A 194 10.013 15.329 -3.290 1.00 0.00 C ATOM 226 O ALA A 194 8.974 14.716 -3.046 1.00 0.00 O ATOM 227 CB ALA A 194 10.255 17.777 -2.908 1.00 0.00 C ATOM 0 H ALA A 194 12.476 15.761 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 194 9.971 16.278 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 194 9.194 17.882 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 194 10.549 18.538 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 194 10.835 17.903 -3.823 1.00 0.00 H new ATOM 233 N HIS A 195 10.735 15.118 -4.395 1.00 0.00 N ATOM 234 CA HIS A 195 10.328 14.125 -5.392 1.00 0.00 C ATOM 235 C HIS A 195 10.296 12.725 -4.785 1.00 0.00 C ATOM 236 O HIS A 195 9.442 11.911 -5.139 1.00 0.00 O ATOM 237 CB HIS A 195 11.242 14.152 -6.626 1.00 0.00 C ATOM 238 CG HIS A 195 12.685 13.867 -6.335 1.00 0.00 C ATOM 239 ND1 HIS A 195 13.507 14.739 -5.655 1.00 0.00 N ATOM 240 CD2 HIS A 195 13.440 12.777 -6.603 1.00 0.00 C ATOM 241 CE1 HIS A 195 14.701 14.197 -5.520 1.00 0.00 C ATOM 242 NE2 HIS A 195 14.689 13.004 -6.084 1.00 0.00 N ATOM 0 H HIS A 195 11.596 15.617 -4.620 1.00 0.00 H new ATOM 0 HA HIS A 195 9.321 14.387 -5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 195 10.878 13.421 -7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 195 11.166 15.132 -7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 195 13.118 11.890 -7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 195 15.548 14.653 -5.029 1.00 0.00 H new ATOM 0 HE2 HIS A 195 15.477 12.358 -6.127 1.00 0.00 H new ATOM 251 N ASP A 196 11.210 12.462 -3.857 1.00 0.00 N ATOM 252 CA ASP A 196 11.259 11.175 -3.177 1.00 0.00 C ATOM 253 C ASP A 196 10.134 11.109 -2.167 1.00 0.00 C ATOM 254 O ASP A 196 10.062 11.934 -1.256 1.00 0.00 O ATOM 255 CB ASP A 196 12.594 10.974 -2.448 1.00 0.00 C ATOM 256 CG ASP A 196 13.747 10.654 -3.370 1.00 0.00 C ATOM 257 OD1 ASP A 196 13.521 10.473 -4.580 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.890 10.576 -2.874 1.00 0.00 O ATOM 0 H ASP A 196 11.927 13.124 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 196 11.156 10.389 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.830 11.877 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 196 12.485 10.167 -1.724 1.00 0.00 H new ATOM 263 N LEU A 197 9.249 10.149 -2.325 1.00 0.00 N ATOM 264 CA LEU A 197 8.133 10.015 -1.408 1.00 0.00 C ATOM 265 C LEU A 197 8.504 9.111 -0.246 1.00 0.00 C ATOM 266 O LEU A 197 8.930 7.971 -0.443 1.00 0.00 O ATOM 267 CB LEU A 197 6.899 9.484 -2.132 1.00 0.00 C ATOM 268 CG LEU A 197 5.669 10.404 -2.077 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.874 10.157 -0.809 1.00 0.00 C ATOM 270 CD2 LEU A 197 6.095 11.867 -2.156 1.00 0.00 C ATOM 0 H LEU A 197 9.277 9.455 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 197 7.895 11.002 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 197 7.156 9.308 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.632 8.518 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 197 5.034 10.178 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 197 4.007 10.818 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.540 9.120 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 197 5.503 10.356 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 197 5.213 12.506 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 197 6.751 12.101 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.627 12.041 -3.092 1.00 0.00 H new ATOM 282 N ARG A 198 8.352 9.631 0.963 1.00 0.00 N ATOM 283 CA ARG A 198 8.686 8.879 2.163 1.00 0.00 C ATOM 284 C ARG A 198 7.680 7.762 2.420 1.00 0.00 C ATOM 285 O ARG A 198 6.525 7.827 1.986 1.00 0.00 O ATOM 286 CB ARG A 198 8.815 9.823 3.362 1.00 0.00 C ATOM 287 CG ARG A 198 7.545 10.578 3.737 1.00 0.00 C ATOM 288 CD ARG A 198 6.697 9.791 4.721 1.00 0.00 C ATOM 289 NE ARG A 198 7.494 9.245 5.820 1.00 0.00 N ATOM 290 CZ ARG A 198 6.976 8.696 6.915 1.00 0.00 C ATOM 291 NH1 ARG A 198 5.662 8.581 7.058 1.00 0.00 N ATOM 292 NH2 ARG A 198 7.785 8.227 7.847 1.00 0.00 N ATOM 0 H ARG A 198 7.999 10.572 1.139 1.00 0.00 H new ATOM 0 HA ARG A 198 9.652 8.398 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 198 9.142 9.244 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 198 9.600 10.549 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 198 7.809 11.542 4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.964 10.783 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 198 5.918 10.437 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 198 6.196 8.977 4.197 1.00 0.00 H new ATOM 0 HE ARG A 198 8.510 9.288 5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 198 5.038 8.915 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 198 5.276 8.158 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 198 8.796 8.288 7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 198 7.399 7.804 8.691 1.00 0.00 H new ATOM 306 N LEU A 199 8.138 6.719 3.097 1.00 0.00 N ATOM 307 CA LEU A 199 7.301 5.562 3.371 1.00 0.00 C ATOM 308 C LEU A 199 7.243 5.213 4.854 1.00 0.00 C ATOM 309 O LEU A 199 8.186 5.455 5.604 1.00 0.00 O ATOM 310 CB LEU A 199 7.856 4.368 2.603 1.00 0.00 C ATOM 311 CG LEU A 199 7.992 4.575 1.098 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.777 3.440 0.470 1.00 0.00 C ATOM 313 CD2 LEU A 199 6.634 4.701 0.445 1.00 0.00 C ATOM 0 H LEU A 199 9.086 6.651 3.467 1.00 0.00 H new ATOM 