USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 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+ -169:sc= -0.649 (180deg=-0.662) USER MOD Single : A 13 GLN : amide:sc= -0.586 K(o=-0.59,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.147) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.753 K(o=-0.75,f=-1.5) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -21! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.192) USER MOD Single : A 37 SER OG : rot -157:sc= -2.52! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= -4.18 (180deg=-4.39) USER MOD Single : A 49 GLN : amide:sc= -4.49! C(o=-4.5!,f=-7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0134 (180deg=-0.208) USER MOD Single : A 58 ASN : amide:sc= -1.05 K(o=-1,f=-2.1!) USER MOD Single : A 61 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 67 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.457) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.154 -6.423 1.880 1.00 0.00 N ATOM 121 CA LEU A 9 -8.587 -5.263 2.546 1.00 0.00 C ATOM 122 C LEU A 9 -8.224 -4.202 1.527 1.00 0.00 C ATOM 123 O LEU A 9 -7.711 -4.512 0.452 1.00 0.00 O ATOM 124 CB LEU A 9 -7.352 -5.661 3.359 1.00 0.00 C ATOM 125 CG LEU A 9 -7.647 -6.396 4.667 1.00 0.00 C ATOM 126 CD1 LEU A 9 -7.596 -7.902 4.456 1.00 0.00 C ATOM 127 CD2 LEU A 9 -6.667 -5.974 5.750 1.00 0.00 C ATOM 0 HA LEU A 9 -9.333 -4.856 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.717 -6.294 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.780 -4.761 3.587 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.652 -6.129 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.808 -8.409 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.339 -8.191 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.604 -8.187 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.893 -6.508 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.651 -6.210 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.753 -4.901 5.921 1.00 0.00 H new ATOM 139 N TYR A 10 -8.480 -2.950 1.869 1.00 0.00 N ATOM 140 CA TYR A 10 -8.168 -1.853 0.979 1.00 0.00 C ATOM 141 C TYR A 10 -6.886 -1.173 1.423 1.00 0.00 C ATOM 142 O TYR A 10 -6.862 -0.454 2.422 1.00 0.00 O ATOM 143 CB TYR A 10 -9.326 -0.858 0.936 1.00 0.00 C ATOM 144 CG TYR A 10 -10.660 -1.514 0.660 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.965 -1.998 -0.603 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.611 -1.655 1.660 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.178 -2.604 -0.865 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.829 -2.258 1.409 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.108 -2.731 0.145 1.00 0.00 C ATOM 150 OH TYR A 10 -14.320 -3.332 -0.111 1.00 0.00 O ATOM 0 H TYR A 10 -8.902 -2.672 2.755 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.020 -2.244 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.378 -0.328 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.128 -0.112 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.240 -1.899 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.396 -1.287 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.397 -2.976 -1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.558 -2.358 2.199 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.859 -3.342 0.707 1.00 0.00 H new ATOM 160 N LYS A 11 -5.823 -1.405 0.670 1.00 0.00 N ATOM 161 CA LYS A 11 -4.525 -0.811 0.976 1.00 0.00 C ATOM 162 C LYS A 11 -4.001 -0.032 -0.223 1.00 0.00 C ATOM 163 O LYS A 11 -4.373 -0.314 -1.361 1.00 0.00 O ATOM 164 CB LYS A 11 -3.525 -1.897 1.373 1.00 0.00 C ATOM 165 CG LYS A 11 -4.087 -2.916 2.352 1.00 0.00 C ATOM 166 CD LYS A 11 -3.213 -4.158 2.430 1.00 0.00 C ATOM 167 CE LYS A 11 -2.645 -4.356 3.827 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.583 -5.104 4.708 1.00 0.00 N ATOM 0 H LYS A 11 -5.830 -2.000 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.649 -0.124 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.189 -2.416 