USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.023 K(o=-0.023,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 77:sc= 0.862 USER MOD Single : A 29 ASN : amide:sc= -18.1! C(o=-18!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -160:sc= -0.966! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.377 (180deg=-1.17!) USER MOD Single : A 49 GLN : amide:sc= -3.56 K(o=-3.6,f=-6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -145:sc= 1.28 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.42) USER MOD Single : A 61 THR OG1 : rot 96:sc= 1.27 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.112 -6.412 1.588 1.00 0.00 N ATOM 121 CA LEU A 9 -8.612 -5.249 2.304 1.00 0.00 C ATOM 122 C LEU A 9 -8.272 -4.144 1.324 1.00 0.00 C ATOM 123 O LEU A 9 -7.759 -4.403 0.238 1.00 0.00 O ATOM 124 CB LEU A 9 -7.379 -5.617 3.131 1.00 0.00 C ATOM 125 CG LEU A 9 -7.660 -6.493 4.356 1.00 0.00 C ATOM 126 CD1 LEU A 9 -7.267 -7.938 4.083 1.00 0.00 C ATOM 127 CD2 LEU A 9 -6.921 -5.960 5.575 1.00 0.00 C ATOM 0 HA LEU A 9 -9.390 -4.897 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.669 -6.136 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.895 -4.698 3.463 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.730 -6.462 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.474 -8.544 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.842 -8.318 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.203 -7.988 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.133 -6.595 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.849 -5.960 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.252 -4.943 5.785 1.00 0.00 H new ATOM 139 N TYR A 10 -8.546 -2.908 1.712 1.00 0.00 N ATOM 140 CA TYR A 10 -8.251 -1.776 0.859 1.00 0.00 C ATOM 141 C TYR A 10 -6.972 -1.102 1.315 1.00 0.00 C ATOM 142 O TYR A 10 -6.939 -0.430 2.346 1.00 0.00 O ATOM 143 CB TYR A 10 -9.415 -0.786 0.863 1.00 0.00 C ATOM 144 CG TYR A 10 -10.753 -1.443 0.602 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.085 -1.903 -0.664 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.679 -1.606 1.622 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.303 -2.507 -0.910 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.901 -2.209 1.385 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.208 -2.657 0.119 1.00 0.00 C ATOM 150 OH TYR A 10 -14.423 -3.259 -0.119 1.00 0.00 O ATOM 0 H TYR A 10 -8.970 -2.668 2.608 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.112 -2.131 -0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.448 -0.277 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.238 -0.023 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.378 -1.787 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.442 -1.257 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.545 -2.859 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.612 -2.328 2.189 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.942 -3.287 0.712 1.00 0.00 H new ATOM 160 N LYS A 11 -5.917 -1.286 0.537 1.00 0.00 N ATOM 161 CA LYS A 11 -4.621 -0.695 0.856 1.00 0.00 C ATOM 162 C LYS A 11 -4.085 0.095 -0.332 1.00 0.00 C ATOM 163 O LYS A 11 -4.453 -0.170 -1.476 1.00 0.00 O ATOM 164 CB LYS A 11 -3.625 -1.784 1.254 1.00 0.00 C ATOM 165 CG LYS A 11 -4.191 -2.784 2.252 1.00 0.00 C ATOM 166 CD LYS A 11 -3.252 -3.962 2.455 1.00 0.00 C ATOM 167 CE LYS A 11 -4.015 -5.230 2.802 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.233 -6.122 3.703 1.00 0.00 N ATOM 0 H LYS A 11 -5.930 -1.839 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.752 -0.013 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.304 -2.317 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.738 -1.316 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.365 -2.288 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.157 -3.144 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.669 -4.124 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.545 -3.732 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.958 -4.966 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.263 -5.767 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.789 -6.975 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.345 -6.395 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.018 -5.620 4.588 1.00 0.00 H new ATOM 182 N VAL A 12 -3.213 1.065 -0.064 1.00 0.00 N ATOM 183 CA VAL A 12 -2.641 1.874 -1.134 1.00 0.00 C ATOM 184 C VAL A 12 -1.174 1.509 -1.344 1.00 0.00 C ATOM 185 O VAL A 12 -0.443 1.310 -0.384 1.00 0.00 O ATOM 186 CB VAL A 12 -2.761 3.397 -0.863 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.185 4.131 -2.120 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.745 3.709 0.256 1.00 0.00 C ATOM 0 H VAL A 12 -2.891 1.307 0.873 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.215 1.655 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.774 3.737 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.264 5.198 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.444 3.969 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.152 3.755 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.794 4.787 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.733 3.336 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.414 3.228 1.176 1.00 0.00 H new ATOM 198 N GLN A 13 -0.752 1.404 -2.600 1.00 0.00 N ATOM 199 CA GLN A 13 0.630 1.044 -2.917 1.00 0.00 C ATOM 200 C GLN A 13 1.229 2.013 -3.931 1.00 0.00 C ATOM 201 O GLN A 13 0.598 2.346 -4.933 1.00 0.00 O ATOM 202 CB GLN A 13 0.691 -0.384 -3.462 1.00 0.00 C ATOM 203 CG GLN A 13 2.105 -0.871 -3.734 1.00 0.00 C ATOM 204 CD GLN A 13 2.166 -2.362 -3.999 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.364 -3.132 -3.471 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.122 -2.779 -4.822 1.00 0.00 N ATOM 0 H GLN A 13 -1.344 1.562 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 13 1.214 1.103 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.215 -1.057 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.113 -0.437 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.511 -0.336 -4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.739 -0.631 -2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.766 -2.106 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.212 -3.772 -5.038 1.00 0.00 H new ATOM 215 N ILE A 14 2.446 2.479 -3.658 1.00 0.00 N ATOM 216 CA ILE A 14 3.106 3.428 -4.549 1.00 0.00 C ATOM 217 C ILE A 14 4.214 2.792 -5.390 1.00 0.00 C ATOM 218 O ILE A 14 4.778 3.455 -6.260 1.00 0.00 O ATOM 219 CB ILE A 14 3.688 4.627 -3.776 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.613 4.139 -2.652 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.565 5.502 -3.243 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.103 4.411 -1.252 1.00 0.00 C ATOM 0 H ILE A 14 2.990 2.218 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 14 2.324 3.774 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 14 4.288 5.234 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.767 3.066 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.587 4.615 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.988 