0 HA LEU A 199 6.287 5.806 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.836 4.117 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.208 3.509 2.779 1.00 0.00 H new ATOM 0 HG LEU A 199 8.537 5.505 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 199 8.862 3.607 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 199 9.773 3.399 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.261 2.497 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.758 4.848 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 199 6.059 3.792 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.104 5.554 0.869 1.00 0.00 H new ATOM 325 N GLU A 200 6.138 4.589 5.242 1.00 0.00 N ATOM 326 CA GLU A 200 5.935 4.138 6.611 1.00 0.00 C ATOM 327 C GLU A 200 5.217 2.796 6.569 1.00 0.00 C ATOM 328 O GLU A 200 4.185 2.673 5.906 1.00 0.00 O ATOM 329 CB GLU A 200 5.125 5.154 7.427 1.00 0.00 C ATOM 330 CG GLU A 200 5.021 4.800 8.904 1.00 0.00 C ATOM 331 CD GLU A 200 4.316 5.857 9.721 1.00 0.00 C ATOM 332 OE1 GLU A 200 3.115 6.071 9.500 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.963 6.470 10.592 1.00 0.00 O ATOM 0 H GLU A 200 5.359 4.382 4.617 1.00 0.00 H new ATOM 0 HA GLU A 200 6.903 4.036 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 200 5.585 6.137 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.122 5.228 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 200 4.489 3.855 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 200 6.023 4.647 9.306 1.00 0.00 H new ATOM 340 N ARG A 201 5.764 1.792 7.249 1.00 0.00 N ATOM 341 CA ARG A 201 5.162 0.459 7.257 1.00 0.00 C ATOM 342 C ARG A 201 3.709 0.505 7.729 1.00 0.00 C ATOM 343 O ARG A 201 3.398 1.023 8.809 1.00 0.00 O ATOM 344 CB ARG A 201 5.978 -0.511 8.118 1.00 0.00 C ATOM 345 CG ARG A 201 6.237 -0.025 9.528 1.00 0.00 C ATOM 346 CD ARG A 201 7.037 -1.048 10.315 1.00 0.00 C ATOM 347 NE ARG A 201 7.247 -0.637 11.699 1.00 0.00 N ATOM 348 CZ ARG A 201 7.916 -1.370 12.590 1.00 0.00 C ATOM 349 NH1 ARG A 201 8.434 -2.536 12.224 1.00 0.00 N ATOM 350 NH2 ARG A 201 8.044 -0.946 13.844 1.00 0.00 N ATOM 0 H ARG A 201 6.619 1.874 7.800 1.00 0.00 H new ATOM 0 HA ARG A 201 5.170 0.093 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.454 -1.465 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 201 6.934 -0.697 7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 201 6.778 0.921 9.497 1.00 0.00 H new ATOM 0 HG3 ARG A 201 5.289 0.166 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 201 6.517 -2.006 10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.002 -1.201 9.833 1.00 0.00 H new ATOM 0 HE ARG A 201 6.862 0.258 12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 201 8.319 -2.867 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 201 8.947 -3.101 12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 201 7.630 -0.058 14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 201 8.556 -1.509 14.523 1.00 0.00 H new ATOM 364 N GLY A 202 2.822 -0.026 6.895 1.00 0.00 N ATOM 365 CA GLY A 202 1.408 -0.032 7.214 1.00 0.00 C ATOM 366 C GLY A 202 0.642 1.042 6.463 1.00 0.00 C ATOM 367 O GLY A 202 -0.589 1.091 6.520 1.00 0.00 O ATOM 0 H GLY A 202 3.059 -0.454 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 202 0.988 -1.009 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.279 0.116 8.286 1.00 0.00 H new ATOM 371 N GLN A 203 1.363 1.912 5.760 1.00 0.00 N ATOM 372 CA GLN A 203 0.726 2.982 5.005 1.00 0.00 C ATOM 373 C GLN A 203 0.335 2.503 3.616 1.00 0.00 C ATOM 374 O GLN A 203 1.158 1.957 2.884 1.00 0.00 O ATOM 375 CB GLN A 203 1.660 4.184 4.889 1.00 0.00 C ATOM 376 CG GLN A 203 1.001 5.512 5.230 1.00 0.00 C ATOM 377 CD GLN A 203 0.747 5.658 6.713 1.00 0.00 C ATOM 378 OE1 GLN A 203 0.046 4.848 7.320 1.00 0.00 O ATOM 379 NE2 GLN A 203 1.318 6.692 7.302 1.00 0.00 N ATOM 0 H GLN A 203 2.381 1.896 5.699 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.175 3.281 5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.514 4.033 5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.048 4.233 3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.637 6.329 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.057 5.597 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.891 7.337 6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.187 6.846 8.302 1.00 0.00 H new ATOM 388 N GLU A 204 -0.917 2.728 3.260 1.00 0.00 N ATOM 389 CA GLU A 204 -1.426 2.338 1.955 1.00 0.00 C ATOM 390 C GLU A 204 -1.488 3.544 1.036 1.00 0.00 C ATOM 391 O GLU A 204 -2.284 4.458 1.240 1.00 0.00 O ATOM 392 CB GLU A 204 -2.805 1.707 2.096 1.00 0.00 C ATOM 393 CG GLU A 204 -2.797 0.456 2.950 1.00 0.00 C ATOM 394 CD GLU A 204 -4.181 -0.038 3.282 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.952 -0.325 2.347 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.498 -0.145 4.484 1.00 0.00 O ATOM 0 H GLU A 204 -1.605 3.182 3.860 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.750 1.602 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.489 2.435 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -3.190 1.462 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -2.252 -0.330 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.257 0.658 3.875 1.00 0.00 H new ATOM 403 N TYR A 205 -0.634 3.542 0.030 1.00 0.00 N ATOM 404 CA TYR A 205 -0.575 4.634 -0.929 1.00 0.00 C ATOM 405 C TYR A 205 -1.289 