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.647 -1.426 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.168 -2.465 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.095 -3.198 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.798 -5.033 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.396 -4.075 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.700 -4.896 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.427 -3.385 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.248 -5.057 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.531 -4.681 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.627 -6.098 4.404 1.00 0.00 H new ATOM 182 N VAL A 12 -3.134 0.944 0.027 1.00 0.00 N ATOM 183 CA VAL A 12 -2.577 1.742 -1.063 1.00 0.00 C ATOM 184 C VAL A 12 -1.116 1.360 -1.307 1.00 0.00 C ATOM 185 O VAL A 12 -0.385 1.059 -0.373 1.00 0.00 O ATOM 186 CB VAL A 12 -2.685 3.268 -0.800 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.046 4.004 -2.074 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.716 3.599 0.271 1.00 0.00 C ATOM 0 H VAL A 12 -2.805 1.200 0.958 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.170 1.522 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.707 3.592 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.117 5.072 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.276 3.829 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.005 3.641 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.754 4.678 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.696 3.241 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.437 3.115 1.207 1.00 0.00 H new ATOM 198 N GLN A 13 -0.705 1.353 -2.572 1.00 0.00 N ATOM 199 CA GLN A 13 0.666 0.986 -2.932 1.00 0.00 C ATOM 200 C GLN A 13 1.257 1.973 -3.932 1.00 0.00 C ATOM 201 O GLN A 13 0.610 2.337 -4.915 1.00 0.00 O ATOM 202 CB GLN A 13 0.700 -0.429 -3.514 1.00 0.00 C ATOM 203 CG GLN A 13 2.105 -0.984 -3.683 1.00 0.00 C ATOM 204 CD GLN A 13 2.377 -1.463 -5.096 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.698 -1.065 -6.042 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.377 -2.325 -5.245 1.00 0.00 N ATOM 0 H GLN A 13 -1.298 1.596 -3.365 1.00 0.00 H new ATOM 0 HA GLN A 13 1.270 1.016 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.131 -1.094 -2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.200 -0.426 -4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.830 -0.214 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.251 -1.811 -2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.914 -2.628 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.608 -2.683 -6.172 1.00 0.00 H new ATOM 215 N ILE A 14 2.481 2.422 -3.666 1.00 0.00 N ATOM 216 CA ILE A 14 3.137 3.387 -4.541 1.00 0.00 C ATOM 217 C ILE A 14 4.231 2.766 -5.408 1.00 0.00 C ATOM 218 O ILE A 14 4.773 3.441 -6.283 1.00 0.00 O ATOM 219 CB ILE A 14 3.742 4.553 -3.741 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.679 4.018 -2.652 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.638 5.422 -3.157 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.229 4.313 -1.238 1.00 0.00 C ATOM 0 H ILE A 14 3.034 2.135 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 14 2.351 3.756 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 14 4.334 5.178 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.776 2.939 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.671 4.445 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.081 6.243 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.026 5.824 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.015 4.822 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.950 3.899 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.161 5.391 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.252 3.861 -1.065 1.00 0.00 H new ATOM 234 N GLY A 15 4.552 1.487 -5.200 1.00 0.00 N ATOM 235 CA GLY A 15 5.576 0.874 -6.035 1.00 0.00 C ATOM 236 C GLY A 15 6.196 -0.386 -5.463 1.00 0.00 C ATOM 237 O GLY A 15 5.946 -0.758 -4.317 1.00 0.00 O ATOM 0 H GLY A 15 4.137 0.881 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.140 0.638 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.367 1.604 -6.210 1.00 0.00 H new ATOM 241 N ALA A 16 7.037 -1.019 -6.279 1.00 0.00 N ATOM 242 CA ALA A 16 7.756 -2.230 -5.896 1.00 0.00 C ATOM 243 C ALA A 16 9.082 -2.304 -6.654 1.00 0.00 C ATOM 244 O ALA A 16 9.129 -2.038 -7.857 1.00 0.00 O ATOM 245 CB ALA A 16 6.906 -3.473 -6.149 1.00 0.00 C ATOM 0 H ALA A 16 7.239 -0.704 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 16 7.967 -2.192 -4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.465 -4.362 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.988 -3.411 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.657 -3.534 -7.209 1.00 0.00 H new ATOM 251 N PHE A 17 10.156 -2.655 -5.956 1.00 0.00 N ATOM 252 CA PHE A 17 11.473 -2.749 -6.579 1.00 0.00 C ATOM 253 C PHE A 17 12.288 -3.882 -5.969 1.00 0.00 C ATOM 254 O PHE A 17 12.135 -4.205 -4.793 1.00 0.00 O ATOM 255 CB PHE A 17 12.234 -1.429 -6.428 1.00 0.00 C ATOM 256 CG PHE A 17 11.366 -0.211 -6.557 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.717 0.312 -5.450 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.199 0.412 -7.784 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.919 1.432 -5.563 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.401 1.533 -7.904 1.00 0.00 C ATOM 261 CZ PHE A 17 9.759 2.045 -6.792 1.00 0.00 C ATOM 0 H PHE A 17 10.142 -2.879 -4.961 1.00 0.00 H new ATOM 0 HA PHE A 17 11.324 -2.958 -7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.725 -1.413 -5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.020 -1.385 -7.182 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.837 -0.163 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.698 0.016 -8.656 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.420 1.830 -4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.279 2.009 -8.866 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.134 2.921 -6.883 1.00 0.00 H new ATOM 271 N LYS A 18 13.158 -4.478 -6.776 1.00 0.00 N ATOM 272 CA LYS A 18 14.001 -5.577 -6.322 1.00 0.00 C ATOM 273 C LYS A 18 14.917 -5.157 -5.174 1.00 0.00 C ATOM 274 O LYS A 18 15.510 -6.005 -4.506 1.00 0.00 O ATOM 275 CB LYS A 18 14.842 -6.110 -7.485 1.00 0.00 C ATOM 276 CG LYS A 18 15.652 -7.346 -7.133 1.00 0.00 C ATOM 277 CD LYS A 18 16.344 -7.927 -8.355 1.00 0.00 C ATOM 278 CE LYS A 18 17.788 -7.464 -8.450 1.00 0.00 C ATOM 279 NZ LYS A 18 17.910 -6.163 -9.165 1.00 0.00 N ATOM 0 H LYS A 18 13.298 -4.217 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 18 13.342 -6.363 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.183 -6.343 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.520 -5.326 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.397 -7.091 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.997 -8.098 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.312 -9.016 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.806 -7.630 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.205 -7.367 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.378 -8.220 -8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.773 -6.165 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.081 -6.025 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.961 -5.389 -8.472 1.00 0.00 H new ATOM 293 N VAL A 19 15.045 -3.851 -4.947 1.00 0.00 N ATOM 294 CA VAL A 19 15.907 -3.351 -3.883 1.00 0.00 C ATOM 295 C VAL A 19 15.107 -2.820 -2.698 1.00 0.00 C ATOM 296 O VAL A 19 14.216 -1.984 -2.856 1.00 0.00 O ATOM 297 CB VAL A 19 16.838 -2.236 -4.395 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.870 -1.872 -3.339 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.515 -2.658 -5.691 1.00 0.00 C ATOM 0 H VAL A 19 14.566 -3.127 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 19 16.503 -4.201 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 19 16.235 -1.351 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.518 -1.083 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.363 -1.522 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.470 -2.750 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.169 -1.858 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.104 -3.558 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.757 -2.861 -6.448 1.00 0.00 H new ATOM 309 N LYS A 20 15.445 -3.309 -1.509 1.00 0.00 N ATOM 310 CA LYS A 20 14.783 -2.898 -0.281 1.00 0.00 C ATOM 311 C LYS A 20 15.138 -1.460 0.062 1.00 0.00 C ATOM 312 O LYS A 20 14.274 -0.680 0.452 1.00 0.00 O ATOM 313 CB LYS A 20 15.182 -3.821 0.872 1.00 0.00 C ATOM 314 CG LYS A 20 14.439 -3.534 2.168 1.00 0.00 C ATOM 315 CD LYS A 20 15.375 -3.545 3.368 1.00 0.00 C ATOM 316 CE LYS A 20 15.454 -2.178 4.031 1.00 0.00 C ATOM 317 NZ LYS A 20 16.858 -1.789 4.336 1.00 0.00 N ATOM 0 H LYS A 20 16.184 -3.999 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 20 13.706 -2.966 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.998 -4.855 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.253 -3.726 1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.948 -2.563 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.656 -4.278 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.029 -4.282 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.371 -3.854 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.004 -1.431 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.872 -2.187 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.868 -0.852 4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.280 -2.488 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.408 -1.755 3.454 1.00 0.00 H new ATOM 331 N ALA A 21 16.411 -1.103 -0.098 1.00 0.00 N ATOM 332 CA ALA A 21 16.855 0.257 0.183 1.00 0.00 C ATOM 333 C ALA A 21 15.991 1.250 -0.581 1.00 0.00 C ATOM 334 O ALA A 21 15.715 2.353 -0.106 1.00 0.00 O ATOM 335 CB ALA A 21 18.320 0.427 -0.186 1.00 0.00 C ATOM 0 H ALA A 21 17.147 -1.733 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 21 16.751 0.449 1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.634 1.448 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.925 -0.269 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.453 0.224 -1.249 1.00 0.00 H new ATOM 341 N ASN A 22 15.540 0.826 -1.758 1.00 0.00 N ATOM 342 CA ASN A 22 14.677 1.649 -2.584 1.00 0.00 C ATOM 343 C ASN A 22 13.263 1.621 -2.018 1.00 0.00 C ATOM 344 O ASN A 22 12.530 2.606 -2.098 1.00 0.00 O ATOM 345 CB ASN A 22 14.679 1.147 -4.029 1.00 0.00 C ATOM 346 CG ASN A 22 16.014 1.363 -4.714 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.879 2.073 -4.202 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.187 0.748 -5.877 1.00 0.00 N ATOM 0 H ASN A 22 15.761 -0.086 -2.158 1.00 0.00 H new ATOM 0 HA ASN A 22 15.049 2.673 -2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.435 0.085 -4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.898 1.661 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.065 0.854 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.442 0.169 -6.264 1.00 0.00 H new ATOM 355 N ALA A 23 12.895 0.484 -1.429 1.00 0.00 N ATOM 356 CA ALA A 23 11.573 0.330 -0.834 1.00 0.00 C ATOM 357 C ALA A 23 11.474 1.102 0.481 1.00 0.00 C ATOM 358 O ALA A 23 10.377 1.419 0.945 1.00 0.00 O ATOM 359 CB ALA A 23 11.263 -1.142 -0.609 1.00 0.00 C ATOM 0 H ALA A 23 13.492 -0.339 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 23 10.838 0.741 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.273 -1.241 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.287 -1.669 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.007 -1.572 0.062 1.00 0.00 H new ATOM 365 N ASP A 24 12.624 1.403 1.078 1.00 0.00 N ATOM 366 CA ASP A 24 12.671 2.137 2.338 1.00 0.00 C ATOM 367 C ASP A 24 12.580 3.638 2.092 1.00 0.00 C ATOM 368 O ASP A 24 11.912 4.360 2.832 1.00 0.00 O ATOM 369 CB ASP A 24 13.956 1.806 3.101 1.00 0.00 C ATOM 370 CG ASP A 24 13.715 1.611 4.584 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.814 