USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 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 Set 1.1: A 221 LYS NZ :NH3+ 148:sc= 0.496 (180deg=0) USER MOD Set 1.2: A 222 TYR OH : rot 180:sc= 0.45 USER MOD Set 2.1: A 203 GLN :FLIP amide:sc= 0.958 F(o=1.1,f=2.2) USER MOD Set 2.2: A 205 TYR OH : rot -78:sc= 1.27 USER MOD Single : A 186 MET CE :methyl 148:sc= -0.524 (180deg=-3.02!) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 HIS : no HE2:sc= -0.549 K(o=-0.55,f=-1.8) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 224 SER OG : rot 114:sc= 1.29 USER MOD Single : A 227 TYR OH : rot 180:sc= 0.00308 USER MOD Single : A 230 SER OG : rot 145:sc= 0.156 USER MOD Single : A 231 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.4) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.745 1.285 -4.563 1.00 0.00 N ATOM 37 CA ILE A 182 -3.122 0.150 -5.216 1.00 0.00 C ATOM 38 C ILE A 182 -1.996 -0.434 -4.404 1.00 0.00 C ATOM 39 O ILE A 182 -1.890 -1.651 -4.280 1.00 0.00 O ATOM 40 CB ILE A 182 -2.566 0.516 -6.610 1.00 0.00 C ATOM 41 CG1 ILE A 182 -3.691 1.025 -7.487 1.00 0.00 C ATOM 42 CG2 ILE A 182 -1.887 -0.688 -7.261 1.00 0.00 C ATOM 43 CD1 ILE A 182 -4.622 -0.068 -7.970 1.00 0.00 C ATOM 0 HA ILE A 182 -3.916 -0.590 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 182 -1.817 1.299 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -4.268 1.764 -6.931 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.265 1.537 -8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -1.504 -0.404 -8.241 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -1.062 -1.024 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -2.610 -1.496 -7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.403 0.368 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.057 -0.795 -8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -5.076 -0.564 -7.112 1.00 0.00 H new ATOM 55 N VAL A 183 -1.116 0.413 -3.901 1.00 0.00 N ATOM 56 CA VAL A 183 0.018 -0.105 -3.183 1.00 0.00 C ATOM 57 C VAL A 183 -0.015 0.164 -1.676 1.00 0.00 C ATOM 58 O VAL A 183 -0.888 0.863 -1.170 1.00 0.00 O ATOM 59 CB VAL A 183 1.338 0.410 -3.801 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.305 0.205 -5.293 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.595 1.874 -3.513 1.00 0.00 C ATOM 0 H VAL A 183 -1.166 1.429 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 183 -0.037 -1.188 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 183 2.146 -0.160 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.235 0.568 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.191 -0.857 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.465 0.756 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.536 2.176 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.782 2.474 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.652 2.028 -2.435 1.00 0.00 H new ATOM 71 N VAL A 184 0.957 -0.415 -0.981 1.00 0.00 N ATOM 72 CA VAL A 184 1.094 -0.276 0.459 1.00 0.00 C ATOM 73 C VAL A 184 2.566 -0.471 0.858 1.00 0.00 C ATOM 74 O VAL A 184 3.247 -1.351 0.332 1.00 0.00 O ATOM 75 CB VAL A 184 0.175 -1.279 1.204 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.393 -2.705 0.706 1.00 0.00 C ATOM 77 CG2 VAL A 184 0.379 -1.201 2.709 1.00 0.00 C ATOM 0 H VAL A 184 1.677 -0.999 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 184 0.782 0.727 0.749 1.00 0.00 H new ATOM 0 HB VAL A 184 -0.856 -0.999 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -0.266 -3.384 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 184 0.170 -2.756 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 184 1.430 -2.995 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -0.279 -1.916 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 184 1.416 -1.437 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 184 0.147 -0.194 3.056 1.00 0.00 H new ATOM 87 N ALA A 185 3.061 0.369 1.767 1.00 0.00 N ATOM 88 CA ALA A 185 4.457 0.292 2.205 1.00 0.00 C ATOM 89 C ALA A 185 4.628 -0.678 3.361 1.00 0.00 C ATOM 90 O ALA A 185 3.682 -0.957 4.092 1.00 0.00 O ATOM 91 CB ALA A 185 4.954 1.665 2.626 1.00 0.00 C ATOM 0 H ALA A 185 2.519 1.109 2.214 1.00 0.00 H new ATOM 0 HA ALA A 185 5.043 -0.070 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.993 1.593 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.883 2.352 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.343 2.037 3.449 1.00 0.00 H new ATOM 97 N MET A 186 5.848 -1.169 3.535 1.00 0.00 N ATOM 98 CA MET A 186 6.152 -2.094 4.618 1.00 0.00 C ATOM 99 C MET A 186 7.405 -1.655 5.370 1.00 0.00 C ATOM 100 O MET A 186 7.496 -1.808 6.589 1.00 0.00 O ATOM 101 CB MET A 186 6.351 -3.520 4.093 1.00 0.00 C ATOM 102 CG MET A 186 5.086 -4.174 3.561 1.00 0.00 C ATOM 103 SD MET A 186 5.380 -5.853 2.972 1.00 0.00 S ATOM 104 CE MET A 186 3.707 -6.378 2.607 1.00 0.00 C ATOM 0 H MET A 186 6.644 -0.942 2.939 1.00 0.00 H new ATOM 0 HA MET A 186 5.301 -2.085 5.299 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.098 -3.501 3.299 1.00 0.00 H new ATOM 0 HB3 MET A 186 6.755 -4.137 4.896 1.00 0.00 H new ATOM 0 HG2 MET A 186 4.332 -4.194 4.347 1.00 0.00 H new ATOM 0 HG3 MET A 186 4.682 -3.571 2.747 1.00 0.00 H new ATOM 0 HE1 MET A 186 3.719 -7.074 1.768 1.00 0.00 H new ATOM 0 HE2 MET A 186 3.281 -6.870 3.481 1.00 0.00 H new ATOM 0 HE3 MET A 186 3.101 -5.509 2.349 1.00 0.00 H new ATOM 114 N TYR A 187 8.383 -1.120 4.639 1.00 0.00 N ATOM 115 CA TYR A 187 9.633 -0.684 5.252 1.00 0.00 C ATOM 116 C TYR A 187 9.655 0.828 5.452 1.00 0.00 C ATOM 117 O TYR A 187 8.805 1.544 4.924 1.00 0.00 O ATOM 118 CB TYR A 187 10.824 -1.119 4.397 1.00 0.00 C ATOM 119 CG TYR A 187 10.841 -2.603 4.088 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.851 -3.547 5.108 1.00 0.00 C ATOM 121 CD2 TYR A 187 10.843 -3.059 2.777 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.865 -4.900 4.826 1.00 0.00 C ATOM 123 CE2 TYR A 187 10.856 -4.409 2.487 1.00 0.00 C ATOM 124 CZ TYR A 187 10.866 -5.325 3.514 1.00 0.00 C ATOM 125 OH TYR A 187 10.875 -6.673 3.236 1.00 0.00 O ATOM 0 H TYR A 187 8.333 -0.980 3.630 1.00 0.00 H new ATOM 0 HA TYR A 187 9.706 -1.155 6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.811 -0.562 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.747 -0.853 4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.848 -3.218 6.137 1.00 0.00 H new ATOM 0 HD2 TYR A 187 10.834 -2.344 1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.875 -5.621 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 187 10.858 -4.744 1.460 1.00 0.00 H new ATOM 0 HH TYR A 187 10.873 -6.807 2.265 1.00 0.00 H new ATOM 135 N ASP A 188 10.628 1.298 6.230 1.00 0.00 N ATOM 136 CA ASP A 188 10.773 2.721 6.531 1.00 0.00 C ATOM 137 C ASP A 188 11.781 3.392 5.595 1.00 0.00 C ATOM 138 O ASP A 188 12.886 2.887 5.382 1.00 0.00 O ATOM 139 CB ASP A 188 11.218 2.880 7.993 1.00 