4.253 -2.212 1.00 0.00 C ATOM 406 O TYR A 205 -1.525 3.082 -2.470 1.00 0.00 O ATOM 407 CB TYR A 205 0.875 4.985 -1.252 1.00 0.00 C ATOM 408 CG TYR A 205 1.691 5.388 -0.047 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.428 6.570 0.634 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.729 4.587 0.410 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.177 6.939 1.732 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.481 4.953 1.511 1.00 0.00 C ATOM 413 CZ TYR A 205 3.203 6.132 2.165 1.00 0.00 C ATOM 414 OH TYR A 205 3.961 6.509 3.248 1.00 0.00 O ATOM 0 H TYR A 205 0.034 2.791 -0.147 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.066 5.499 -0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.349 4.127 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.889 5.799 -1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.625 7.210 0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 205 2.953 3.663 -0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.958 7.860 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.283 4.317 1.856 1.00 0.00 H new ATOM 0 HH TYR A 205 4.016 5.765 3.884 1.00 0.00 H new ATOM 424 N ILE A 206 -1.623 5.236 -3.023 1.00 0.00 N ATOM 425 CA ILE A 206 -2.297 4.969 -4.283 1.00 0.00 C ATOM 426 C ILE A 206 -1.353 5.253 -5.439 1.00 0.00 C ATOM 427 O ILE A 206 -1.052 6.410 -5.729 1.00 0.00 O ATOM 428 CB ILE A 206 -3.588 5.813 -4.451 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.452 5.754 -3.186 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.400 5.328 -5.646 1.00 0.00 C ATOM 431 CD1 ILE A 206 -4.057 6.749 -2.112 1.00 0.00 C ATOM 0 H ILE A 206 -1.441 6.222 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.588 3.918 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.285 6.846 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.492 5.929 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.398 4.748 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.300 5.934 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.802 5.417 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.679 4.285 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.719 6.639 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -3.028 6.562 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -4.139 7.762 -2.506 1.00 0.00 H new ATOM 443 N ILE A 207 -0.867 4.196 -6.080 1.00 0.00 N ATOM 444 CA ILE A 207 0.055 4.349 -7.188 1.00 0.00 C ATOM 445 C ILE A 207 -0.638 4.953 -8.404 1.00 0.00 C ATOM 446 O ILE A 207 -1.608 4.403 -8.933 1.00 0.00 O ATOM 447 CB ILE A 207 0.735 3.009 -7.557 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.370 3.093 -8.942 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.241 1.849 -7.481 1.00 0.00 C ATOM 450 CD1 ILE A 207 2.049 1.822 -9.384 1.00 0.00 C ATOM 0 H ILE A 207 -1.098 3.230 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 207 0.835 5.038 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 207 1.522 2.824 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 207 0.600 3.353 -9.668 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.099 3.903 -8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.271 0.924 -7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -0.632 1.769 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -1.064 2.020 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.475 1.963 -10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 207 2.843 1.571 -8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.321 1.012 -9.413 1.00 0.00 H new ATOM 462 N LEU A 208 -0.120 6.095 -8.836 1.00 0.00 N ATOM 463 CA LEU A 208 -0.651 6.808 -9.985 1.00 0.00 C ATOM 464 C LEU A 208 0.064 6.381 -11.250 1.00 0.00 C ATOM 465 O LEU A 208 -0.555 6.212 -12.303 1.00 0.00 O ATOM 466 CB LEU A 208 -0.511 8.333 -9.815 1.00 0.00 C ATOM 467 CG LEU A 208 0.745 8.835 -9.080 1.00 0.00 C ATOM 468 CD1 LEU A 208 1.057 10.265 -9.466 1.00 0.00 C ATOM 469 CD2 LEU A 208 0.527 8.760 -7.583 1.00 0.00 C ATOM 0 H LEU A 208 0.680 6.551 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.710 6.561 -10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 208 -0.531 8.789 -10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -1.387 8.697 -9.279 1.00 0.00 H new ATOM 0 HG LEU A 208 1.585 8.201 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 208 1.948 10.599 -8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 208 1.232 10.322 -10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.215 10.905 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 208 1.419 9.116 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -0.325 9.382 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 208 0.330 7.727 -7.295 1.00 0.00 H new ATOM 481 N GLU A 209 1.374 6.219 -11.143 1.00 0.00 N ATOM 482 CA GLU A 209 2.189 5.829 -12.283 1.00 0.00 C ATOM 483 C GLU A 209 3.231 4.809 -11.854 1.00 0.00 C ATOM 484 O GLU A 209 3.561 4.715 -10.672 1.00 0.00 O ATOM 485 CB GLU A 209 2.907 7.051 -12.856 1.00 0.00 C ATOM 486 CG GLU A 209 2.042 8.297 -12.940 1.00 0.00 C ATOM 487 CD GLU A 209 2.835 9.513 -13.334 1.00 0.00 C ATOM 488 OE1 GLU A 209 3.372 9.533 -14.454 1.00 0.00 O ATOM 489 OE2 GLU A 209 2.933 10.446 -12.519 1.00 0.00 O ATOM 0 H GLU A 209 1.896 6.352 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 209 1.537 5.395 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 209 3.779 7.268 