6.346 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.965 5.871 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.935 4.917 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.820 4.032 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.977 5.485 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.144 3.912 -1.111 1.00 0.00 H new ATOM 234 N GLY A 15 4.521 1.511 -5.161 1.00 0.00 N ATOM 235 CA GLY A 15 5.556 0.877 -5.966 1.00 0.00 C ATOM 236 C GLY A 15 6.183 -0.353 -5.337 1.00 0.00 C ATOM 237 O GLY A 15 5.915 -0.687 -4.182 1.00 0.00 O ATOM 0 H GLY A 15 4.086 0.918 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.128 0.598 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.341 1.607 -6.165 1.00 0.00 H new ATOM 241 N ALA A 16 7.051 -1.001 -6.113 1.00 0.00 N ATOM 242 CA ALA A 16 7.782 -2.186 -5.673 1.00 0.00 C ATOM 243 C ALA A 16 9.118 -2.260 -6.413 1.00 0.00 C ATOM 244 O ALA A 16 9.183 -1.960 -7.605 1.00 0.00 O ATOM 245 CB ALA A 16 6.964 -3.453 -5.900 1.00 0.00 C ATOM 0 H ALA A 16 7.267 -0.717 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 16 7.969 -2.108 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.534 -4.319 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.032 -3.390 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.741 -3.556 -6.962 1.00 0.00 H new ATOM 251 N PHE A 17 10.179 -2.652 -5.719 1.00 0.00 N ATOM 252 CA PHE A 17 11.496 -2.746 -6.347 1.00 0.00 C ATOM 253 C PHE A 17 12.297 -3.913 -5.786 1.00 0.00 C ATOM 254 O PHE A 17 12.156 -4.270 -4.621 1.00 0.00 O ATOM 255 CB PHE A 17 12.280 -1.447 -6.150 1.00 0.00 C ATOM 256 CG PHE A 17 11.446 -0.209 -6.296 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.799 0.337 -5.200 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.311 0.413 -7.528 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.033 1.480 -5.329 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.546 1.555 -7.662 1.00 0.00 C ATOM 261 CZ PHE A 17 9.906 2.089 -6.561 1.00 0.00 C ATOM 0 H PHE A 17 10.158 -2.908 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 17 11.338 -2.915 -7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.733 -1.454 -5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.095 -1.412 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.894 -0.136 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.810 -0.000 -8.392 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.534 1.896 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.448 2.030 -8.627 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.307 2.982 -6.664 1.00 0.00 H new ATOM 271 N LYS A 18 13.146 -4.493 -6.624 1.00 0.00 N ATOM 272 CA LYS A 18 13.979 -5.617 -6.215 1.00 0.00 C ATOM 273 C LYS A 18 14.916 -5.231 -5.071 1.00 0.00 C ATOM 274 O LYS A 18 15.503 -6.098 -4.425 1.00 0.00 O ATOM 275 CB LYS A 18 14.796 -6.127 -7.404 1.00 0.00 C ATOM 276 CG LYS A 18 15.669 -7.327 -7.073 1.00 0.00 C ATOM 277 CD LYS A 18 16.410 -7.832 -8.301 1.00 0.00 C ATOM 278 CE LYS A 18 16.941 -9.241 -8.091 1.00 0.00 C ATOM 279 NZ LYS A 18 16.782 -10.081 -9.310 1.00 0.00 N ATOM 0 H LYS A 18 13.276 -4.203 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 18 13.319 -6.409 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.116 -6.395 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.428 -5.319 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.387 -7.054 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.051 -8.127 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.741 -7.819 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.238 -7.160 -8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.995 -9.195 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.415 -9.707 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.156 -11.034 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.774 -10.146 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.305 -9.650 -10.099 1.00 0.00 H new ATOM 293 N VAL A 19 15.060 -3.930 -4.827 1.00 0.00 N ATOM 294 CA VAL A 19 15.938 -3.451 -3.765 1.00 0.00 C ATOM 295 C VAL A 19 15.151 -2.920 -2.572 1.00 0.00 C ATOM 296 O VAL A 19 14.258 -2.085 -2.720 1.00 0.00 O ATOM 297 CB VAL A 19 16.876 -2.343 -4.274 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.925 -2.006 -3.225 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.535 -2.755 -5.582 1.00 0.00 C ATOM 0 H VAL A 19 14.583 -3.194 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 19 16.528 -4.310 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 19 16.280 -1.449 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.579 -1.220 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.433 -1.661 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.516 -2.894 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.194 -1.957 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.116 -3.664 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.768 -2.939 -6.334 1.00 0.00 H new ATOM 309 N LYS A 20 15.501 -3.408 -1.387 1.00 0.00 N ATOM 310 CA LYS A 20 14.852 -2.997 -0.152 1.00 0.00 C ATOM 311 C LYS A 20 15.192 -1.552 0.175 1.00 0.00 C ATOM 312 O LYS A 20 14.322 -0.781 0.567 1.00 0.00 O ATOM 313 CB LYS A 20 15.282 -3.906 0.999 1.00 0.00 C ATOM 314 CG LYS A 20 14.574 -3.604 2.310 1.00 0.00 C ATOM 315 CD LYS A 20 15.562 -3.425 3.453 1.00 0.00 C ATOM 316 CE LYS A 20 15.834 -1.955 3.728 1.00 0.00 C ATOM 317 NZ LYS A 20 16.357 -1.736 5.105 1.00 0.00 N ATOM 0 H LYS A 20 16.241 -4.098 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 20 13.774 -3.080 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.091 -4.943 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.358 -3.808 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.976 -2.700 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.885 -4.415 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.169 -3.898 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.497 -3.930 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.553 -1.577 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.915 -1.384 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.530 -0.721 5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.660 -2.074 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.247 -2.260 5.226 1.00 0.00 H new ATOM 331 N ALA A 21 16.460 -1.182 0.002 1.00 0.00 N ATOM 332 CA ALA A 21 16.891 0.184 0.270 1.00 0.00 C ATOM 333 C ALA A 21 16.038 1.161 -0.527 1.00 0.00 C ATOM 334 O ALA A 21 15.758 2.275 -0.080 1.00 0.00 O ATOM 335 CB ALA A 21 18.362 0.355 -0.072 1.00 0.00 C ATOM 0 H ALA A 21 17.200 -1.806 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 21 16.764 0.393 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.667 1.381 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.958 -0.329 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.518 0.136 -1.128 1.00 0.00 H new ATOM 341 N ASN A 22 15.604 0.717 -1.700 1.00 0.00 N ATOM 342 CA ASN A 22 14.755 1.528 -2.554 1.00 0.00 C ATOM 343 C ASN A 22 13.333 1.505 -2.017 1.00 0.00 C ATOM 344 O ASN A 22 12.617 2.505 -2.077 1.00 0.00 O ATOM 345 CB ASN A 22 14.785 1.005 -3.993 1.00 0.00 C ATOM 346 CG ASN A 