0.823 4.940 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.428 2.246 5.391 1.00 0.00 O ATOM 0 H ASP A 24 13.539 1.148 0.707 1.00 0.00 H new ATOM 0 HA ASP A 24 11.815 1.833 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.399 0.901 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.678 2.609 2.956 1.00 0.00 H new ATOM 377 N SER A 25 13.243 4.099 1.036 1.00 0.00 N ATOM 378 CA SER A 25 13.216 5.512 0.684 1.00 0.00 C ATOM 379 C SER A 25 11.811 5.905 0.251 1.00 0.00 C ATOM 380 O SER A 25 11.331 7.000 0.552 1.00 0.00 O ATOM 381 CB SER A 25 14.215 5.806 -0.437 1.00 0.00 C ATOM 382 OG SER A 25 14.490 7.193 -0.526 1.00 0.00 O ATOM 0 H SER A 25 13.803 3.517 0.413 1.00 0.00 H new ATOM 0 HA SER A 25 13.500 6.098 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.141 5.260 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.816 5.450 -1.387 1.00 0.00 H new ATOM 0 HG SER A 25 15.132 7.353 -1.249 1.00 0.00 H new ATOM 388 N LEU A 26 11.153 4.989 -0.447 1.00 0.00 N ATOM 389 CA LEU A 26 9.797 5.203 -0.924 1.00 0.00 C ATOM 390 C LEU A 26 8.831 5.291 0.256 1.00 0.00 C ATOM 391 O LEU A 26 8.066 6.250 0.384 1.00 0.00 O ATOM 392 CB LEU A 26 9.397 4.063 -1.861 1.00 0.00 C ATOM 393 CG LEU A 26 8.008 4.178 -2.490 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.900 5.439 -3.334 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.707 2.950 -3.336 1.00 0.00 C ATOM 0 H LEU A 26 11.544 4.081 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 26 9.753 6.143 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.134 4.000 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.448 3.126 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 26 7.274 4.239 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.904 5.500 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.075 6.313 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.644 5.409 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.715 3.046 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.450 2.863 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.740 2.059 -2.709 1.00 0.00 H new ATOM 407 N ALA A 27 8.889 4.292 1.131 1.00 0.00 N ATOM 408 CA ALA A 27 8.036 4.264 2.313 1.00 0.00 C ATOM 409 C ALA A 27 8.263 5.511 3.164 1.00 0.00 C ATOM 410 O ALA A 27 7.387 5.931 3.921 1.00 0.00 O ATOM 411 CB ALA A 27 8.301 3.006 3.127 1.00 0.00 C ATOM 0 H ALA A 27 9.517 3.493 1.044 1.00 0.00 H new ATOM 0 HA ALA A 27 6.995 4.253 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.657 2.999 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.092 2.127 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.344 2.989 3.442 1.00 0.00 H new ATOM 417 N SER A 28 9.447 6.102 3.021 1.00 0.00 N ATOM 418 CA SER A 28 9.797 7.306 3.762 1.00 0.00 C ATOM 419 C SER A 28 9.024 8.507 3.228 1.00 0.00 C ATOM 420 O SER A 28 8.529 9.334 3.999 1.00 0.00 O ATOM 421 CB SER A 28 11.304 7.569 3.666 1.00 0.00 C ATOM 422 OG SER A 28 11.707 8.560 4.596 1.00 0.00 O ATOM 0 H SER A 28 10.180 5.764 2.397 1.00 0.00 H new ATOM 0 HA SER A 28 9.529 7.156 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.851 6.645 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.557 7.889 2.655 1.00 0.00 H new ATOM 0 HG SER A 28 12.672 8.709 4.517 1.00 0.00 H new ATOM 428 N ASN A 29 8.914 8.594 1.905 1.00 0.00 N ATOM 429 CA ASN A 29 8.191 9.692 1.274 1.00 0.00 C ATOM 430 C ASN A 29 6.744 9.723 1.749 1.00 0.00 C ATOM 431 O ASN A 29 6.223 10.776 2.119 1.00 0.00 O ATOM 432 CB ASN A 29 8.260 9.574 -0.258 1.00 0.00 C ATOM 433 CG ASN A 29 7.125 8.765 -0.863 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.951 9.087 -0.691 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.473 7.714 -1.586 1.00 0.00 N ATOM 0 H ASN A 29 9.315 7.920 1.252 1.00 0.00 H new ATOM 0 HA ASN A 29 8.665 10.629 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.251 10.574 -0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.209 9.115 -0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.756 7.137 