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 209 3.274 6.809 -13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.244 8.135 -13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 209 1.566 8.473 -11.975 1.00 0.00 H new ATOM 496 N LYS A 210 3.780 4.083 -12.813 1.00 0.00 N ATOM 497 CA LYS A 210 4.821 3.117 -12.509 1.00 0.00 C ATOM 498 C LYS A 210 6.145 3.639 -13.031 1.00 0.00 C ATOM 499 O LYS A 210 7.124 3.666 -12.301 1.00 0.00 O ATOM 500 CB LYS A 210 4.513 1.732 -13.092 1.00 0.00 C ATOM 501 CG LYS A 210 5.663 0.744 -12.915 1.00 0.00 C ATOM 502 CD LYS A 210 5.208 -0.701 -13.035 1.00 0.00 C ATOM 503 CE LYS A 210 4.542 -0.970 -14.372 1.00 0.00 C ATOM 504 NZ LYS A 210 3.949 -2.329 -14.428 1.00 0.00 N ATOM 0 H LYS A 210 3.525 4.143 -13.799 1.00 0.00 H new ATOM 0 HA LYS A 210 4.872 2.994 -11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.620 1.332 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 210 4.287 1.832 -14.154 1.00 0.00 H new ATOM 0 HG2 LYS A 210 6.429 0.944 -13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 210 6.123 0.897 -11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 210 6.065 -1.364 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 210 4.512 -0.932 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 210 3.764 -0.227 -14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 210 5.274 -0.860 -15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 3.504 -2.475 -15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 4.695 -3.039 -14.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 3.232 -2.426 -13.681 1.00 0.00 H new ATOM 518 N ASN A 211 6.147 4.073 -14.294 1.00 0.00 N ATOM 519 CA ASN A 211 7.344 4.619 -14.933 1.00 0.00 C ATOM 520 C ASN A 211 8.437 3.554 -14.964 1.00 0.00 C ATOM 521 O ASN A 211 8.445 2.686 -15.842 1.00 0.00 O ATOM 522 CB ASN A 211 7.810 5.884 -14.194 1.00 0.00 C ATOM 523 CG ASN A 211 8.846 6.672 -14.971 1.00 0.00 C ATOM 524 OD1 ASN A 211 9.972 6.221 -15.167 1.00 0.00 O ATOM 525 ND2 ASN A 211 8.471 7.860 -15.428 1.00 0.00 N ATOM 0 H ASN A 211 5.325 4.056 -14.897 1.00 0.00 H new ATOM 0 HA ASN A 211 7.114 4.903 -15.960 1.00 0.00 H new ATOM 0 HB2 ASN A 211 6.948 6.522 -13.997 1.00 0.00 H new ATOM 0 HB3 ASN A 211 8.226 5.602 -13.227 1.00 0.00 H new ATOM 0 HD21 ASN A 211 9.126 8.431 -15.962 1.00 0.00 H new ATOM 0 HD22 ASN A 211 7.527 8.202 -15.246 1.00 0.00 H new ATOM 532 N ASP A 212 9.321 3.592 -13.979 1.00 0.00 N ATOM 533 CA ASP A 212 10.377 2.606 -13.865 1.00 0.00 C ATOM 534 C ASP A 212 9.916 1.484 -12.958 1.00 0.00 C ATOM 535 O ASP A 212 9.161 1.715 -12.018 1.00 0.00 O ATOM 536 CB ASP A 212 11.657 3.241 -13.314 1.00 0.00 C ATOM 537 CG ASP A 212 12.548 3.786 -14.405 1.00 0.00 C ATOM 538 OD1 ASP A 212 12.275 3.507 -15.588 1.00 0.00 O ATOM 539 OD2 ASP A 212 13.536 4.469 -14.077 1.00 0.00 O ATOM 0 H ASP A 212 9.325 4.300 -13.245 1.00 0.00 H new ATOM 0 HA ASP A 212 10.599 2.207 -14.855 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.393 4.046 -12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 212 12.208 2.498 -12.737 1.00 0.00 H new ATOM 544 N LEU A 213 10.360 0.269 -13.232 1.00 0.00 N ATOM 545 CA LEU A 213 9.964 -0.871 -12.419 1.00 0.00 C ATOM 546 C LEU A 213 10.532 -0.752 -11.007 1.00 0.00 C ATOM 547 O LEU A 213 10.073 -1.426 -10.086 1.00 0.00 O ATOM 548 CB LEU A 213 10.417 -2.179 -13.066 1.00 0.00 C ATOM 549 CG LEU A 213 10.016 -2.350 -14.531 1.00 0.00 C ATOM 550 CD1 LEU A 213 10.588 -3.637 -15.095 1.00 0.00 C ATOM 551 CD2 LEU A 213 8.505 -2.334 -14.680 1.00 0.00 C ATOM 0 H LEU A 213 10.989 0.046 -14.003 1.00 0.00 H new ATOM 0 HA LEU A 213 8.876 -0.877 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.502 -2.246 -12.992 1.00 0.00 H new ATOM 0 HB3 LEU A 213 10.007 -3.011 -12.494 1.00 0.00 H new ATOM 0 HG LEU A 213 10.427 -1.512 -15.095 1.00 0.00 H new ATOM 0 HD11 LEU A 213 10.291 -3.740 -16.139 1.00 0.00 H new ATOM 0 HD12 LEU A 213 11.676 -3.612 -15.028 1.00 0.00 H new ATOM 0 HD13 LEU A 213 10.209 -4.485 -14.524 1.00 0.00 H new ATOM 0 HD21 LEU A 213 8.242 -2.457 -15.731 1.00 0.00 H new ATOM 0 HD22 LEU A 213 8.074 -3.150 -14.100 1.00 0.00 H new ATOM 0 HD23 LEU A 213 8.114 -1.384 -14.317 1.00 0.00 H new ATOM 563 N HIS A 214 11.527 0.113 -10.847 1.00 0.00 N ATOM 564 CA HIS A 214 12.160 0.330 -9.551 1.00 0.00 C ATOM 565 C HIS A 214 11.623 1.601 -8.904 1.00 0.00 C ATOM 566 O HIS A 214 11.406 1.656 -7.689 1.00 0.00 O ATOM 567 CB HIS A 214 13.682 0.453 -9.707 1.00 0.00 C ATOM 568 CG HIS A 214 14.277 -0.538 -10.656 1.00 0.00 C ATOM 569 ND1 HIS A 214 14.249 -1.898 -10.441 1.00 0.00 N ATOM 570 CD2 HIS A 214 14.887 -0.358 -11.853 1.00 0.00 C ATOM 571 CE1 HIS A 214 14.811 -2.513 -11.470 1.00 0.00 C ATOM 572 NE2 HIS A 214 15.207 -1.601 -12.343 1.00 0.00 N ATOM 0 H HIS A 214 11.914 0.678 -11.603 1.00 0.00 H new ATOM 0 HA HIS A 214 11.930 -0.527 -8.918 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.922 1.459 -10.051 1.00 0.00 H new ATOM 0 HB3 HIS A 214 14.148 0.330 -8.730 1.00 0.00 H new ATOM 0 HD2 HIS A 214 15.085 0.589 -12.333 1.00 0.00 H new ATOM 0 HE1 HIS A 214 14.927 -3.581 -11.579 1.00 0.00 H new ATOM 0 HE2 HIS A 214 15.672 -1.789 -13.231 1.00 0.00 H new ATOM 581 N TRP A 215 11.424 2.620 -9.729 1.00 0.00 N ATOM 582 CA TRP A 215 10.928 3.908 -9.270 1.00 0.00 C ATOM 583 C TRP A 215 9.475 4.126 -9.666 1.00 0.00 C ATOM 584 O TRP A 215 9.197 4.677 -10.732 1.00 0.00 O