22 16.113 1.265 -4.675 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.177 1.078 -4.083 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.061 1.700 -5.929 1.00 0.00 N ATOM 0 H ASN A 22 15.828 -0.203 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 22 15.126 2.553 -2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.584 -0.066 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.987 1.478 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.924 1.892 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.158 1.842 -6.383 1.00 0.00 H new ATOM 355 N ALA A 23 12.937 0.357 -1.468 1.00 0.00 N ATOM 356 CA ALA A 23 11.602 0.213 -0.900 1.00 0.00 C ATOM 357 C ALA A 23 11.485 0.988 0.415 1.00 0.00 C ATOM 358 O ALA A 23 10.386 1.293 0.873 1.00 0.00 O ATOM 359 CB ALA A 23 11.273 -1.258 -0.684 1.00 0.00 C ATOM 0 H ALA A 23 13.518 -0.479 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 23 10.883 0.630 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.273 -1.349 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.311 -1.783 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.999 -1.696 0.001 1.00 0.00 H new ATOM 365 N ASP A 24 12.633 1.307 1.012 1.00 0.00 N ATOM 366 CA ASP A 24 12.667 2.049 2.267 1.00 0.00 C ATOM 367 C ASP A 24 12.587 3.547 2.003 1.00 0.00 C ATOM 368 O ASP A 24 11.932 4.284 2.740 1.00 0.00 O ATOM 369 CB ASP A 24 13.942 1.719 3.046 1.00 0.00 C ATOM 370 CG ASP A 24 13.674 1.507 4.525 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.792 0.687 4.857 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.346 2.162 5.348 1.00 0.00 O ATOM 0 H ASP A 24 13.552 1.062 0.644 1.00 0.00 H new ATOM 0 HA ASP A 24 11.804 1.754 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.398 0.821 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.661 2.529 2.922 1.00 0.00 H new ATOM 377 N SER A 25 13.241 3.989 0.933 1.00 0.00 N ATOM 378 CA SER A 25 13.219 5.399 0.562 1.00 0.00 C ATOM 379 C SER A 25 11.803 5.802 0.178 1.00 0.00 C ATOM 380 O SER A 25 11.350 6.908 0.478 1.00 0.00 O ATOM 381 CB SER A 25 14.178 5.663 -0.599 1.00 0.00 C ATOM 382 OG SER A 25 14.376 7.054 -0.791 1.00 0.00 O ATOM 0 H SER A 25 13.789 3.395 0.311 1.00 0.00 H new ATOM 0 HA SER A 25 13.544 5.995 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.135 5.180 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.780 5.220 -1.512 1.00 0.00 H new ATOM 0 HG SER A 25 14.994 7.196 -1.538 1.00 0.00 H new ATOM 388 N LEU A 26 11.107 4.882 -0.479 1.00 0.00 N ATOM 389 CA LEU A 26 9.733 5.108 -0.903 1.00 0.00 C ATOM 390 C LEU A 26 8.810 5.176 0.313 1.00 0.00 C ATOM 391 O LEU A 26 8.033 6.116 0.466 1.00 0.00 O ATOM 392 CB LEU A 26 9.293 3.988 -1.850 1.00 0.00 C ATOM 393 CG LEU A 26 7.915 4.167 -2.494 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.828 5.486 -3.245 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.616 3.005 -3.427 1.00 0.00 C ATOM 0 H LEU A 26 11.477 3.965 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 26 9.674 6.059 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.035 3.895 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.297 3.048 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 26 7.169 4.183 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.839 5.586 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.998 6.311 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.584 5.509 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.634 3.144 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.373 2.963 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.627 2.073 -2.862 1.00 0.00 H new ATOM 407 N ALA A 27 8.915 4.183 1.189 1.00 0.00 N ATOM 408 CA ALA A 27 8.099 4.154 2.397 1.00 0.00 C ATOM 409 C ALA A 27 8.303 5.430 3.213 1.00 0.00 C ATOM 410 O ALA A 27 7.424 5.850 3.969 1.00 0.00 O ATOM 411 CB ALA A 27 8.438 2.929 3.233 1.00 0.00 C ATOM 0 H ALA A 27 9.552 3.393 1.087 1.00 0.00 H new ATOM 0 HA ALA A 27 7.050 4.097 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.821 2.920 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.245 2.027 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.490 2.961 3.515 1.00 0.00 H new ATOM 417 N SER A 28 9.472 6.042 3.046 1.00 0.00 N ATOM 418 CA SER A 28 9.806 7.271 3.756 1.00 0.00 C ATOM 419 C SER A 28 9.068 8.467 3.163 1.00 0.00 C ATOM 420 O SER A 28 8.587 9.334 3.892 1.00 0.00 O ATOM 421 CB SER A 28 11.316 7.516 3.710 1.00 0.00 C ATOM 422 OG SER A 28 12.014 6.548 4.475 1.00 0.00 O ATOM 0 H SER A 28 10.206 5.705 2.423 1.00 0.00 H new ATOM 0 HA SER A 28 9.492 7.155 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.661 7.485 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.537 8.513 4.090 1.00 0.00 H new ATOM 0 HG SER A 28 12.054 5.705 3.978 1.00 0.00 H new ATOM 428 N ASN A 29 8.977 8.510 1.835 1.00 0.00 N ATOM 429 CA ASN A 29 8.293 9.606 1.158 1.00 0.00 C ATOM 430 C ASN A 29 6.839 9.684 1.597 1.00 0.00 C ATOM 431 O ASN A 29 6.342 10.753 1.953 1.00 0.00 O ATOM 432 CB ASN A 29 8.400 9.450 -0.364 1.00 0.00 C ATOM 433 CG ASN A 29 7.454 8.417 -0.956 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.889 7.361 -1.406 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.164 8.723 -0.981 1.00 0.00 N ATOM 0 H ASN A 29 9.366 7.803 1.211 1.00 0.00 H new ATOM 0 HA ASN A 29 8.779 10.541 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.203 10.415 -0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.424 9.176 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.493 8.070 -1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.843 9.612 -0.596 1.00 0.00 H new ATOM 442 N ALA A 30 6.164 8.544 1.576 1.00 0.00 N ATOM 443 CA ALA A 30 4.770 8.483 1.983 1.00 0.00 C ATOM 444 C ALA A 30 4.626 8.892 3.441 1.00 0.00 C ATOM 445 O ALA A 30 3.677 9.581 3.814 1.00 0.00 O ATOM 446 CB ALA A 30 4.212 7.087 1.762 1.00 0.00 C ATOM 0 H ALA A 30 6.559 7.651 1.282 1.00 0.00 H new ATOM 0 HA ALA A 30 4.199 9.181 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.167 7.059 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.284 6.830 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.784 6.369 2.350 1.00 0.00 H new ATOM 452 N GLU A 31 5.581 8.465 4.262 1.00 0.00 N ATOM 453 CA GLU A 31 5.567 8.794 5.684 1.00 0.00 C ATOM 454 C GLU A 31 5.479 10.306 5.878 1.00 0.00 C ATOM 455 O GLU A 31 4.810 10.790 6.790 1.00 0.00 O ATOM 456 CB GLU A 31 6.819 8.248 6.372 1.00 0.00 C ATOM 457 CG GLU A 31 6.791 8.384 7.886 1.00 0.00 C ATOM 458 CD GLU A 31 8.174 8.561 8.483 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.852 9.547 8.129 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.579 7.709 9.302 1.00 0.00 O ATOM 0 H GLU A 31 6.372 7.892 3.968 1.00 0.00 H new ATOM 0 HA GLU A 31 4.690 8.330 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.936 7.196 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.693 8.771 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.170 9.237 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.324 7.499 8.318 1.00 0.00 H new ATOM 467 N ALA A 32 6.157 11.039 5.001 1.00 0.00 N ATOM 468 CA ALA A 32 6.161 12.496 5.048 1.00 0.00 C ATOM 469 C ALA A 32 4.738 13.031 5.040 1.00 0.00 C ATOM 