0.00 C ATOM 140 CG ASP A 188 11.220 4.310 8.499 1.00 0.00 C ATOM 141 OD1 ASP A 188 10.796 5.217 7.762 1.00 0.00 O ATOM 142 OD2 ASP A 188 11.634 4.520 9.658 1.00 0.00 O ATOM 0 H ASP A 188 11.335 0.707 6.668 1.00 0.00 H new ATOM 0 HA ASP A 188 9.811 3.210 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 188 10.560 2.285 8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 188 12.222 2.469 8.101 1.00 0.00 H new ATOM 147 N PHE A 189 11.397 4.544 5.059 1.00 0.00 N ATOM 148 CA PHE A 189 12.250 5.318 4.159 1.00 0.00 C ATOM 149 C PHE A 189 11.816 6.781 4.217 1.00 0.00 C ATOM 150 O PHE A 189 10.655 7.066 4.498 1.00 0.00 O ATOM 151 CB PHE A 189 12.159 4.773 2.728 1.00 0.00 C ATOM 152 CG PHE A 189 13.114 5.409 1.752 1.00 0.00 C ATOM 153 CD1 PHE A 189 14.477 5.187 1.850 1.00 0.00 C ATOM 154 CD2 PHE A 189 12.646 6.231 0.738 1.00 0.00 C ATOM 155 CE1 PHE A 189 15.352 5.765 0.953 1.00 0.00 C ATOM 156 CE2 PHE A 189 13.519 6.812 -0.161 1.00 0.00 C ATOM 157 CZ PHE A 189 14.874 6.581 -0.050 1.00 0.00 C ATOM 0 H PHE A 189 10.487 4.970 5.234 1.00 0.00 H new ATOM 0 HA PHE A 189 13.291 5.236 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 189 12.344 3.699 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 189 11.141 4.913 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.860 4.554 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 189 11.586 6.419 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 189 16.412 5.578 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 189 13.141 7.446 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 189 15.560 7.039 -0.748 1.00 0.00 H new ATOM 167 N GLN A 190 12.737 7.703 3.980 1.00 0.00 N ATOM 168 CA GLN A 190 12.413 9.128 4.042 1.00 0.00 C ATOM 169 C GLN A 190 12.696 9.833 2.720 1.00 0.00 C ATOM 170 O GLN A 190 13.686 9.536 2.050 1.00 0.00 O ATOM 171 CB GLN A 190 13.230 9.796 5.157 1.00 0.00 C ATOM 172 CG GLN A 190 12.900 11.266 5.373 1.00 0.00 C ATOM 173 CD GLN A 190 13.685 11.882 6.513 1.00 0.00 C ATOM 174 OE1 GLN A 190 14.913 11.952 6.472 1.00 0.00 O ATOM 175 NE2 GLN A 190 12.982 12.316 7.546 1.00 0.00 N ATOM 0 H GLN A 190 13.708 7.497 3.745 1.00 0.00 H new ATOM 0 HA GLN A 190 11.347 9.215 4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.062 9.256 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 190 14.290 9.703 4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 190 13.105 11.818 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 190 11.834 11.369 5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 190 11.965 12.239 7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 190 13.457 12.728 8.349 1.00 0.00 H new ATOM 184 N ALA A 191 11.843 10.800 2.372 1.00 0.00 N ATOM 185 CA ALA A 191 12.029 11.578 1.152 1.00 0.00 C ATOM 186 C ALA A 191 13.107 12.622 1.387 1.00 0.00 C ATOM 187 O ALA A 191 13.042 13.389 2.350 1.00 0.00 O ATOM 188 CB ALA A 191 10.734 12.250 0.710 1.00 0.00 C ATOM 0 H ALA A 191 11.021 11.060 2.918 1.00 0.00 H new ATOM 0 HA ALA A 191 12.333 10.901 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 191 10.913 12.820 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 191 9.976 11.490 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 191 10.386 12.921 1.495 1.00 0.00 H new ATOM 194 N THR A 192 14.105 12.639 0.522 1.00 0.00 N ATOM 195 CA THR A 192 15.207 13.574 0.660 1.00 0.00 C ATOM 196 C THR A 192 14.838 14.965 0.145 1.00 0.00 C ATOM 197 O THR A 192 15.485 15.952 0.502 1.00 0.00 O ATOM 198 CB THR A 192 16.443 13.019 -0.059 1.00 0.00 C ATOM 199 OG1 THR A 192 17.562 13.874 0.097 1.00 0.00 O ATOM 200 CG2 THR A 192 16.240 12.801 -1.542 1.00 0.00 C ATOM 0 H THR A 192 14.175 12.016 -0.283 1.00 0.00 H new ATOM 0 HA THR A 192 15.436 13.687 1.720 1.00 0.00 H new ATOM 0 HB THR A 192 16.620 12.053 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 192 18.333 13.492 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.157 12.408 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.429 12.090 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 192 15.988 13.749 -2.018 1.00 0.00 H new ATOM 208 N GLU A 193 13.798 15.055 -0.676 1.00 0.00 N ATOM 209 CA GLU A 193 13.375 16.343 -1.208 1.00 0.00 C ATOM 210 C GLU A 193 11.848 16.453 -1.251 1.00 0.00 C ATOM 211 O GLU A 193 11.207 16.696 -0.226 1.00 0.00 O ATOM 212 CB GLU A 193 13.985 16.548 -2.604 1.00 0.00 C ATOM 213 CG GLU A 193 13.742 17.921 -3.212 1.00 0.00 C ATOM 214 CD GLU A 193 14.575 18.145 -4.452 1.00 0.00 C ATOM 215 OE1 GLU A 193 15.807 18.266 -4.320 1.00 0.00 O ATOM 216 OE2 GLU A 193 14.004 18.179 -5.558 1.00 0.00 O ATOM 0 H GLU A 193 13.238 14.260 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 193 13.734 17.131 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 193 15.060 16.378 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 193 13.580 15.792 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 193 12.686 18.026 -3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 193 13.974 18.690 -2.475 1.00 0.00 H new ATOM 223 N ALA A 194 11.277 16.280 -2.439 1.00 0.00 N ATOM 224 CA ALA A 194 9.830 16.372 -2.633 1.00 0.00 C ATOM 225 C ALA A 194 9.398 15.667 -3.914 1.00 0.00 C ATOM 226 O ALA A 194 8.211 15.619 -4.240 1.00 0.00 O ATOM 227 CB ALA A 194 9.396 17.826 -2.677 1.00 0.00 C ATOM 0 H ALA A 194 11.799 16.073 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 194 9.349 15.877 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 194 8.317 17.879 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 194 9.661 18.313 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 194 9.898 18.331 -3.502 1.00 0.00 H new ATOM 233 N HIS A 195 10.372 15.118 -4.625 1.00 0.00 N ATOM 234 CA HIS A 195 10.121 14.394 -5.870 1.00 0.00 C ATOM 235 C HIS A 195 9.786 12.953 -5.531 1.00 0.00 C ATOM 236 O HIS A 195 9.261 12.198 -6.354 1.00 0.00 O ATOM 237 CB HIS A 195 11.366 14.461 -6.763 1.00 0.00 C ATOM 238 CG HIS A 195 11.109 14.196 -8.215 1.00 0.00 C ATOM 239 ND1 HIS A 195 10.241 14.950 -8.974 1.00 0.00 N ATOM 240 CD2 HIS A 195 11.650 13.285 -9.057 1.00 0.00 C ATOM 241 CE1 HIS A 195 10.266 14.520 -10.225 1.00 0.00 C ATOM 242 NE2 HIS A 195 11.115 13.510 -10.304 1.00 0.00 N ATOM 0 H HIS A 195 11.356 15.159 -4.360 1.00 0.00 H new ATOM 0 HA HIS A 195 9.287 14.843 -6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 195 11.816 15.448 -6.662 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.097 13.739 -6.399 1.00 0.00 H new ATOM 0 HD1 HIS A 195 9.669 15.719 -8.626 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.369 12.522 -8.798 1.00 0.00 H new ATOM 0 HE1 HIS A 195 9.690 14.926 -11.043 1.00 0.00 H new ATOM 251 N ASP A 196 10.097 12.596 -4.291 1.00 0.00 N ATOM 252 CA ASP A 196 9.845 11.264 -3.769 1.00 0.00 C ATOM 253 C ASP A 196 8.951 11.359 -2.540 1.00 0.00 C ATOM 254 O ASP A 196 8.689 12.452 -2.038 1.00 0.00 O ATOM 255 CB ASP A 196 11.156 10.575 -3.371 1.00 0.00 C ATOM 256 