ATOM 585 CB TRP A 215 11.778 5.036 -9.849 1.00 0.00 C ATOM 586 CG TRP A 215 13.106 5.187 -9.175 1.00 0.00 C ATOM 587 CD1 TRP A 215 14.284 4.575 -9.490 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.368 5.992 -8.030 1.00 0.00 C ATOM 589 NE1 TRP A 215 15.272 4.986 -8.620 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.725 5.851 -7.710 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.572 6.828 -7.253 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.307 6.520 -6.637 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.141 7.486 -6.191 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.497 7.333 -5.888 1.00 0.00 C ATOM 0 H TRP A 215 11.602 2.576 -10.732 1.00 0.00 H new ATOM 0 HA TRP A 215 10.993 3.912 -8.182 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.937 4.852 -10.912 1.00 0.00 H new ATOM 0 HB3 TRP A 215 11.229 5.974 -9.767 1.00 0.00 H new ATOM 0 HD1 TRP A 215 14.422 3.874 -10.300 1.00 0.00 H new ATOM 0 HE1 TRP A 215 16.249 4.694 -8.649 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.524 6.957 -7.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.355 6.403 -6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.530 8.133 -5.579 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.915 7.866 -5.047 1.00 0.00 H new ATOM 605 N TRP A 216 8.562 3.718 -8.793 1.00 0.00 N ATOM 606 CA TRP A 216 7.129 3.886 -9.036 1.00 0.00 C ATOM 607 C TRP A 216 6.678 5.282 -8.613 1.00 0.00 C ATOM 608 O TRP A 216 7.498 6.129 -8.268 1.00 0.00 O ATOM 609 CB TRP A 216 6.321 2.846 -8.252 1.00 0.00 C ATOM 610 CG TRP A 216 6.492 1.425 -8.716 1.00 0.00 C ATOM 611 CD1 TRP A 216 7.429 0.931 -9.582 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.690 0.306 -8.318 1.00 0.00 C ATOM 613 NE1 TRP A 216 7.257 -0.426 -9.739 1.00 0.00 N ATOM 614 CE2 TRP A 216 6.194 -0.832 -8.976 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.591 0.161 -7.471 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.638 -2.097 -8.811 1.00 0.00 C ATOM 617 CZ3 TRP A 216 4.040 -1.094 -7.305 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.563 -2.210 -7.973 1.00 0.00 C ATOM 0 H TRP A 216 8.787 3.266 -7.906 1.00 0.00 H new ATOM 0 HA TRP A 216 6.954 3.751 -10.103 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.604 2.905 -7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.265 3.108 -8.313 1.00 0.00 H new ATOM 0 HD1 TRP A 216 8.192 1.519 -10.071 1.00 0.00 H new ATOM 0 HE1 TRP A 216 7.829 -1.031 -10.328 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.179 1.015 -6.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 6.040 -2.957 -9.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 3.191 -1.218 -6.649 1.00 0.00 H new ATOM 0 HH2 TRP A 216 4.108 -3.178 -7.823 1.00 0.00 H new ATOM 629 N ARG A 217 5.369 5.515 -8.623 1.00 0.00 N ATOM 630 CA ARG A 217 4.814 6.802 -8.219 1.00 0.00 C ATOM 631 C ARG A 217 3.483 6.585 -7.514 1.00 0.00 C ATOM 632 O ARG A 217 2.537 6.080 -8.116 1.00 0.00 O ATOM 633 CB ARG A 217 4.631 7.716 -9.432 1.00 0.00 C ATOM 634 CG ARG A 217 4.366 9.166 -9.071 1.00 0.00 C ATOM 635 CD ARG A 217 5.225 10.085 -9.917 1.00 0.00 C ATOM 636 NE ARG A 217 5.289 11.452 -9.391 1.00 0.00 N ATOM 637 CZ ARG A 217 4.372 12.396 -9.627 1.00 0.00 C ATOM 638 NH1 ARG A 217 3.378 12.161 -10.473 1.00 0.00 N ATOM 639 NH2 ARG A 217 4.481 13.592 -9.051 1.00 0.00 N ATOM 0 H ARG A 217 4.671 4.827 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 217 5.509 7.286 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 217 5.525 7.663 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 217 3.802 7.344 -10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 217 3.312 9.399 -9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 217 4.578 9.329 -8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 217 6.234 9.677 -9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.830 10.110 -10.933 1.00 0.00 H new ATOM 0 HE ARG A 217 6.087 11.700 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 217 3.312 11.259 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 217 2.679 12.882 -10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 217 5.265 13.789 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 217 3.781 14.311 -9.232 1.00 0.00 H new ATOM 653 N ALA A 218 3.411 6.964 -6.243 1.00 0.00 N ATOM 654 CA ALA A 218 2.187 6.798 -5.464 1.00 0.00 C ATOM 655 C ALA A 218 1.832 8.090 -4.741 1.00 0.00 C ATOM 656 O ALA A 218 2.676 8.970 -4.586 1.00 0.00 O ATOM 657 CB ALA A 218 2.328 5.650 -4.480 1.00 0.00 C ATOM 0 H ALA A 218 4.184 7.388 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 218 1.375 6.558 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.405 5.544 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.527 4.727 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.154 5.854 -3.798 1.00 0.00 H new ATOM 663 N ARG A 219 0.568 8.211 -4.351 1.00 0.00 N ATOM 664 CA ARG A 219 0.064 9.416 -3.691 1.00 0.00 C ATOM 665 C ARG A 219 -0.486 9.109 -2.294 1.00 0.00 C ATOM 666 O ARG A 219 -1.051 8.038 -2.060 1.00 0.00 O ATOM 667 CB ARG A 219 -1.020 10.027 -4.590 1.00 0.00 C ATOM 668 CG ARG A 219 -1.530 11.399 -4.184 1.00 0.00 C ATOM 669 CD ARG A 219 -2.727 11.318 -3.242 1.00 0.00 C ATOM 670 NE ARG A 219 -3.637 10.202 -3.535 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.342 10.061 -4.659 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.249 10.954 -5.633 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.152 9.026 -4.793 1.00 0.00 N ATOM 0 H ARG A 219 -0.135 7.483 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 219 0.880 10.125 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.627 10.094 -5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.867 9.341 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.726 11.954 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.810 11.958 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -2.366 11.221 -2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -3.284 12.253 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.738 9.478 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.633 11.760 -5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -4.793 10.835 -6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.235 8.342 -4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -5.695 8.911 -5.649 1.00 0.00 H new ATOM 687 N ASP A 220 -0.315 10.065 -1.380 1.00 0.00 N ATOM 688 CA ASP A 220 -0.784 9.926 0.001 1.00 0.00 C ATOM 689 C ASP A 220 -2.246 10.331 0.147 1.00 0.00 C ATOM 690 O ASP A 220 -3.156 9.540 -0.104 1.00 0.00 O ATOM 691 CB ASP A 220 0.046 10.797 0.959 1.00 0.00 C ATOM 692 CG ASP A 220 1.229 10.080 1.555 1.00 0.00 C ATOM 693 OD1 ASP A 220 2.182 9.784 0.817 1.00 0.00 O ATOM 694 OD2 ASP A 220 1.206 9.819 2.776 1.00 0.00 O ATOM 0 H ASP A 220 0.149 10.952 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 220 -0.671 8.872 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 220 0.398 11.678 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -0.597 11.151 1.765 1.00 0.00 H new ATOM 699 N LYS A 221 -2.447 11.562 0.606 1.00 0.00 N ATOM 700 CA LYS A 221 -3.782 12.098 0.857 1.00 0.00 C ATOM 701 C LYS A 221 -4.423 12.793 -0.352 1.00 0.00 C ATOM 702 O LYS A 221 -5.091 12.149 -1.160 1.00 0.00 O ATOM 703 CB LYS A 221 -3.736 13.059 2.052 1.00 0.00 C ATOM 704 CG LYS A 221 -2.485 13.931 2.102 1.00 0.00 C ATOM 705 CD LYS A 221 -2.526 14.919 3.262 1.00 0.00 C ATOM 706 CE LYS A 221 -2.586 14.211 4.609 1.00 0.00 C ATOM 707 NZ LYS A 221 -2.615 15.169 5.749 1.00 0.00 N ATOM 0 H LYS A 221 -1.692 12.215 0.814 1.00 0.00 H new ATOM 0 HA LYS A 221 -4.417 11.239 1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -4.614 13.704 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -3.799 12.480 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -1.604 13.296 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -2.385 14.477 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -1.643 15.557 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -3.394 15.569 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -3.473 13.579 4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -1.722 13.554 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -2.656 14.642 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -1.756 15.756 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -3.453 15.779 5.668 1.00 0.00 H new ATOM 721 N TYR A 222 -4.282 14.116 -0.435 1.00 0.00 N ATOM 722 CA TYR A 222 -4.920 14.886 -1.504 1.00 0.00 C ATOM 723 C TYR A 222 -3.942 15.347 -2.582 1.00 0.00 C ATOM 724 O TYR A 222 -4.238 16.290 -3.316 1.00 0.00 O ATOM 725 CB TYR A 222 -5.609 16.117 -0.904 1.00 0.00 C ATOM 726 CG TYR A 222 -6.289 15.865 0.425 1.00 0.00 C ATOM 727 CD1 TYR A 222 -7.417 15.060 0.521 1.00 0.00 C ATOM 728 CD2 TYR A 222 -5.791 16.437 1.588 1.00 0.00 C ATOM 729 CE1 TYR A 222 -8.031 14.836 1.740 1.00 0.00 C ATOM 730 CE2 TYR A 222 -6.396 16.215 2.807 1.00 0.00 C ATOM 731 CZ TYR A 222 -7.515 15.416 2.881 1.00 0.00 C ATOM 732 OH TYR A 222 -8.119 15.200 4.099 1.00 0.00 O ATOM 0 H TYR A 222 -3.735 14.674 0.220 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.640 14.221 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.869 16.907 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.350 16.486 -1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -7.821 14.602 -0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -4.915 17.066 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -8.910 14.211 1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -5.993 16.667 3.702 1.00 0.00 H new ATOM 0 HH TYR A 222 -7.628 15.681 4.798 1.00 0.00 H new ATOM 742 N GLY A 223 -2.786 14.708 -2.701 1.00 0.00 N ATOM 743 CA GLY A 223 -1.854 15.133 -3.730 1.00 0.00 C ATOM 744 C GLY A 223 -0.399 14.898 -3.386 1.00 0.00 C ATOM 745 O GLY A 223 0.477 15.226 -4.186 1.00 0.00 O ATOM 0 H GLY A 223 -2.481 13.925 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -2.087 14.606 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.003 16.195 -3.923 1.00 0.00 H new ATOM 749 N SER A 224 -0.133 14.328 -2.215 1.00 0.00 N ATOM 750 CA SER A 224 1.240 14.043 -1.805 1.00 0.00 C ATOM 751 C SER A 224 1.764 12.839 -2.578 1.00 0.00 C ATOM 752 O SER A 224 1.789 11.723 -2.066 1.00 0.00 O ATOM 753 CB SER A 224 1.297 13.766 -0.305 1.00 0.00 C ATOM 754 OG SER A 224 0.421 14.626 0.403 1.00 0.00 O ATOM 0 H SER A 224 -0.844 14.055 -1.536 1.00 0.00 H new ATOM 0 HA SER A 224 1.864 14.910 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 224 1.027 12.728 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.317 13.903 0.055 1.00 0.00 H new ATOM 0 HG SER A 224 0.473 14.429 1.362 1.00 0.00 H new ATOM 760 N GLU A 225 2.146 13.073 -3.823 1.00 0.00 N ATOM 761 CA GLU A 225 2.632 12.017 -4.698 1.00 0.00 