470 O ALA A 32 4.366 13.849 5.882 1.00 0.00 O ATOM 471 CB ALA A 32 6.951 13.063 3.878 1.00 0.00 C ATOM 0 H ALA A 32 6.715 10.644 4.244 1.00 0.00 H new ATOM 0 HA ALA A 32 6.642 12.811 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.944 14.152 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.979 12.704 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.497 12.740 2.941 1.00 0.00 H new ATOM 477 N LYS A 33 3.934 12.542 4.100 1.00 0.00 N ATOM 478 CA LYS A 33 2.542 12.958 4.011 1.00 0.00 C ATOM 479 C LYS A 33 1.823 12.552 5.287 1.00 0.00 C ATOM 480 O LYS A 33 0.861 13.193 5.711 1.00 0.00 O ATOM 481 CB LYS A 33 1.863 12.316 2.806 1.00 0.00 C ATOM 482 CG LYS A 33 2.079 13.075 1.508 1.00 0.00 C ATOM 483 CD LYS A 33 1.180 14.297 1.422 1.00 0.00 C ATOM 484 CE LYS A 33 1.909 15.484 0.811 1.00 0.00 C ATOM 485 NZ LYS A 33 0.969 16.437 0.160 1.00 0.00 N ATOM 0 H LYS A 33 4.221 11.863 3.395 1.00 0.00 H new ATOM 0 HA LYS A 33 2.500 14.040 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.237 11.299 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.793 12.242 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.122 13.383 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.881 12.416 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.300 14.061 0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.826 14.560 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.472 16.003 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.631 15.128 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.505 17.232 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.449 15.949 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.295 16.797 0.866 1.00 0.00 H new ATOM 499 N GLY A 34 2.317 11.482 5.903 1.00 0.00 N ATOM 500 CA GLY A 34 1.746 10.993 7.134 1.00 0.00 C ATOM 501 C GLY A 34 0.991 9.697 6.946 1.00 0.00 C ATOM 502 O GLY A 34 0.004 9.435 7.634 1.00 0.00 O ATOM 0 H GLY A 34 3.113 10.943 5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.540 10.844 7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.073 11.746 7.543 1.00 0.00 H new ATOM 506 N PHE A 35 1.464 8.876 6.016 1.00 0.00 N ATOM 507 CA PHE A 35 0.837 7.597 5.743 1.00 0.00 C ATOM 508 C PHE A 35 1.624 6.464 6.387 1.00 0.00 C ATOM 509 O PHE A 35 2.809 6.606 6.686 1.00 0.00 O ATOM 510 CB PHE A 35 0.740 7.376 4.238 1.00 0.00 C ATOM 511 CG PHE A 35 0.172 8.554 3.500 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.776 9.373 4.094 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.595 8.841 2.219 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.291 10.459 3.416 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.084 9.930 1.534 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.861 10.738 2.134 1.00 0.00 C ATOM 0 H PHE A 35 2.281 9.077 5.440 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.166 7.605 6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.732 7.154 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.119 6.501 4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.115 9.159 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.332 8.210 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.030 11.090 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.424 10.147 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.263 11.587 1.601 1.00 0.00 H new ATOM 526 N ASP A 36 0.958 5.335 6.584 1.00 0.00 N ATOM 527 CA ASP A 36 1.599 4.174 7.179 1.00 0.00 C ATOM 528 C ASP A 36 2.275 3.345 6.097 1.00 0.00 C ATOM 529 O ASP A 36 1.635 2.517 5.450 1.00 0.00 O ATOM 530 CB ASP A 36 0.572 3.322 7.928 1.00 0.00 C ATOM 531 CG ASP A 36 1.142 2.710 9.194 1.00 0.00 C ATOM 532 OD1 ASP A 36 2.305 2.257 9.161 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.423 2.684 10.215 1.00 0.00 O ATOM 0 H ASP A 36 -0.023 5.200 6.341 1.00 0.00 H new ATOM 0 HA ASP A 36 2.351 4.515 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.291 3.938 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.215 2.528 7.272 1.00 0.00 H new ATOM 538 N SER A 37 3.566 3.582 5.886 1.00 0.00 N ATOM 539 CA SER A 37 4.305 2.864 4.859 1.00 0.00 C ATOM 540 C SER A 37 4.717 1.487 5.353 1.00 0.00 C ATOM 541 O SER A 37 4.787 1.238 6.557 1.00 0.00 O ATOM 542 CB SER A 37 5.542 3.656 4.436 1.00 0.00 C ATOM 543 OG SER A 37 6.490 3.723 5.487 1.00 0.00 O ATOM 0 H SER A 37 4.117 4.262 6.410 1.00 0.00 H new ATOM 0 HA SER A 37 3.650 2.743 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.996 3.188 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.249 4.664 4.142 1.00 0.00 H new ATOM 0 HG SER A 37 7.104 4.469 5.326 1.00 0.00 H new ATOM 549 N ILE A 38 4.958 0.588 4.411 1.00 0.00 N ATOM 550 CA ILE A 38 5.329 -0.779 4.733 1.00 0.00 C ATOM 551 C ILE A 38 6.059 -1.432 3.562 1.00 0.00 C ATOM 552 O ILE A 38 5.712 -1.209 2.402 1.00 0.00 O ATOM 553 CB ILE A 38 4.070 -1.601 5.090 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.341 -3.106 4.997 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.917 -1.201 4.178 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.586 -3.920 6.023 1.00 0.00 C ATOM 0 H ILE A 38 4.902 0.784 3.411 1.00 0.00 H new ATOM 0 HA ILE A 38 6.000 -0.758 5.592 1.00 0.00 H new ATOM 0 HB ILE A 38 3.798 -1.383 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.073 -3.454 4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.410 -3.283 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.032 -1.783 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.703 -0.140 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.190 -1.393 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.826 -4.976 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.872 -3.599 7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.515 -3.773 5.887 1.00 0.00 H new ATOM 568 N VAL A 39 7.072 -2.235 3.872 1.00 0.00 N ATOM 569 CA VAL A 39 7.844 -2.913 2.840 1.00 0.00 C ATOM 570 C VAL A 39 7.766 -4.429 2.989 1.00 0.00 C ATOM 571 O VAL A 39 8.198 -4.982 4.000 1.00 0.00 O ATOM 572 CB VAL A 39 9.323 -2.481 2.869 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.062 -3.031 1.661 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.435 -0.966 2.929 1.00 0.00 C ATOM 0 H VAL A 39 7.376 -2.431 4.826 1.00 0.00 H new ATOM 0 HA VAL A 39 7.406 -2.626 1.884 1.00 0.00 H new ATOM 0 HB VAL A 39 9.786 -2.891 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.105 -2.716 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.011 -4.120 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.601 -2.652 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.486 -0.679 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.957 -0.531 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.942 -0.600 3.830 1.00 0.00 H new ATOM 584 N LEU A 40 7.216 -5.101 1.977 1.00 0.00 N ATOM 585 CA LEU A 40 7.092 -6.554 2.007 1.00 0.00 C ATOM 586 C LEU A 40 8.049 -7.198 1.014 1.00 0.00 C ATOM 587 O LEU A 40 8.002 -6.915 -0.183 1.00 0.00 O ATOM 588 CB LEU A 40 5.651 -6.983 1.697 1.00 0.00 C ATOM 589 CG LEU A 40 5.507 -8.210 0.785 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.223 -9.416 1.381 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.039 -8.525 0.541 