CG ASP A 196 12.151 10.461 -4.503 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.641 11.501 -4.986 1.00 0.00 O ATOM 258 OD2 ASP A 196 12.462 9.328 -4.900 1.00 0.00 O ATOM 0 H ASP A 196 10.533 13.227 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 196 9.358 10.679 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 196 11.613 11.130 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 196 10.932 9.577 -2.994 1.00 0.00 H new ATOM 263 N LEU A 197 8.510 10.214 -2.036 1.00 0.00 N ATOM 264 CA LEU A 197 7.673 10.184 -0.840 1.00 0.00 C ATOM 265 C LEU A 197 8.314 9.307 0.224 1.00 0.00 C ATOM 266 O LEU A 197 9.170 8.473 -0.080 1.00 0.00 O ATOM 267 CB LEU A 197 6.261 9.673 -1.156 1.00 0.00 C ATOM 268 CG LEU A 197 5.306 10.683 -1.795 1.00 0.00 C ATOM 269 CD1 LEU A 197 3.919 10.080 -1.898 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.256 11.962 -0.980 1.00 0.00 C ATOM 0 H LEU A 197 8.716 9.297 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 197 7.587 11.204 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.348 8.815 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 197 5.811 9.314 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 197 5.670 10.925 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 197 3.241 10.802 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 197 3.958 9.181 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 197 3.559 9.823 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 197 4.571 12.667 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 197 4.908 11.738 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.252 12.401 -0.931 1.00 0.00 H new ATOM 282 N ARG A 198 7.898 9.482 1.471 1.00 0.00 N ATOM 283 CA ARG A 198 8.445 8.682 2.555 1.00 0.00 C ATOM 284 C ARG A 198 7.717 7.348 2.648 1.00 0.00 C ATOM 285 O ARG A 198 6.584 7.211 2.184 1.00 0.00 O ATOM 286 CB ARG A 198 8.361 9.420 3.895 1.00 0.00 C ATOM 287 CG ARG A 198 6.955 9.879 4.260 1.00 0.00 C ATOM 288 CD ARG A 198 6.867 10.318 5.714 1.00 0.00 C ATOM 289 NE ARG A 198 7.194 9.227 6.630 1.00 0.00 N ATOM 290 CZ ARG A 198 7.276 9.371 7.952 1.00 0.00 C ATOM 291 NH1 ARG A 198 7.069 10.560 8.503 1.00 0.00 N ATOM 292 NH2 ARG A 198 7.589 8.333 8.714 1.00 0.00 N ATOM 0 H ARG A 198 7.192 10.162 1.754 1.00 0.00 H new ATOM 0 HA ARG A 198 9.497 8.502 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 198 8.735 8.766 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 198 9.019 10.288 3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 198 6.662 10.705 3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.249 9.068 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 198 7.548 11.152 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 198 5.861 10.680 5.924 1.00 0.00 H new ATOM 0 HE ARG A 198 7.369 8.303 6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 198 6.847 11.363 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 198 7.132 10.671 9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 198 7.767 7.423 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 198 7.652 8.444 9.726 1.00 0.00 H new ATOM 306 N LEU A 199 8.371 6.375 3.255 1.00 0.00 N ATOM 307 CA LEU A 199 7.800 5.049 3.422 1.00 0.00 C ATOM 308 C LEU A 199 7.496 4.792 4.886 1.00 0.00 C ATOM 309 O LEU A 199 8.387 4.877 5.730 1.00 0.00 O ATOM 310 CB LEU A 199 8.764 3.971 2.906 1.00 0.00 C ATOM 311 CG LEU A 199 8.839 3.799 1.387 1.00 0.00 C ATOM 312 CD1 LEU A 199 7.461 3.539 0.837 1.00 0.00 C ATOM 313 CD2 LEU A 199 9.446 5.013 0.709 1.00 0.00 C ATOM 0 H LEU A 199 9.308 6.479 3.645 1.00 0.00 H new ATOM 0 HA LEU A 199 6.877 5.003 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.764 4.202 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 199 8.475 3.016 3.345 1.00 0.00 H new ATOM 0 HG LEU A 199 9.487 2.948 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.518 3.417 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.056 2.631 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 199 6.810 4.381 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 199 9.481 4.849 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 199 8.837 5.892 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 199 10.457 5.172 1.084 1.00 0.00 H new ATOM 325 N GLU A 200 6.249 4.472 5.196 1.00 0.00 N ATOM 326 CA GLU A 200 5.873 4.206 6.574 1.00 0.00 C ATOM 327 C GLU A 200 5.568 2.730 6.782 1.00 0.00 C ATOM 328 O GLU A 200 5.232 2.011 5.839 1.00 0.00 O ATOM 329 CB GLU A 200 4.688 5.073 7.000 1.00 0.00 C ATOM 330 CG GLU A 200 5.002 6.559 6.972 1.00 0.00 C ATOM 331 CD GLU A 200 4.172 7.346 7.954 1.00 0.00 C ATOM 332 OE1 GLU A 200 4.182 6.991 9.148 1.00 0.00 O ATOM 333 OE2 GLU A 200 3.525 8.322 7.537 1.00 0.00 O ATOM 0 H GLU A 200 5.489 4.391 4.521 1.00 0.00 H new ATOM 0 HA GLU A 200 6.722 4.467 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 200 3.843 4.873 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.381 4.791 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 200 6.059 6.707 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 200 4.831 6.944 5.967 1.00 0.00 H new ATOM 340 N ARG A 201 5.715 2.292 8.022 1.00 0.00 N ATOM 341 CA ARG A 201 5.487 0.901 8.389 1.00 0.00 C ATOM 342 C ARG A 201 4.007 0.526 8.324 1.00 0.00 C ATOM 343 O ARG A 201 3.298 0.593 9.329 1.00 0.00 O ATOM 344 CB ARG A 201 6.019 0.639 9.803 1.00 0.00 C ATOM 345 CG ARG A 201 7.509 0.895 9.966 1.00 0.00 C ATOM 346 CD ARG A 201 8.328 -0.170 9.263 1.00 0.00 C ATOM 347 NE ARG A 201 9.761 0.000 9.505 1.00 0.00 N ATOM 348 CZ ARG A 201 10.688 -0.827 9.038 1.00 0.00 C ATOM 349 NH1 ARG A 201 10.329 -1.882 8.317 1.00 0.00 N ATOM 350 NH2 ARG A 201 11.974 -0.606 9.296 1.00 0.00 N ATOM 0 H ARG A 201 5.995 2.888 8.801 1.00 0.00 H new ATOM 0 HA ARG A 201 6.021 0.282 7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.474 1.269 10.506 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.808 -0.396 10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.759 1.876 9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.764 0.913 11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 201 8.015 -1.156 9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.133 -0.130 8.191 1.00 0.00 H new ATOM 0 HE ARG A 201 10.064 0.798 10.063 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.343 -2.055 8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 201 11.039 -2.519 7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 201 12.251 0.201 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 201 12.683 -1.244 8.935 1.00 0.00 H new ATOM 364 N GLY A 202 3.552 0.107 7.148 1.00 0.00 N ATOM 365 CA GLY A 202 2.170 -0.302 6.984 1.00 0.00 C ATOM 366 C GLY A 202 1.256 0.804 6.509 1.00 0.00 C ATOM 367 O GLY A 202 0.070 0.795 6.820 1.00 0.00 O ATOM 0 H GLY A 202 4.119 0.043 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.127 -1.126 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.799 -0.683 7.935 1.00 0.00 H new ATOM 371 N GLN A 203 1.779 1.743 5.736 1.00 0.00 N ATOM 372 CA GLN A 203 0.945 2.817 5.220 1.00 0.00 C ATOM 373 C GLN A 203 0.637 2.569 3.750 1.00 0.00 C ATOM 374 O GLN A 203 1.539 2.315 2.956 1.00 0.00 O ATOM 375 CB GLN A 203 1.595 4.193 5.400 1.00 0.00 C ATOM 376 CG GLN A 203 0.605 5.343 5.249 1.00 0.00 C ATOM 377 CD GLN A 203 1.264 6.707 5.322 1.00 0.00 C ATOM 378 OE1 GLN A 203 0.926 7.475 6.348 1.00 0.00 O flip ATOM 379 NE2 GLN A 203 2.062 7.072 4.458 1.00 0.00 N flip ATOM 0 H GLN A 203 2.759 1.784 5.456 1.00 0.00 H new ATOM 0 HA GLN A 203 0.019 2.821 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.056 4.245 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.394 4.310 4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 203 0.088 5.246 4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -0.151 5.269 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.295 6.450 3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.490 7.996 4.516 1.00 0.00 H new ATOM 388 N GLU A 204 -0.637 2.622 3.404 1.00 0.00 N ATOM 389 CA GLU A 204 -1.067 2.380 2.035 1.00 0.00 C ATOM 390 C GLU A 204 -0.853 3.603 1.160 1.00 0.00 C ATOM 391 O GLU A 204 -0.776 4.730 1.652 1.00 0.00 O ATOM 392 CB GLU A 204 -2.538 1.984 2.008 1.00 0.00 C ATOM 393 CG GLU A 204 -2.867 0.769 2.856 1.00 0.00 C ATOM 394 CD GLU A 204 -3.167 1.115 4.299 1.00 0.00 C ATOM 395 OE1 GLU A 204 -3.146 2.314 4.647 1.00 0.00 O ATOM 396 OE2 GLU A 204 -3.430 0.191 5.089 1.00 0.00 O ATOM 0 H GLU A 204 -1.395 2.831 4.053 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.461 1.565 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.137 2.827 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.831 1.785 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -3.727 0.255 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.029 0.072 2.822 1.00 0.00 H new ATOM 403 N TYR A 205 -0.768 3.373 -0.144 1.00 0.00 N ATOM 404 CA TYR A 205 -0.564 4.454 -1.102 1.00 0.00 C ATOM 405 C TYR A 205 -1.321 4.200 -2.399 1.00 0.00 C ATOM 406 O TYR A 205 -1.442 3.067 -2.862 1.00 0.00 O ATOM 407 CB TYR A 205 0.925 4.613 -1.454 1.00 0.00 C ATOM 408 CG TYR A 205 1.833 4.947 -0.300 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.733 6.163 0.357 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.800 4.047 0.125 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.570 6.472 1.407 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.639 4.349 1.174 1.00 0.00 C ATOM 413 CZ TYR A 205 3.521 5.560 1.811 1.00 0.00 C ATOM 414 OH TYR A 205 4.356 5.856 2.861 1.00 0.00 O ATOM 0 H TYR A 205 -0.837 2.446 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 205 -0.937 5.360 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.273 3.687 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 205 1.021 5.395 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.988 6.879 0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 205 2.896 3.095 -0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 205 2.481 7.423 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.386 3.638 1.494 1.00 0.00 H new ATOM 0 HH TYR A 205 5.060 6.466 2.557 1.00 0.00 H new ATOM 424 N ILE A 206 -1.774 5.269 -3.009 1.00 0.00 N ATOM 425 CA ILE A 206 -2.459 5.184 -4.281 1.00 0.00 C ATOM 426 C ILE A 206 -1.443 5.533 -5.362 1.00 0.00 C ATOM 427 O ILE A 206 -1.259 6.701 -5.703 1.00 0.00 O ATOM 428 CB ILE A 206 -3.662 6.161 -4.358 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.625 5.956 -3.185 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.410 5.996 -5.673 1.00 0.00 C ATOM 431 CD1 ILE A 206 -4.211 6.662 -1.910 1.00 0.00 C ATOM 0 H ILE A 206 -1.680 6.216 -2.643 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.859 4.179 -4.413 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.261 7.173 -4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.615 6.307 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.712 4.888 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.249 6.691 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.736 6.204 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.782 4.975 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.946 6.465 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -3.236 6.294 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -4.152 7.735 -2.091 1.00 0.00 H new ATOM 443 N ILE A 207 -0.743 4.520 -5.846 1.00 0.00 N ATOM 444 CA ILE A 207 0.297 4.711 -6.841 1.00 0.00 C ATOM 445 C ILE A 207 -0.263 5.309 -8.138 1.00 0.00 C ATOM 446 O ILE A 207 -1.350 4.943 -8.596 1.00 0.00 O ATOM 447 CB ILE A 207 1.038 3.374 -7.071 1.00 0.00 C ATOM 448 CG1 ILE A 207 2.333 3.559 -7.860 1.00 0.00 C ATOM 449 CG2 ILE A 207 0.131 2.357 -7.740 1.00 0.00 C ATOM 450 CD1 ILE A 207 2.218 3.282 -9.346 1.00 0.00 C ATOM 0 H ILE A 207 -0.879 3.550 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 207 1.019 5.439 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 207 1.316 2.990 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 207 2.683 4.582 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE A 207 3.095 2.902 -7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.677 1.426 -7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -0.736 2.171 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -0.200 2.743 -8.704 1.00 0.00 H new ATOM 0 HD11 ILE A 207 3.186 3.439 -9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 207 1.901 2.250 -9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.484 3.957 -9.786 1.00 0.00 H new ATOM 462 N LEU A 208 0.482 6.262 -8.692 1.00 0.00 N ATOM 463 CA LEU A 208 0.086 6.966 -9.906 1.00 0.00 C ATOM 464 C LEU A 208 0.689 6.328 -11.147 1.00 0.00 C ATOM 465 O LEU A 208 -0.006 5.705 -11.948 1.00 0.00 O ATOM 466 CB LEU A 208 0.553 8.430 -9.862 1.00 0.00 C ATOM 467 CG LEU A 208 0.424 9.142 -8.513 1.00 0.00 C ATOM 468 CD1 LEU A 208 0.975 10.553 -8.609 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.025 9.150 -8.051 1.00 0.00 C ATOM 0 H LEU A 208 1.378 6.567 -8.311 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.001 6.910 -9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.598 8.465 -10.169 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.016 8.993 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 208 1.009 8.598 -7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 208 0.877 11.048 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 208 2.027 10.514 -8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.417 11.111 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -1.098 9.660 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.638 9.671 -8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -1.379 8.124 -7.945 1.00 0.00 H new ATOM 481 N GLU A 209 1.990 6.523 -11.311 1.00 0.00 N ATOM 482 CA GLU A 209 2.706 6.007 -12.467 1.00 0.00 C ATOM 483 C GLU A 209 3.765 5.014 -12.040 1.00 