C ATOM 762 C GLU A 225 4.117 12.182 -4.993 1.00 0.00 C ATOM 763 O GLU A 225 4.680 13.264 -4.815 1.00 0.00 O ATOM 764 CB GLU A 225 1.835 12.036 -6.002 1.00 0.00 C ATOM 765 CG GLU A 225 1.830 13.397 -6.673 1.00 0.00 C ATOM 766 CD GLU A 225 0.835 13.485 -7.803 1.00 0.00 C ATOM 767 OE1 GLU A 225 -0.372 13.310 -7.542 1.00 0.00 O ATOM 768 OE2 GLU A 225 1.250 13.736 -8.948 1.00 0.00 O ATOM 0 H GLU A 225 2.128 13.997 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 225 2.497 11.060 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.254 11.300 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 225 0.808 11.734 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 225 1.600 14.162 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 225 2.828 13.613 -7.055 1.00 0.00 H new ATOM 775 N GLY A 226 4.739 11.104 -5.452 1.00 0.00 N ATOM 776 CA GLY A 226 6.150 11.141 -5.772 1.00 0.00 C ATOM 777 C GLY A 226 6.698 9.770 -6.095 1.00 0.00 C ATOM 778 O GLY A 226 5.987 8.765 -5.981 1.00 0.00 O ATOM 0 H GLY A 226 4.289 10.202 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.311 11.804 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.701 11.562 -4.931 1.00 0.00 H new ATOM 782 N TYR A 227 7.962 9.726 -6.502 1.00 0.00 N ATOM 783 CA TYR A 227 8.609 8.465 -6.837 1.00 0.00 C ATOM 784 C TYR A 227 8.836 7.627 -5.588 1.00 0.00 C ATOM 785 O TYR A 227 9.213 8.148 -4.536 1.00 0.00 O ATOM 786 CB TYR A 227 9.941 8.701 -7.536 1.00 0.00 C ATOM 787 CG TYR A 227 9.829 9.439 -8.846 1.00 0.00 C ATOM 788 CD1 TYR A 227 8.980 8.988 -9.846 1.00 0.00 C ATOM 789 CD2 TYR A 227 10.578 10.583 -9.081 1.00 0.00 C ATOM 790 CE1 TYR A 227 8.879 9.657 -11.047 1.00 0.00 C ATOM 791 CE2 TYR A 227 10.484 11.257 -10.281 1.00 0.00 C ATOM 792 CZ TYR A 227 9.631 10.789 -11.261 1.00 0.00 C ATOM 793 OH TYR A 227 9.526 11.453 -12.459 1.00 0.00 O ATOM 0 H TYR A 227 8.557 10.548 -6.607 1.00 0.00 H new ATOM 0 HA TYR A 227 7.946 7.927 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.594 9.264 -6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.421 7.739 -7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.389 8.099 -9.681 1.00 0.00 H new ATOM 0 HD2 TYR A 227 11.244 10.951 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.213 9.294 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 227 11.074 12.145 -10.453 1.00 0.00 H new ATOM 0 HH TYR A 227 10.120 12.233 -12.454 1.00 0.00 H new ATOM 803 N ILE A 228 8.597 6.330 -5.702 1.00 0.00 N ATOM 804 CA ILE A 228 8.763 5.426 -4.578 1.00 0.00 C ATOM 805 C ILE A 228 9.479 4.154 -4.995 1.00 0.00 C ATOM 806 O ILE A 228 9.076 3.498 -5.955 1.00 0.00 O ATOM 807 CB ILE A 228 7.396 5.020 -3.990 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.599 6.256 -3.562 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.569 4.071 -2.817 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.282 5.940 -2.894 1.00 0.00 C ATOM 0 H ILE A 228 8.287 5.880 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 228 9.353 5.960 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 228 6.838 4.502 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.207 6.849 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.410 6.875 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.590 3.800 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 228 8.087 3.172 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 228 8.154 4.559 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.780 6.868 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.652 5.375 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.462 5.348 -1.996 1.00 0.00 H new ATOM 822 N PRO A 229 10.516 3.750 -4.255 1.00 0.00 N ATOM 823 CA PRO A 229 11.208 2.518 -4.547 1.00 0.00 C ATOM 824 C PRO A 229 10.361 1.341 -4.096 1.00 0.00 C ATOM 825 O PRO A 229 10.283 1.052 -2.901 1.00 0.00 O ATOM 826 CB PRO A 229 12.496 2.572 -3.725 1.00 0.00 C ATOM 827 CG PRO A 229 12.387 3.768 -2.828 1.00 0.00 C ATOM 828 CD PRO A 229 11.044 4.419 -3.063 1.00 0.00 C ATOM 0 HA PRO A 229 11.408 2.401 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.620 1.660 -3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.367 2.655 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 229 12.487 3.470 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 229 13.192 4.473 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.383 4.285 -2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.146 5.492 -3.222 1.00 0.00 H new ATOM 836 N SER A 230 9.711 0.683 -5.050 1.00 0.00 N ATOM 837 CA SER A 230 8.847 -0.466 -4.764 1.00 0.00 C ATOM 838 C SER A 230 9.555 -1.536 -3.924 1.00 0.00 C ATOM 839 O SER A 230 8.905 -2.411 -3.365 1.00 0.00 O ATOM 840 CB SER A 230 8.340 -1.075 -6.073 1.00 0.00 C ATOM 841 OG SER A 230 9.394 -1.189 -7.019 1.00 0.00 O ATOM 0 H SER A 230 9.765 0.926 -6.039 1.00 0.00 H new ATOM 0 HA SER A 230 8.005 -0.101 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.911 -2.058 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 230 7.543 -0.455 -6.483 1.00 0.00 H new ATOM 0 HG SER A 230 9.049 -1.582 -7.848 1.00 0.00 H new ATOM 847 N ASN A 231 10.878 -1.443 -3.797 1.00 0.00 N ATOM 848 CA ASN A 231 11.628 -2.388 -2.973 1.00 0.00 C ATOM 849 C ASN A 231 11.281 -2.192 -1.500 1.00 0.00 C ATOM 850 O ASN A 231 11.619 -3.014 -0.648 1.00 0.00 O ATOM 851 CB ASN A 231 13.140 -2.230 -3.182 1.00 0.00 C ATOM 852 CG ASN A 231 13.635 -2.907 -4.446 1.00 0.00 C ATOM 853 OD1 ASN A 231 12.750 -3.624 -5.126 1.00 0.00 O flip ATOM 854 ND2 ASN A 231 14.808 -2.796 -4.805 1.00 0.00 N flip ATOM 0 H ASN A 231 11.448 -0.729 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 231 11.347 -3.396 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.387 -1.169 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.666 -2.646 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 231 15.459 -2.235 -4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 231 15.129 -3.265 -5.652 1.00 0.00 H new ATOM 861 N TYR A 232 10.596 -1.092 -1.211 1.00 0.00 N ATOM 862 CA TYR A 232 10.186 -0.766 0.145 1.00 0.00 C ATOM 863 C TYR A 232 8.675 -0.892 0.309 1.00 0.00 C ATOM 864 O TYR A 232 8.152 -0.664 1.392 1.00 0.00 O ATOM 865 CB TYR A 232 10.611 0.664 0.501 1.00 0.00 C ATOM 866 CG TYR A 232 12.067 0.824 0.869 1.00 0.00 C ATOM 867 CD1 TYR A 232 13.078 0.352 0.045 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.424 1.462 2.044 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.407 0.509 0.387 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.749 1.624 2.396 1.00 0.00 C ATOM 871 CZ TYR A 232 14.738 1.145 1.563 1.00 0.00 C ATOM 872 OH TYR A 232 16.059 1.306 1.912 1.00 0.00 O ATOM 0 H TYR A 232 10.311 -0.405 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 232 10.674 -1.473 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.392 1.314 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.001 1.012 1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.822 -0.146 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.652 1.840 2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 232 15.183 0.135 -0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.009 2.123 3.318 1.00 0.00 H new ATOM 0 HH TYR A 232 16.116 1.776 2.770 1.00 0.00 H new ATOM 882 N VAL A 233 7.969 -1.237 -0.763 1.00 0.00 N ATOM 883 CA VAL A 233 6.516 -1.367 -0.694 1.00 0.00 C ATOM 884 C VAL A 233 6.027 -2.658 -1.344 1.00 0.00 C ATOM 885 O VAL A 233 6.803 -3.428 -1.902 1.00 0.00 O ATOM 886 CB VAL A 233 5.797 -0.167 -1.364 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.123 1.138 -0.657 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.161 -0.066 -2.834 1.00 0.00 C ATOM 0 H VAL A 233 8.372 -1.430 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 233 6.269 -1.386 0.367 1.00 0.00 H new ATOM 0 HB VAL A 233 4.725 -0.344 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.604 1.959 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.802 1.079 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.198 1.314 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.643 0.783 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 233 7.238 0.072 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.864 -0.981 -3.346 1.00 0.00 H new ATOM 898 N THR A 234 4.726 -2.870 -1.261 1.00 0.00 N ATOM 899 CA THR A 234 4.079 -4.039 -1.827 1.00 0.00 C ATOM 900 C THR A 234 2.604 -3.752 -2.007 1.00 0.00 C ATOM 901 O THR A 234 1.897 -3.434 -1.049 1.00 0.00 O ATOM 902 CB THR A 234 4.297 -5.275 -0.936 1.00 0.00 C ATOM 903 OG1 THR A 234 3.540 -6.377 -1.406 1.00 0.00 O ATOM 904 CG2 THR A 234 3.942 -5.062 0.522 1.00 0.00 C ATOM 0 H THR A 234 4.083 -2.230 -0.795 1.00 0.00 H new ATOM 0 HA THR A 234 4.521 -4.259 -2.799 1.00 0.00 H new ATOM 0 HB THR A 234 5.368 -5.470 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.695 -7.152 -0.826 1.00 0.00 H new ATOM 0 HG21 THR A 234 4.125 -5.981 1.079 1.00 0.00 H new ATOM 0 HG22 THR A 234 4.556 -4.260 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.889 -4.791 0.604 1.00 0.00 H new ATOM 912 N GLY A 235 2.132 -3.868 -3.239 1.00 0.00 N ATOM 913 CA GLY A 235 0.733 -3.637 -3.491 1.00 0.00 C ATOM 914 C GLY A 235 -0.088 -4.713 -2.829 1.00 0.00 C ATOM 915 O GLY A 235 0.464 -5.594 -2.167 1.00 0.00 O ATOM 0 H GLY A 235 2.688 -4.115 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.442 -2.658 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.543 -3.630 -4.564 1.00 0.00 H new ATOM 919 N LYS A 236 -1.391 -4.672 -2.992 1.00 0.00 N ATOM 920 CA LYS A 236 -2.227 -5.686 -2.387 1.00 0.00 C ATOM 921 C LYS A 236 -2.170 -6.973 -3.210 1.00 0.00 C ATOM 922 O LYS A 236 -3.179 -7.432 -3.743 1.00 0.00 O ATOM 923 CB LYS A 236 -3.655 -5.174 -2.211 1.00 0.00 C ATOM 924 CG LYS A 236 -4.231 -4.497 -3.448 1.00 0.00 C ATOM 925 CD LYS A 236 -5.602 -3.912 -3.165 1.00 0.00 C ATOM 926 CE LYS A 236 -6.667 -4.991 -3.019 1.00 0.00 C ATOM 927 NZ LYS A 236 -6.832 -5.781 -4.270 1.00 0.00 N ATOM 0 H LYS A 236 -1.889 -3.961 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 236 -1.848 -5.916 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -4.298 -6.010 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.677 -4.468 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -3.557 -3.707 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -4.302 -5.219 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -5.561 -3.318 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.881 -3.235 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -6.397 -5.659 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -7.618 -4.529 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -7.743 -6.283 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -6.811 -5.141 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -6.058 -6.471 -4.349 1.00 0.00 H new