1.00 0.00 C ATOM 0 H LEU A 40 6.852 -4.663 1.131 1.00 0.00 H new ATOM 0 HA LEU A 40 7.350 -6.891 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.142 -7.190 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.133 -6.144 1.232 1.00 0.00 H new ATOM 0 HG LEU A 40 5.973 -7.978 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.107 -10.273 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.283 -9.189 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.792 -9.650 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.957 -9.397 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.548 -8.732 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.558 -7.671 0.063 1.00 0.00 H new ATOM 682 N TYR A 46 10.623 -6.135 -3.604 1.00 0.00 N ATOM 683 CA TYR A 46 10.167 -5.474 -2.384 1.00 0.00 C ATOM 684 C TYR A 46 9.035 -4.508 -2.719 1.00 0.00 C ATOM 685 O TYR A 46 9.142 -3.719 -3.655 1.00 0.00 O ATOM 686 CB TYR A 46 11.315 -4.711 -1.716 1.00 0.00 C ATOM 687 CG TYR A 46 12.248 -5.594 -0.921 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.095 -6.487 -1.559 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.276 -5.536 0.466 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.946 -7.300 -0.835 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.126 -6.344 1.196 1.00 0.00 C ATOM 692 CZ TYR A 46 13.958 -7.225 0.540 1.00 0.00 C ATOM 693 OH TYR A 46 14.807 -8.032 1.263 1.00 0.00 O ATOM 0 HA TYR A 46 9.809 -6.235 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.888 -4.189 -2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.899 -3.950 -1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.090 -6.548 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.623 -4.848 0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.599 -7.992 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.138 -6.286 2.274 1.00 0.00 H new ATOM 0 HH TYR A 46 14.692 -7.854 2.220 1.00 0.00 H new ATOM 703 N LYS A 47 7.947 -4.575 -1.961 1.00 0.00 N ATOM 704 CA LYS A 47 6.803 -3.702 -2.206 1.00 0.00 C ATOM 705 C LYS A 47 6.708 -2.589 -1.182 1.00 0.00 C ATOM 706 O LYS A 47 7.072 -2.760 -0.022 1.00 0.00 O ATOM 707 CB LYS A 47 5.504 -4.505 -2.201 1.00 0.00 C ATOM 708 CG LYS A 47 5.163 -5.085 -3.556 1.00 0.00 C ATOM 709 CD LYS A 47 6.057 -6.262 -3.881 1.00 0.00 C ATOM 710 CE LYS A 47 5.601 -7.517 -3.163 1.00 0.00 C ATOM 711 NZ LYS A 47 4.128 -7.719 -3.271 1.00 0.00 N ATOM 0 H LYS A 47 7.832 -5.218 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 47 6.953 -3.251 -3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.586 -5.314 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.687 -3.863 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.120 -5.401 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.273 -4.318 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.056 -6.436 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.084 -6.031 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.117 -8.381 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.882 -7.456 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.906 -8.727 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.647 -7.165 -2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.802 -7.406 -4.208 1.00 0.00 H new ATOM 725 N VAL A 48 6.205 -1.449 -1.630 1.00 0.00 N ATOM 726 CA VAL A 48 6.036 -0.289 -0.774 1.00 0.00 C ATOM 727 C VAL A 48 4.571 0.127 -0.728 1.00 0.00 C ATOM 728 O VAL A 48 4.059 0.746 -1.661 1.00 0.00 O ATOM 729 CB VAL A 48 6.901 0.881 -1.271 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.694 2.115 -0.406 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.369 0.476 -1.300 1.00 0.00 C ATOM 0 H VAL A 48 5.904 -1.304 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 48 6.358 -0.557 0.232 1.00 0.00 H new ATOM 0 HB VAL A 48 6.593 1.132 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.317 2.929 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.646 2.414 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.970 1.888 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.971 1.313 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.689 0.197 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.499 -0.373 -1.971 1.00 0.00 H new ATOM 741 N GLN A 49 3.897 -0.237 0.359 1.00 0.00 N ATOM 742 CA GLN A 49 2.483 0.077 0.524 1.00 0.00 C ATOM 743 C GLN A 49 2.266 1.147 1.590 1.00 0.00 C ATOM 744 O GLN A 49 2.943 1.164 2.619 1.00 0.00 O ATOM 745 CB GLN A 49 1.712 -1.192 0.894 1.00 0.00 C ATOM 746 CG GLN A 49 0.215 -1.097 0.653 1.00 0.00 C ATOM 747 CD GLN A 49 -0.502 -2.398 0.955 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.205 -2.944 0.105 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.327 -2.901 2.170 1.00 0.00 N ATOM 0 H GLN A 49 4.308 -0.750 1.139 1.00 0.00 H new ATOM 0 HA GLN A 49 2.112 0.470 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.110 -2.028 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.887 -1.417 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.201 -0.303 1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.034 -0.818 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.265 -2.414 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.784 -3.775 2.431 1.00 0.00 H new ATOM 758 N ILE A 50 1.306 2.033 1.339 1.00 0.00 N ATOM 759 CA ILE A 50 0.981 3.100 2.272 1.00 0.00 C ATOM 760 C ILE A 50 -0.529 3.244 2.454 1.00 0.00 C ATOM 761 O ILE A 50 -1.275 3.449 1.499 1.00 0.00 O ATOM 762 CB ILE A 50 1.597 4.437 1.835 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.241 4.768 0.380 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.105 4.369 2.019 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.170 5.823 0.249 1.00 0.00 C ATOM 0 H ILE A 50 0.739 2.030 0.491 1.00 0.00 H new ATOM 0 HA ILE A 50 1.414 2.825 3.233 1.00 0.00 H new ATOM 0 HB ILE A 50 1.188 5.235 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.139 5.106 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.908 3.859 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.552 5.314 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.336 4.183 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.510 3.561 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.032 6.008 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.741 5.479 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.509 6.746 0.720 1.00 0.00 H new ATOM 777 N GLY A 51 -0.951 3.138 3.705 1.00 0.00 N ATOM 778 CA GLY A 51 -2.356 3.259 4.051 1.00 0.00 C ATOM 779 C GLY A 51 -3.137 1.980 3.819 1.00 0.00 C ATOM 780 O GLY A 51 -3.438 1.626 2.679 1.00 0.00 O ATOM 0 H GLY A 51 -0.335 2.967 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.443 3.546 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.801 4.062 3.463 1.00 0.00 H new ATOM 784 N ALA A 52 -3.473 1.290 4.905 1.00 0.00 N ATOM 785 CA ALA A 52 -4.234 0.048 4.824 1.00 0.00 C ATOM 786 C ALA A 52 -5.438 0.106 5.756 1.00 0.00 C ATOM 787 O ALA A 52 -5.288 0.213 6.972 1.00 0.00 O ATOM 788 CB ALA A 52 -3.349 -1.139 5.172 1.00 0.00 C ATOM 0 H ALA A 52 -3.229 1.572 5.855 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.591 -0.076 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.931 -2.058 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.514 -1.188 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.966 -1.023 6.186 1.00 0.00 H new ATOM 794 N PHE A 53 -6.636 0.054 5.180 1.00 0.00 N ATOM 795 CA PHE A 53 -7.860 0.120 5.972 1.00 0.00 C ATOM 796 C PHE A 53 -8.890 -0.901 5.500 1.00 0.00 C ATOM 797 O PHE A 53 -8.700 -1.572 4.483 1.00 0.00 O ATOM 798 CB PHE A 53 -8.461 1.528 5.903 1.00 0.00 C ATOM 799 CG PHE A 53 -7.435 2.627 5.866 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.645 2.817 4.743 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.259 3.466 6.954 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.702 3.827 4.704 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.319 4.477 6.922 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.538 4.658 5.795 1.00 0.00 C ATOM 0 H PHE A 53 -6.785 -0.033 4.175 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.597 -0.115 7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.090 1.601 5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.109 1.678 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.768 2.168 3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.864 3.328 7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.095 3.966 3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.194 5.126 7.776 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.801 5.447 5.768 1.00 0.00 H new ATOM 814 N SER A 54 -9.983 -1.004 6.248 1.00 0.00 N ATOM 815 CA SER A 54 -11.057 -1.934 5.918 1.00 0.00 C ATOM 816 C SER A 54 -12.005 -1.331 4.883 1.00 0.00 C ATOM 817 O SER A 54 -12.768 -2.049 4.237 1.00 0.00 O ATOM 818 CB SER A 54 -11.833 -2.318 7.178 1.00 0.00 C ATOM 819 OG SER A 54 -12.066 -3.713 7.229 1.00 0.00 O ATOM 0 H SER A 54 -10.149 -0.453 7.090 1.00 0.00 H new ATOM 0 HA SER A 54 -10.608 -2.830 5.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.275 -2.007 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.784 -1.786 7.199 1.00 0.00 H new ATOM 0 HG SER A 54 -12.562 -3.932 8.045 1.00 0.00 H new ATOM 825 N SER A 55 -11.954 -0.008 4.728 1.00 0.00 N ATOM 826 CA SER A 55 -12.812 0.682 3.769 1.00 0.00 C ATOM 827 C SER A 55 -11.987 1.308 2.644 1.00 0.00 C ATOM 828 O SER A 55 -10.987 1.981 2.893 1.00 0.00 O ATOM 829 CB SER A 55 -13.632 1.762 4.475 1.00 0.00 C ATOM 830 OG SER A 55 -14.965 1.785 3.996 1.00 0.00 O ATOM 0 H SER A 55 -11.329 0.604 5.253 1.00 0.00 H new ATOM 0 HA SER A 55 -13.487 -0.053 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.632 1.579 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.169 2.736 4.317 1.00 0.00 H new ATOM 0 HG SER A 55 -15.292 2.709 3.983 1.00 0.00 H new ATOM 836 N LYS A 56 -12.417 1.075 1.407 1.00 0.00 N ATOM 837 CA LYS A 56 -11.722 1.610 0.243 1.00 0.00 C ATOM 838 C LYS A 56 -11.645 3.131 0.292 1.00 0.00 C ATOM 839 O LYS A 56 -10.632 3.720 -0.083 1.00 0.00 O ATOM 840 CB LYS A 56 -12.419 1.177 -1.043 1.00 0.00 C ATOM 841 CG LYS A 56 -11.670 1.608 -2.291 1.00 0.00 C ATOM 842 CD LYS A 56 -11.733 0.543 -3.370 1.00 0.00 C ATOM 843 CE LYS A 56 -13.143 0.377 -3.916 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.169 0.398 -5.404 1.00 0.00 N ATOM 0 H LYS A 56 -13.243 0.519 1.186 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.708 1.211 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.526 0.092 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.425 1.597 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.095 2.537 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.629 1.813 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.057 0.808 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.386 -0.407 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.562 -0.564 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.778 1.175 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.148 0.282 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.793 1.306 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.584 -0.379 -5.772 1.00 0.00 H new ATOM 858 N ASP A 57 -12.724 3.765 0.750 1.00 0.00 N ATOM 859 CA ASP A 57 -12.778 5.223 0.843 1.00 0.00 C ATOM 860 C ASP A 57 -11.490 5.775 1.446 1.00 0.00 C ATOM 861 O ASP A 57 -11.034 6.859 1.082 1.00 0.00 O ATOM 862 CB ASP A 57 -13.979 5.660 1.683 1.00 0.00 C ATOM 863 CG ASP A 57 -14.090 4.885 2.980 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.159 4.976 3.809 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.107 4.185 3.170 1.00 0.00 O ATOM 0 H ASP A 57 -13.572 3.292 1.062 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.888 5.623 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.896 6.724 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.892 5.526 1.103 1.00 0.00 H new ATOM 870 N ASN A 58 -10.911 5.014 2.364 1.00 0.00 N ATOM 871 CA ASN A 58 -9.672 5.415 3.016 1.00 0.00 C ATOM 872 C ASN A 58 -8.501 5.294 2.048 1.00 0.00 C ATOM 873 O ASN A 58 -7.706 6.221 1.898 1.00 0.00 O ATOM 874 CB ASN A 58 -9.418 4.555 4.256 1.00 0.00 C ATOM 875 CG ASN A 58 -10.184 5.050 5.468 1.00 0.00 C ATOM 876 OD1 ASN A 58 -9.694 5.887 6.227 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.391 4.532 5.656 1.00 0.00 N ATOM 0 H ASN A 58 -11.279 4.115 2.674 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.767 6.456 3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.703 3.524 4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.351 4.551 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.953 4.825 6.455 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.757 3.841 5.001 1.00 0.00 H new ATOM 884 N ALA A 59 -8.410 4.147 1.385 1.00 0.00 N ATOM 885 CA ALA A 59 -7.346 3.894 0.421 1.00 0.00 C ATOM 886 C ALA A 59 -7.349 4.943 -0.683 1.00 0.00 C ATOM 887 O ALA A 59 -6.299 5.459 -1.058 1.00 0.00 O ATOM 888 CB ALA A 59 -7.498 2.503 -0.169 1.00 0.00 C ATOM 0 H ALA A 59 -9.065 3.373 1.499 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.390 3.956 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.699 2.323 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.443 1.762 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.462 2.424 -0.671 1.00 0.00 H new ATOM 894 N ASP A 60 -8.531 5.250 -1.208 1.00 0.00 N ATOM 895 CA ASP A 60 -8.657 6.238 -2.276 1.00 0.00 C ATOM 896 C ASP A 60 -8.126 7.594 -1.826 1.00 0.00 C ATOM 897 O ASP A 60 -7.314 8.213 -2.512 1.00 0.00 O ATOM 898 CB ASP A 60 -10.118 6.366 -2.709 1.00 0.00 C ATOM 899 CG ASP A 60 -10.508 5.331 -3.744 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.122 4.154 -3.581 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.201 5.694 -4.718 1.00 0.00 O ATOM 0 H ASP A 60 -9.413 4.831 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.063 5.899 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.763 6.263 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.287 7.363 -3.115 1.00 0.00 H new ATOM 906 N THR A 61 -8.591 8.052 -0.666 1.00 0.00 N ATOM 907 CA THR A 61 -8.160 9.337 -0.125 1.00 0.00 C ATOM 908 C THR A 61 -6.648 9.363 0.069 1.00 0.00 C ATOM 909 O THR A 61 -6.001 10.388 -0.148 1.00 0.00 O ATOM 910 CB THR A 61 -8.862 9.613 1.206 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.235 