0.00 C ATOM 484 O GLU A 209 4.533 5.283 -11.116 1.00 0.00 O ATOM 485 CB GLU A 209 3.384 7.154 -13.216 1.00 0.00 C ATOM 486 CG GLU A 209 2.486 8.353 -13.447 1.00 0.00 C ATOM 487 CD GLU A 209 3.208 9.486 -14.135 1.00 0.00 C ATOM 488 OE1 GLU A 209 4.209 9.978 -13.580 1.00 0.00 O ATOM 489 OE2 GLU A 209 2.773 9.875 -15.235 1.00 0.00 O ATOM 0 H GLU A 209 2.574 7.039 -10.652 1.00 0.00 H new ATOM 0 HA GLU A 209 1.985 5.510 -13.117 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.262 7.473 -12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 209 3.738 6.787 -14.179 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.629 8.052 -14.050 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.096 8.701 -12.491 1.00 0.00 H new ATOM 496 N LYS A 210 3.831 3.884 -12.720 1.00 0.00 N ATOM 497 CA LYS A 210 4.831 2.885 -12.397 1.00 0.00 C ATOM 498 C LYS A 210 6.154 3.259 -13.036 1.00 0.00 C ATOM 499 O LYS A 210 7.170 3.303 -12.357 1.00 0.00 O ATOM 500 CB LYS A 210 4.395 1.501 -12.871 1.00 0.00 C ATOM 501 CG LYS A 210 5.294 0.372 -12.378 1.00 0.00 C ATOM 502 CD LYS A 210 4.748 -0.991 -12.775 1.00 0.00 C ATOM 503 CE LYS A 210 3.359 -1.227 -12.191 1.00 0.00 C ATOM 504 NZ LYS A 210 2.762 -2.514 -12.644 1.00 0.00 N ATOM 0 H LYS A 210 3.211 3.637 -13.491 1.00 0.00 H new ATOM 0 HA LYS A 210 4.947 2.852 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.375 1.316 -12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 210 4.377 1.489 -13.961 1.00 0.00 H new ATOM 0 HG2 LYS A 210 6.296 0.497 -12.789 1.00 0.00 H new ATOM 0 HG3 LYS A 210 5.386 0.426 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 210 4.705 -1.065 -13.862 1.00 0.00 H new ATOM 0 HD3 LYS A 210 5.427 -1.771 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 210 3.420 -1.221 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 210 2.703 -0.405 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 1.819 -2.628 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 2.677 -2.512 -13.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 3.372 -3.303 -12.348 1.00 0.00 H new ATOM 518 N ASN A 211 6.124 3.527 -14.350 1.00 0.00 N ATOM 519 CA ASN A 211 7.329 3.893 -15.109 1.00 0.00 C ATOM 520 C ASN A 211 8.297 2.721 -15.148 1.00 0.00 C ATOM 521 O ASN A 211 8.338 1.964 -16.117 1.00 0.00 O ATOM 522 CB ASN A 211 8.013 5.128 -14.509 1.00 0.00 C ATOM 523 CG ASN A 211 7.177 6.380 -14.660 1.00 0.00 C ATOM 524 OD1 ASN A 211 6.920 6.833 -15.776 1.00 0.00 O ATOM 525 ND2 ASN A 211 6.743 6.944 -13.543 1.00 0.00 N ATOM 0 H ASN A 211 5.273 3.497 -14.912 1.00 0.00 H new ATOM 0 HA ASN A 211 7.026 4.141 -16.126 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.212 4.952 -13.452 1.00 0.00 H new ATOM 0 HB3 ASN A 211 8.978 5.278 -14.994 1.00 0.00 H new ATOM 0 HD21 ASN A 211 6.172 7.788 -13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 211 6.980 6.534 -12.639 1.00 0.00 H new ATOM 532 N ASP A 212 9.039 2.553 -14.068 1.00 0.00 N ATOM 533 CA ASP A 212 9.972 1.452 -13.935 1.00 0.00 C ATOM 534 C ASP A 212 9.484 0.549 -12.812 1.00 0.00 C ATOM 535 O ASP A 212 8.773 1.001 -11.920 1.00 0.00 O ATOM 536 CB ASP A 212 11.386 1.972 -13.654 1.00 0.00 C ATOM 537 CG ASP A 212 12.421 0.871 -13.653 1.00 0.00 C ATOM 538 OD1 ASP A 212 12.537 0.162 -12.640 1.00 0.00 O ATOM 539 OD2 ASP A 212 13.103 0.701 -14.683 1.00 0.00 O ATOM 0 H ASP A 212 9.011 3.176 -13.261 1.00 0.00 H new ATOM 0 HA ASP A 212 10.019 0.885 -14.865 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.652 2.715 -14.406 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.398 2.478 -12.688 1.00 0.00 H new ATOM 544 N LEU A 213 9.834 -0.725 -12.856 1.00 0.00 N ATOM 545 CA LEU A 213 9.385 -1.659 -11.831 1.00 0.00 C ATOM 546 C LEU A 213 9.961 -1.334 -10.450 1.00 0.00 C ATOM 547 O LEU A 213 9.560 -1.939 -9.453 1.00 0.00 O ATOM 548 CB LEU A 213 9.744 -3.092 -12.214 1.00 0.00 C ATOM 549 CG LEU A 213 9.247 -3.539 -13.588 1.00 0.00 C ATOM 550 CD1 LEU A 213 9.742 -4.937 -13.907 1.00 0.00 C ATOM 551 CD2 LEU A 213 7.731 -3.481 -13.659 1.00 0.00 C ATOM 0 H LEU A 213 10.422 -1.136 -13.581 1.00 0.00 H new ATOM 0 HA LEU A 213 8.301 -1.558 -11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 213 10.828 -3.199 -12.185 1.00 0.00 H new ATOM 0 HB3 LEU A 213 9.337 -3.766 -11.460 1.00 0.00 H new ATOM 0 HG LEU A 213 9.649 -2.853 -14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 213 9.377 -5.237 -14.889 1.00 0.00 H new ATOM 0 HD12 LEU A 213 10.832 -4.946 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 213 9.373 -5.634 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 213 7.400 -3.804 -14.646 1.00 0.00 H new ATOM 0 HD22 LEU A 213 7.306 -4.139 -12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 213 7.397 -2.459 -13.481 1.00 0.00 H new ATOM 563 N HIS A 214 10.899 -0.396 -10.381 1.00 0.00 N ATOM 564 CA HIS A 214 11.510 -0.026 -9.106 1.00 0.00 C ATOM 565 C HIS A 214 11.041 1.346 -8.620 1.00 0.00 C ATOM 566 O HIS A 214 10.788 1.535 -7.430 1.00 0.00 O ATOM 567 CB HIS A 214 13.037 -0.025 -9.228 1.00 0.00 C ATOM 568 CG HIS A 214 13.641 -1.389 -9.424 1.00 0.00 C ATOM 569 ND1 HIS A 214 14.974 -1.587 -9.712 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.085 -2.627 -9.367 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.213 -2.883 -9.827 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.084 -3.536 -9.617 1.00 0.00 N ATOM 0 H HIS A 214 11.252 0.120 -11.187 1.00 0.00 H new ATOM 0 HA HIS A 214 11.196 -0.770 -8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.323 0.610 -10.066 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.462 0.422 -8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 214 12.049 -2.855 -9.163 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.169 -3.331 -10.054 1.00 0.00 H new ATOM 0 HE2 HIS A 214 13.972 -4.550 -9.637 1.00 0.00 H new ATOM 581 N TRP A 215 10.949 2.307 -9.532 1.00 0.00 N ATOM 582 CA TRP A 215 10.537 3.668 -9.168 1.00 0.00 C ATOM 583 C TRP A 215 9.064 3.931 -9.438 1.00 0.00 C ATOM 584 O TRP A 215 8.701 4.423 -10.502 1.00 0.00 O ATOM 585 CB TRP A 215 11.366 4.698 -9.919 1.00 0.00 C ATOM 586 CG TRP A 215 12.778 4.795 -9.437 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.861 4.099 -9.888 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.245 5.617 -8.376 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.984 4.478 -9.189 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.628 5.403 -8.248 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.622 6.521 -7.530 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.400 6.073 -7.300 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.377 7.180 -6.591 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.756 6.957 -6.480 1.00 0.00 C ATOM 0 H TRP A 215 11.151 2.176 -10.523 1.00 0.00 H new ATOM 0 HA TRP A 215 10.704 3.758 -8.095 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.369 4.447 -10.980 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.890 5.674 -9.824 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.840 3.361 -10.676 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.928 4.126 -9.347 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.560 6.704 -7.