9.278 1.127 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.767 11.059 1.644 1.00 0.00 C ATOM 0 H THR A 61 -9.264 7.553 -0.084 1.00 0.00 H new ATOM 0 HA THR A 61 -8.431 10.115 -0.839 1.00 0.00 H new ATOM 0 HB THR A 61 -8.346 8.993 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.372 8.374 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.285 11.186 2.594 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.719 11.335 1.762 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.228 11.698 0.891 1.00 0.00 H new ATOM 920 N LEU A 62 -6.088 8.225 0.462 1.00 0.00 N ATOM 921 CA LEU A 62 -4.651 8.100 0.676 1.00 0.00 C ATOM 922 C LEU A 62 -3.925 8.171 -0.640 1.00 0.00 C ATOM 923 O LEU A 62 -2.961 8.919 -0.808 1.00 0.00 O ATOM 924 CB LEU A 62 -4.329 6.740 1.281 1.00 0.00 C ATOM 925 CG LEU A 62 -3.112 6.711 2.201 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.941 7.417 1.542 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.441 7.349 3.541 1.00 0.00 C ATOM 0 H LEU A 62 -6.613 7.369 0.640 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.341 8.908 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.197 6.395 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.169 6.028 0.471 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.833 5.672 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.078 7.390 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.693 6.915 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.209 8.454 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.561 7.319 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.743 8.385 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.255 6.801 4.015 1.00 0.00 H new ATOM 939 N ALA A 63 -4.383 7.341 -1.560 1.00 0.00 N ATOM 940 CA ALA A 63 -3.775 7.249 -2.857 1.00 0.00 C ATOM 941 C ALA A 63 -3.713 8.615 -3.530 1.00 0.00 C ATOM 942 O ALA A 63 -2.633 9.113 -3.852 1.00 0.00 O ATOM 943 CB ALA A 63 -4.524 6.252 -3.731 1.00 0.00 C ATOM 0 H ALA A 63 -5.181 6.720 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.753 6.892 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.048 6.197 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.503 5.269 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.558 6.576 -3.848 1.00 0.00 H new ATOM 949 N ALA A 64 -4.883 9.223 -3.726 1.00 0.00 N ATOM 950 CA ALA A 64 -4.966 10.541 -4.346 1.00 0.00 C ATOM 951 C ALA A 64 -4.023 11.517 -3.656 1.00 0.00 C ATOM 952 O ALA A 64 -3.387 12.349 -4.301 1.00 0.00 O ATOM 953 CB ALA A 64 -6.396 11.058 -4.301 1.00 0.00 C ATOM 0 H ALA A 64 -5.784 8.823 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.663 10.452 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.442 12.042 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.049 10.371 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.724 11.132 -3.264 1.00 0.00 H new ATOM 959 N ARG A 65 -3.924 11.389 -2.337 1.00 0.00 N ATOM 960 CA ARG A 65 -3.044 12.238 -1.552 1.00 0.00 C ATOM 961 C ARG A 65 -1.593 11.975 -1.931 1.00 0.00 C ATOM 962 O ARG A 65 -0.781 12.896 -2.004 1.00 0.00 O ATOM 963 CB ARG A 65 -3.251 11.974 -0.062 1.00 0.00 C ATOM 964 CG ARG A 65 -2.949 13.168 0.822 1.00 0.00 C ATOM 965 CD ARG A 65 -3.328 12.893 2.269 1.00 0.00 C ATOM 966 NE ARG A 65 -4.038 14.022 2.870 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.092 14.254 4.181 1.00 0.00 C ATOM 968 NH1 ARG A 65 -3.490 13.434 5.033 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.755 15.307 4.637 1.00 0.00 N ATOM 0 H ARG A 65 -4.445 10.703 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.282 13.281 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.283 11.665 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.617 11.141 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.888 13.409 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.495 14.039 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.955 12.003 2.317 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.428 12.681 2.846 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.521 14.671 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.982 12.621 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.535 13.617 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.222 15.937 3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.798 15.487 5.640 1.00 0.00 H new ATOM 983 N ALA A 66 -1.284 10.708 -2.189 1.00 0.00 N ATOM 984 CA ALA A 66 0.061 10.318 -2.581 1.00 0.00 C ATOM 985 C ALA A 66 0.394 10.914 -3.937 1.00 0.00 C ATOM 986 O ALA A 66 1.487 11.437 -4.144 1.00 0.00 O ATOM 987 CB ALA A 66 0.198 8.804 -2.598 1.00 0.00 C ATOM 0 H ALA A 66 -1.948 9.936 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 66 0.770 10.704 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.212 8.534 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.007 8.409 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.512 8.382 -3.309 1.00 0.00 H new ATOM 993 N LYS A 67 -0.566 10.853 -4.853 1.00 0.00 N ATOM 994 CA LYS A 67 -0.377 11.412 -6.182 1.00 0.00 C ATOM 995 C LYS A 67 -0.130 12.909 -6.077 1.00 0.00 C ATOM 996 O LYS A 67 0.804 13.443 -6.672 1.00 0.00 O ATOM 997 CB LYS A 67 -1.594 11.135 -7.064 1.00 0.00 C ATOM 998 CG LYS A 67 -1.613 9.732 -7.652 1.00 0.00 C ATOM 999 CD LYS A 67 -2.682 8.868 -7.001 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.275 7.877 -7.990 1.00 0.00 C ATOM 1001 NZ LYS A 67 -4.452 8.441 -8.708 1.00 0.00 N ATOM 0 H LYS A 67 -1.478 10.424 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 67 0.489 10.937 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.500 11.286 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.616 11.861 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.794 9.789 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.636 9.267 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.252 8.329 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.473 9.504 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.513 7.588 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.573 6.971 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.825 7.733 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.190 8.694 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.163 9.291 -9.234 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.966 13.574 -5.287 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.832 15.005 -5.065 1.00 0.00 C ATOM 1017 C ASN A 68 0.425 15.284 -4.247 1.00 0.00 C ATOM 1018 O ASN A 68 1.008 16.365 -4.322 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.062 15.546 -4.336 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.307 17.014 -4.623 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.317 17.383 -5.223 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.380 17.864 -4.195 1.00 0.00 N ATOM 0 H ASN A 68 -1.745 13.142 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.750 15.506 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.939 14.970 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.936 15.405 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.490 18.865 -4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.558 17.516 -3.702 1.00 0.00 H new ATOM 1029 N ALA A 69 0.832 14.286 -3.465 1.00 0.00 N ATOM 1030 CA ALA A 69 2.014 14.389 -2.622 1.00 0.00 C ATOM 1031 C ALA A 69 3.294 14.244 -3.441 1.00 0.00 C ATOM 1032 O ALA A 69 4.361 14.694 -3.026 1.00 0.00 O ATOM 1033 CB ALA A 69 1.966 13.324 -1.538 1.00 0.00 C ATOM 0 H ALA A 69 0.352 13.388 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 69 2.020 15.377 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.853 13.405 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.074 13.466 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.937 12.337 -1.999 1.00 0.00 H new ATOM 1039 N GLY A 70 3.183 13.605 -4.601 1.00 0.00 N ATOM 1040 CA GLY A 70 4.338 13.399 -5.452 1.00 0.00 C ATOM 1041 C GLY A 70 4.713 11.935 -5.534 1.00 0.00 C ATOM 1042 O GLY A 70 5.860 11.592 -5.822 1.00 0.00 O ATOM 0 H GLY A 70 2.310 13.225 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.127 13.778 -6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.182 13.971 -5.066 1.00 0.00 H new ATOM 1046 N PHE A 71 3.738 11.072 -5.267 1.00 0.00 N ATOM 1047 CA PHE A 71 3.951 9.635 -5.290 1.00 0.00 C ATOM 1048 C PHE A 71 2.855 8.967 -6.110 1.00 0.00 C ATOM 1049 O PHE A 71 1.727 9.448 -6.152 1.00 0.00 O ATOM 1050 CB PHE A 71 3.935 9.088 -3.863 1.00 0.00 C ATOM 1051 CG PHE A 71 4.436 10.068 -2.835 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.663 10.692 -2.993 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.670 10.375 -1.718 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.119 11.600 -2.057 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.122 11.286 -0.781 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.349 11.900 -0.952 1.00 0.00 C ATOM 0 H PHE A 71 2.785 11.350 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 71 4.919 9.422 -5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.917 8.795 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.547 8.187 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.270 10.466 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.711 9.897 -1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.079 12.076 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.517 11.518 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.704 12.613 -0.222 1.00 0.00 H new ATOM 1066 N ASP A 72 3.180 7.858 -6.758 1.00 0.00 N ATOM 1067 CA ASP A 72 2.197 7.148 -7.567 1.00 0.00 C ATOM 1068 C ASP A 72 1.506 6.062 -6.753 1.00 0.00 C ATOM 1069 O ASP A 72 1.777 4.876 -6.934 1.00 0.00 O ATOM 1070 CB ASP A 72 2.868 6.534 -8.799 1.00 0.00 C ATOM 1071 CG ASP A 72 1.870 5.860 -9.721 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.164 6.579 -10.459 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.798 4.614 -9.707 1.00 0.00 O ATOM 0 H ASP A 72 4.107 7.433 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 72 1.444 7.865 -7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.398 7.313 -9.348 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.613 5.806 -8.479 1.00 0.00 H new ATOM 1078 N ALA A 73 0.602 6.467 -5.857 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.120 5.510 -5.026 1.00 0.00 C ATOM 1080 C ALA A 73 -1.364 4.978 -5.728 1.00 0.00 C ATOM 1081 O ALA A 73 -2.067 5.713 -6.418 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.512 6.150 -3.702 1.00 0.00 C ATOM 0 H ALA A 73 0.357 7.443 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 73 0.549 4.669 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.050 5.424 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.385 6.473 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.152 7.012 -3.890 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.631 3.693 -5.527 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.794 3.040 -6.114 1.00 0.00 C ATOM 1090 C ILE A 74 -3.512 2.207 -5.060 1.00 0.00 C ATOM 1091 O ILE A 74 -2.885 1.695 -4.138 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.402 2.135 -7.297 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.389 1.081 -6.850 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.836 2.969 -8.437 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.632 -0.285 -7.455 1.00 0.00 C ATOM 0 H ILE A 74 -1.051 3.078 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.456 3.822 -6.486 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.296 1.624 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.387 1.415 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.418 0.999 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.564 2.315 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.587 3.685 -8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.952 3.505 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.876 -0.982 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.621 -0.640 -7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.574 -0.217 -8.541 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.824 2.064 -5.201 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.600 1.282 -4.246 1.00 0.00 C ATOM 1109 C VAL A 75 -5.946 -0.088 -4.813 1.00 0.00 C ATOM 1110 O VAL A 75 -6.340 -0.211 -5.973 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.894 2.013 -3.828 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.743 1.134 -2.916 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.559 3.330 -3.147 1.00 0.00 C ATOM 0 H VAL A 75 -5.369 2.475 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.977 1.153 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.475 2.225 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.649 1.670 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.012 0.218 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.176 0.885 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.481 3.835 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.957 3.138 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.999 3.963 -3.835 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.797 -1.115 -3.985 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.093 -2.478 -4.403 1.00 0.00 C ATOM 1125 C ILE A 76 -6.779 -3.261 -3.289 1.00 0.00 C ATOM 1126 O ILE A 76 -6.458 -3.098 -2.107 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.814 -3.226 -4.825 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.736 -3.088 -3.750 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.310 -2.699 -6.160 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.894 -4.334 -3.575 1.00 0.00 C ATOM 0 H ILE A 76 -5.473 -1.029 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.764 -2.406 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.051 -4.284 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.085 -2.252 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.211 -2.844 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.406 -3.237 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.076 -2.846 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.087 -1.636 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.150 -4.164 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.534 -5.169 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.391 -4.568 -4.513 1.00 0.00 H new