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.463 5.901 -7.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.899 7.883 -5.925 1.00 0.00 H new ATOM 0 HH2 TRP A 215 15.321 7.494 -5.732 1.00 0.00 H new ATOM 605 N TRP A 216 8.223 3.619 -8.465 1.00 0.00 N ATOM 606 CA TRP A 216 6.781 3.825 -8.592 1.00 0.00 C ATOM 607 C TRP A 216 6.351 5.165 -7.999 1.00 0.00 C ATOM 608 O TRP A 216 6.432 5.361 -6.792 1.00 0.00 O ATOM 609 CB TRP A 216 6.020 2.718 -7.861 1.00 0.00 C ATOM 610 CG TRP A 216 6.187 1.340 -8.426 1.00 0.00 C ATOM 611 CD1 TRP A 216 7.226 0.856 -9.161 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.276 0.254 -8.254 1.00 0.00 C ATOM 613 NE1 TRP A 216 7.011 -0.468 -9.457 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.819 -0.858 -8.915 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.047 0.124 -7.603 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.173 -2.091 -8.944 1.00 0.00 C ATOM 617 CZ3 TRP A 216 3.406 -1.096 -7.632 1.00 0.00 C ATOM 618 CH2 TRP A 216 3.971 -2.193 -8.299 1.00 0.00 C ATOM 0 H TRP A 216 8.512 3.220 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 216 6.550 3.811 -9.657 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.342 2.706 -6.820 1.00 0.00 H new ATOM 0 HB3 TRP A 216 4.959 2.967 -7.864 1.00 0.00 H new ATOM 0 HD1 TRP A 216 8.090 1.428 -9.466 1.00 0.00 H new ATOM 0 HE1 TRP A 216 7.640 -1.064 -9.995 1.00 0.00 H new ATOM 0 HE3 TRP A 216 3.607 0.964 -7.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.606 -2.937 -9.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.455 -1.209 -7.134 1.00 0.00 H new ATOM 0 HH2 TRP A 216 3.447 -3.137 -8.303 1.00 0.00 H new ATOM 629 N ARG A 217 5.830 6.064 -8.822 1.00 0.00 N ATOM 630 CA ARG A 217 5.340 7.343 -8.312 1.00 0.00 C ATOM 631 C ARG A 217 3.971 7.122 -7.697 1.00 0.00 C ATOM 632 O ARG A 217 3.009 6.871 -8.413 1.00 0.00 O ATOM 633 CB ARG A 217 5.229 8.395 -9.424 1.00 0.00 C ATOM 634 CG ARG A 217 4.535 9.677 -8.973 1.00 0.00 C ATOM 635 CD ARG A 217 5.502 10.750 -8.498 1.00 0.00 C ATOM 636 NE ARG A 217 6.331 11.302 -9.574 1.00 0.00 N ATOM 637 CZ ARG A 217 5.860 12.084 -10.546 1.00 0.00 C ATOM 638 NH1 ARG A 217 4.616 12.538 -10.487 1.00 0.00 N ATOM 639 NH2 ARG A 217 6.659 12.456 -11.542 1.00 0.00 N ATOM 0 H ARG A 217 5.735 5.938 -9.830 1.00 0.00 H new ATOM 0 HA ARG A 217 6.049 7.715 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.228 8.638 -9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.681 7.969 -10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 217 3.943 10.071 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 217 3.840 9.441 -8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 217 4.937 11.558 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 217 6.150 10.330 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 217 7.325 11.075 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 217 4.019 12.289 -9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 217 4.256 13.136 -11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 217 7.630 12.143 -11.561 1.00 0.00 H new ATOM 0 HH22 ARG A 217 6.301 13.054 -12.287 1.00 0.00 H new ATOM 653 N ALA A 218 3.890 7.188 -6.377 1.00 0.00 N ATOM 654 CA ALA A 218 2.628 6.967 -5.685 1.00 0.00 C ATOM 655 C ALA A 218 2.158 8.231 -4.975 1.00 0.00 C ATOM 656 O ALA A 218 2.895 9.207 -4.877 1.00 0.00 O ATOM 657 CB ALA A 218 2.750 5.807 -4.702 1.00 0.00 C ATOM 0 H ALA A 218 4.680 7.392 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 218 1.878 6.708 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.797 5.658 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 218 3.020 4.899 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.521 6.034 -3.966 1.00 0.00 H new ATOM 663 N ARG A 219 0.919 8.200 -4.498 1.00 0.00 N ATOM 664 CA ARG A 219 0.316 9.333 -3.804 1.00 0.00 C ATOM 665 C ARG A 219 -0.309 8.845 -2.502 1.00 0.00 C ATOM 666 O ARG A 219 -1.067 7.874 -2.505 1.00 0.00 O ATOM 667 CB ARG A 219 -0.743 9.953 -4.724 1.00 0.00 C ATOM 668 CG ARG A 219 -1.223 11.345 -4.339 1.00 0.00 C ATOM 669 CD ARG A 219 -2.187 11.321 -3.165 1.00 0.00 C ATOM 670 NE ARG A 219 -3.215 10.286 -3.297 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.195 10.307 -4.200 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.278 11.294 -5.078 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.082 9.330 -4.224 1.00 0.00 N ATOM 0 H ARG A 219 0.304 7.390 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 219 1.065 10.087 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.338 9.996 -5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.606 9.287 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.363 11.966 -4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.711 11.808 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.627 11.156 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.668 12.295 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.178 9.495 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.589 12.046 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -5.031 11.303 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.015 8.564 -3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -5.834 9.341 -4.913 1.00 0.00 H new ATOM 687 N ASP A 220 0.011 9.498 -1.392 1.00 0.00 N ATOM 688 CA ASP A 220 -0.533 9.085 -0.102 1.00 0.00 C ATOM 689 C ASP A 220 -1.889 9.729 0.195 1.00 0.00 C ATOM 690 O ASP A 220 -2.912 9.044 0.200 1.00 0.00 O ATOM 691 CB ASP A 220 0.461 9.352 1.043 1.00 0.00 C ATOM 692 CG ASP A 220 1.256 10.629 0.899 1.00 0.00 C ATOM 693 OD1 ASP A 220 0.648 11.709 0.802 1.00 0.00 O ATOM 694 OD2 ASP A 220 2.497 10.552 0.910 1.00 0.00 O ATOM 0 H ASP A 220 0.635 10.304 -1.356 1.00 0.00 H new ATOM 0 HA ASP A 220 -0.695 8.009 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -0.089 9.385 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 220 1.154 8.513 1.108 1.00 0.00 H new ATOM 699 N LYS A 221 -1.893 11.031 0.465 1.00 0.00 N ATOM 700 CA LYS A 221 -3.122 11.754 0.792 1.00 0.00 C ATOM 701 C LYS A 221 -4.019 11.961 -0.424 1.00 0.00 C ATOM 702 O LYS A 221 -4.665 11.032 -0.905 1.00 0.00 O ATOM 703 CB LYS A 221 -2.794 13.112 1.418 1.00 0.00 C ATOM 704 CG LYS A 221 -2.035 13.029 2.732 1.00 0.00 C ATOM 705 CD LYS A 221 -1.962 14.388 3.414 1.00 0.00 C ATOM 706 CE LYS A 221 -3.344 14.918 3.771 1.00 0.00 C ATOM 707 NZ LYS A 221 -3.319 16.364 4.120 1.00 0.00 N ATOM 0 H LYS A 221 -1.054 11.612 0.464 1.00 0.00 H new ATOM 0 HA LYS A 221 -3.666 11.137 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -2.205 13.693 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -3.724 13.657 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -2.525 12.314 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -1.027 12.656 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -1.359 14.309 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -1.459 15.098 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -4.020 14.761 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -3.743 14.350 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -4.216 16.806 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -3.192 16.471 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -2.531 16.827 3.624 1.00 0.00 H new ATOM 721 N TYR A 222 -4.074 13.199 -0.896 1.00 0.00 N ATOM 722 CA TYR A 222 -4.910 13.556 -2.036 1.00 0.00 C ATOM 723 C TYR A 222 -4.266 14.687 -2.829 1.00 0.00 C ATOM 724 O TYR A 222 -4.946 15.572 -3.344 1.00 0.00 O ATOM 725 CB TYR A 222 -6.299 13.969 -1.538 1.00 0.00 C ATOM 726 CG TYR A 222 -6.259 14.825 -0.286 1.00 0.00 C ATOM 727 CD1 TYR A 222 -5.795 16.134 -0.325 1.00 0.00 C ATOM 728 CD2 TYR A 222 -6.663 14.311 0.940 1.00 0.00 C ATOM 729 CE1 TYR A 222 -5.740 16.905 0.820 1.00 0.00 C ATOM 730 CE2 TYR A 222 -6.612 15.077 2.087 1.00 0.00 C ATOM 731 CZ TYR A 222 -6.149 16.370 2.022 1.00 0.00 C ATOM 732 OH TYR A 222 -6.090 17.131 3.164 1.00 0.00 O ATOM 0 H TYR A 222 -3.546 13.979 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.011 12.694 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.812 14.517 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.887 13.073 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -5.472 16.556 -1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -7.023 13.294 0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -5.378 17.922 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -6.934 14.663 3.031 1.00 0.00 H new ATOM 0 HH TYR A 222 -6.416 16.606 3.924 1.00 0.00 H new ATOM 742 N GLY A 223 -2.943 14.651 -2.907 1.00 0.00 N ATOM 743 CA GLY A 223 -2.204 15.674 -3.622 1.00 0.00 C ATOM 744 C GLY A 223 -0.715 15.471 -3.484 1.00 0.00 C ATOM 745 O GLY A 223 0.041 15.673 -4.433 1.00 0.00 O ATOM 0 H GLY A 223 -2.364 13.926 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -2.480 15.655 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.476 16.657 -3.239 1.00 0.00 H new ATOM 749 N SER A 224 -0.302 15.053 -2.298 1.00 0.00 N ATOM 750 CA SER A 224 1.098 14.796 -2.018 1.00 0.00 C ATOM 751 C SER A 224 1.532 13.472 -2.645 1.00 0.00 C ATOM 752 O SER A 224 1.050 12.405 -2.257 1.00 0.00 O ATOM 753 CB SER A 224 1.302 14.773 -0.507 1.00 0.00 C ATOM 754 OG SER A 224 0.176 14.199 0.137 1.00 0.00 O ATOM 0 H SER A 224 -0.925 14.884 -1.508 1.00 0.00 H new ATOM 0 HA SER A 224 1.711 15.586 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 224 2.198 14.202 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 224 1.461 15.787 -0.140 1.00 0.00 H new ATOM 0 HG SER A 224 0.436 13.352 0.557 1.00 0.00 H new ATOM 760 N GLU A 225 2.421 13.549 -3.628 1.00 0.00 N ATOM 761 CA GLU A 225 2.897 12.358 -4.322 1.00 0.00 C ATOM 762 C GLU A 225 4.388 12.438 -4.643 1.00 0.00 C ATOM 763 O GLU A 225 5.000 13.506 -4.568 1.00 0.00 O ATOM 764 CB GLU A 225 2.090 12.134 -5.603 1.00 0.00 C ATOM 765 CG GLU A 225 1.711 13.414 -6.334 1.00 0.00 C ATOM 766 CD GLU A 225 2.874 14.054 -7.055 1.00 0.00 C ATOM 767 OE1 GLU A 225 3.471 13.392 -7.926 1.00 0.00 O ATOM 768 OE2 GLU A 225 3.186 15.220 -6.751 1.00 0.00 O ATOM 0 H GLU A 225 2.827 14.423 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 225 2.753 11.510 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.668 11.502 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 225 1.180 11.588 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.922 13.194 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 225 1.300 14.126 -5.618 1.00 0.00 H new ATOM 775 N GLY A 226 4.963 11.300 -4.996 1.00 0.00 N ATOM 776 CA GLY A 226 6.371 11.244 -5.323 1.00 0.00 C ATOM 777 C GLY A 226 6.829 9.827 -5.597 1.00 0.00 C ATOM 778 O GLY A 226 6.166 8.873 -5.193 1.00 0.00 O ATOM 0 H GLY A 226 4.475 10.407 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.566 11.864 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.952 11.661 -4.500 1.00 0.00 H new ATOM 782 N TYR A 227 7.951 9.685 -6.295 1.00 0.00 N ATOM 783 CA TYR A 227 8.486 8.367 -6.619 1.00 0.00 C ATOM 784 C TYR A 227 8.791 7.580 -5.355 1.00 0.00 C ATOM 785 O TYR A 227 9.268 8.127 -4.362 1.00 0.00 O ATOM 786 CB TYR A 227 9.755 8.470 -7.469 1.00 0.00 C ATOM 787 CG TYR A 227 9.519 8.998 -8.862 1.00 0.00 C ATOM 788 CD1 TYR A 227 8.547 8.448 -9.684 1.00 0.00 C ATOM 789 CD2 TYR A 227 10.277 10.043 -9.355 1.00 0.00 C ATOM 790 CE1 TYR A 227 8.329 8.932 -10.958 1.00 0.00 C ATOM 791 CE2 TYR A 227 10.071 10.534 -10.631 1.00 0.00 C ATOM 792 CZ TYR A 227 9.096 9.975 -11.428 1.00 0.00 C ATOM 793 OH TYR A 227 8.877 10.471 -12.693 1.00 0.00 O ATOM 0 H TYR A 227 8.507 10.465 -6.647 1.00 0.00 H new ATOM 0 HA TYR A 227 7.721 7.845 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.468 9.119 -6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.215 7.484 -7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 227 7.949 7.625 -9.320 1.00 0.00 H new ATOM 0 HD2 TYR A 227 11.043 10.483 -8.734 1.00 0.00 H new ATOM 0 HE1 TYR A 227 7.563 8.496 -11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 227 10.671 11.352 -11.001 1.00 0.00 H new ATOM 0 HH TYR A 227 9.502 11.205 -12.869 1.00 0.00 H new ATOM 803 N ILE A 228 8.489 6.300 -5.399 1.00 0.00 N ATOM 804 CA ILE A 228 8.701 5.425 -4.272 1.00 0.00 C ATOM 805 C ILE A 228 9.362 4.139 -4.705 1.00 0.00 C ATOM 806 O ILE A 228 8.843 3.436 -5.572 1.00 0.00 O ATOM 807 CB ILE A 228 7.370 5.037 -3.602 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.579 6.278 -3.187 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.614 4.147 -2.400 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.365 5.967 -2.346 1.00 0.00 C ATOM 0 H ILE A 228 8.090 5.840 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 228 9.333 5.974 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 228 6.780 4.484 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.235 6.947 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.263 6.814 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.660 3.885 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 228 8.126 3.239 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 228 8.232 4.677 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.853 6.894 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.689 5.323 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.675 5.459 -1.433 1.00 0.00 H new ATOM 822 N PRO A 229 10.482 3.774 -4.077 1.00 0.00 N ATOM 823 CA PRO A 229 11.144 2.519 -4.377 1.00 0.00 C ATOM 824 C PRO A 229 10.254 1.362 -3.960 1.00 0.00 C ATOM 825 O PRO A 229 10.119 1.090 -2.764 1.00 0.00 O ATOM 826 CB PRO A 229 12.405 2.525 -3.511 1.00 0.00 C ATOM 827 CG PRO A 229 12.532 3.922 -2.988 1.00 0.00 C ATOM 828 CD PRO A 229 11.148 4.515 -3.003 1.00 0.00 C ATOM 0 HA PRO A 229 11.365 2.410 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.322 1.808 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.282 2.244 -4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 229 12.942 3.922 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 229 13.211 4.507 -3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.642 4.382 -2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.170 5.586 -3.205 1.00 0.00 H new ATOM 836 N SER A 230 9.630 0.711 -4.935 1.00 0.00 N ATOM 837 CA SER A 230 8.725 -0.419 -4.684 1.00 0.00 C ATOM 838 C SER A 230 9.388 -1.489 -3.806 1.00 0.00 C ATOM 839 O SER A 230 8.714 -2.378 -3.289 1.00 0.00 O ATOM 840 CB SER A 230 8.270 -1.023 -6.017 1.00 0.00 C ATOM 841 OG SER A 230 7.125 -1.842 -5.855 1.00 0.00 O ATOM 0 H SER A 230 9.733 0.946 -5.922 1.00 0.00 H new ATOM 0 HA SER A 230 7.856 -0.046 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 230 8.049 -0.223 -6.723 1.00 0.00 H new ATOM 0 HB3 SER A 230 9.081 -1.611 -6.446 1.00 0.00 H new ATOM 0 HG SER A 230 6.549 -1.759 -6.644 1.00 0.00 H new ATOM 847 N ASN A 231 10.700 -1.372 -3.614 1.00 0.00 N ATOM 848 CA ASN A 231 11.447 -2.291 -2.772 1.00 0.00 C ATOM 849 C ASN A 231 10.916 -2.235 -1.341 1.00 0.00 C ATOM 850 O ASN A 231 10.897 -3.241 -0.625 1.00 0.00 O ATOM 851 CB ASN A 231 12.937 -1.926 -2.792 1.00 0.00 C ATOM 852 CG ASN A 231 13.811 -2.943 -2.083 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.677 -3.179 -0.882 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.724 -3.550 -2.825 1.00 0.00 N ATOM 0 H ASN A 231 11.269 -0.639 -4.038 1.00 0.00 H new ATOM 0 HA ASN A 231 11.325 -3.304 -3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.267 -1.831 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.072 -0.951 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 231 15.347 -4.240 -2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.805 -3.328 -3.817 1.00 0.00 H new ATOM 861 N TYR A 232 10.491 -1.044 -0.930 1.00 0.00 N ATOM 862 CA TYR A 232 9.965 -0.822 0.412 1.00 0.00 C ATOM 863 C TYR A 232 8.443 -0.951 0.457 1.00 0.00 C ATOM 864 O TYR A 232 7.842 -0.845 1.527 1.00 0.00 O ATOM 865 CB TYR A 232 10.386 0.565 0.904 1.00 0.00 C ATOM 866 CG TYR A 232 11.885 0.759 0.928 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.676 0.124 1.877 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.512 1.557 -0.017 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.046 0.282 1.882 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.882 1.724 -0.016 1.00 0.00 C ATOM 871 CZ TYR A 232 14.644 1.081 0.936 1.00 0.00 C ATOM 872 OH TYR A 232 16.009 1.231 0.931 1.00 0.00 O ATOM 0 H TYR A 232 10.502 -0.209 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 232 10.378 -1.590 1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 232 9.938 1.323 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 232 9.990 0.723 1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.211 -0.503 2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.917 2.057 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.647 -0.220 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.354 2.354 -0.756 1.00 0.00 H new ATOM 0 HH TYR A 232 16.270 1.827 0.198 1.00 0.00 H new ATOM 882 N VAL A 233 7.821 -1.184 -0.697 1.00 0.00 N ATOM 883 CA VAL A 233 6.368 -1.330 -0.761 1.00 0.00 C ATOM 884 C VAL A 233 5.960 -2.608 -1.483 1.00 0.00 C ATOM 885 O VAL A 233 6.768 -3.512 -1.709 1.00 0.00 O ATOM 886 CB VAL A 233 5.680 -0.134 -1.468 1.00 0.00 C ATOM 887 CG1 VAL A 233 5.907 1.154 -0.711 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.149 0.019 -2.903 1.00 0.00 C ATOM 0 H VAL A 233 8.296 -1.275 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 233 6.037 -1.368 0.277 1.00 0.00 H new ATOM 0 HB VAL A 233 4.612 -0.349 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.412 1.974 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.496 1.062 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 233 6.976 1.356 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.643 0.868 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 233 7.226 0.187 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.915 -0.888 -3.461 1.00 0.00 H new ATOM 898 N THR A 234 4.693 -2.642 -1.849 1.00 0.00 N ATOM 899 CA THR A 234 4.082 -3.742 -2.567 1.00 0.00 C ATOM 900 C THR A 234 2.708 -3.265 -2.995 1.00 0.00 C ATOM 901 O THR A 234 2.240 -2.240 -2.499 1.00 0.00 O ATOM 902 CB THR A 234 3.967 -5.004 -1.684 1.00 0.00 C ATOM 903 OG1 THR A 234 3.425 -6.093 -2.416 1.00 0.00 O ATOM 904 CG2 THR A 234 3.096 -4.810 -0.461 1.00 0.00 C ATOM 0 H THR A 234 4.042 -1.882 -1.649 1.00 0.00 H new ATOM 0 HA THR A 234 4.693 -4.023 -3.425 1.00 0.00 H new ATOM 0 HB THR A 234 4.987 -5.210 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.364 -6.880 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.061 -5.737 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.511 -4.016 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.087 -4.538 -0.772 1.00 0.00 H new ATOM 912 N GLY A 235 2.055 -3.986 -3.881 1.00 0.00 N ATOM 913 CA GLY A 235 0.731 -3.579 -4.291 1.00 0.00 C ATOM 914 C GLY A 235 -0.283 -4.127 -3.323 1.00 0.00 C ATOM 915 O GLY A 235 -0.458 -3.602 -2.228 1.00 0.00 O ATOM 0 H GLY A 235 2.409 -4.836 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.667 -2.491 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.522 -3.942 -5.297 1.00 0.00 H new ATOM 919 N LYS A 236 -0.908 -5.215 -3.707 1.00 0.00 N ATOM 920 CA LYS A 236 -1.866 -5.896 -2.861 1.00 0.00 C ATOM 921 C LYS A 236 -1.182 -7.122 -2.256 1.00 0.00 C ATOM 922 O LYS A 236 -1.789 -8.183 -2.107 1.00 0.00 O ATOM 923 CB LYS A 236 -3.096 -6.282 -3.680 1.00 0.00 C ATOM 924 CG LYS A 236 -3.773 -5.075 -4.323 1.00 0.00 C ATOM 925 CD LYS A 236 -4.401 -5.426 -5.656 1.00 0.00 C ATOM 926 CE LYS A 236 -4.950 -4.184 -6.345 1.00 0.00 C ATOM 927 NZ LYS A 236 -5.197 -4.421 -7.789 1.00 0.00 N ATOM 0 H LYS A 236 -0.768 -5.656 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.204 -5.245 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -2.804 -6.988 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.811 -6.795 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -4.539 -4.687 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.041 -4.280 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -3.660 -5.904 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.204 -6.147 -5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -5.879 -3.881 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -4.245 -3.361 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -5.570 -3.553 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -4.306 -4.686 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -5.888 -5.190 -7.901 1.00 0.00 H new