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.459 7.480 -1.705 1.00 0.00 H new ATOM 442 N ALA A 30 6.101 8.562 1.734 1.00 0.00 N ATOM 443 CA ALA A 30 4.715 8.457 2.163 1.00 0.00 C ATOM 444 C ALA A 30 4.568 8.892 3.612 1.00 0.00 C ATOM 445 O ALA A 30 3.618 9.587 3.971 1.00 0.00 O ATOM 446 CB ALA A 30 4.212 7.038 1.982 1.00 0.00 C ATOM 0 H ALA A 30 6.518 7.682 1.430 1.00 0.00 H new ATOM 0 HA ALA A 30 4.112 9.121 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.174 6.976 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.280 6.759 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.820 6.358 2.578 1.00 0.00 H new ATOM 452 N GLU A 31 5.521 8.481 4.441 1.00 0.00 N ATOM 453 CA GLU A 31 5.499 8.834 5.857 1.00 0.00 C ATOM 454 C GLU A 31 5.417 10.348 6.022 1.00 0.00 C ATOM 455 O GLU A 31 4.744 10.853 6.920 1.00 0.00 O ATOM 456 CB GLU A 31 6.744 8.292 6.561 1.00 0.00 C ATOM 457 CG GLU A 31 6.695 8.430 8.074 1.00 0.00 C ATOM 458 CD GLU A 31 8.058 8.710 8.678 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.757 9.613 8.171 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.425 8.026 9.655 1.00 0.00 O ATOM 0 H GLU A 31 6.315 7.906 4.160 1.00 0.00 H new ATOM 0 HA GLU A 31 4.618 8.383 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.868 7.240 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.622 8.817 6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.011 9.236 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.291 7.514 8.506 1.00 0.00 H new ATOM 467 N ALA A 32 6.102 11.062 5.136 1.00 0.00 N ATOM 468 CA ALA A 32 6.108 12.519 5.157 1.00 0.00 C ATOM 469 C ALA A 32 4.684 13.054 5.138 1.00 0.00 C ATOM 470 O ALA A 32 4.305 13.868 5.979 1.00 0.00 O ATOM 471 CB ALA A 32 6.899 13.065 3.978 1.00 0.00 C ATOM 0 H ALA A 32 6.664 10.652 4.390 1.00 0.00 H new ATOM 0 HA ALA A 32 6.590 12.851 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.893 14.155 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.927 12.706 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.445 12.726 3.047 1.00 0.00 H new ATOM 477 N LYS A 33 3.891 12.570 4.185 1.00 0.00 N ATOM 478 CA LYS A 33 2.500 12.988 4.088 1.00 0.00 C ATOM 479 C LYS A 33 1.764 12.571 5.352 1.00 0.00 C ATOM 480 O LYS A 33 0.801 13.212 5.772 1.00 0.00 O ATOM 481 CB LYS A 33 1.834 12.361 2.864 1.00 0.00 C ATOM 482 CG LYS A 33 2.294 12.960 1.547 1.00 0.00 C ATOM 483 CD LYS A 33 1.958 14.441 1.462 1.00 0.00 C ATOM 484 CE LYS A 33 3.187 15.306 1.693 1.00 0.00 C ATOM 485 NZ LYS A 33 3.908 15.600 0.426 1.00 0.00 N ATOM 0 H LYS A 33 4.185 11.896 3.478 1.00 0.00 H new ATOM 0 HA LYS A 33 2.460 14.072 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.039 11.290 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.754 12.478 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.370 12.823 1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.821 12.430 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.534 14.663 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.196 14.685 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.888 16.242 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.861 14.801 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.623 16.336 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.375 14.736 0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.231 15.934 -0.289 1.00 0.00 H new ATOM 499 N GLY A 34 2.247 11.492 5.962 1.00 0.00 N ATOM 500 CA GLY A 34 1.660 10.995 7.184 1.00 0.00 C ATOM 501 C GLY A 34 0.927 9.687 6.989 1.00 0.00 C ATOM 502 O GLY A 34 -0.056 9.408 7.675 1.00 0.00 O ATOM 0 H GLY A 34 3.043 10.952 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.443 10.860 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.968 11.739 7.579 1.00 0.00 H new ATOM 506 N PHE A 35 1.410 8.876 6.054 1.00 0.00 N ATOM 507 CA PHE A 35 0.801 7.588 5.778 1.00 0.00 C ATOM 508 C PHE A 35 1.592 6.465 6.430 1.00 0.00 C ATOM 509 O PHE A 35 2.778 6.614 6.724 1.00 0.00 O ATOM 510 CB PHE A 35 0.718 7.363 4.272 1.00 0.00 C ATOM 511 CG PHE A 35 0.192 8.552 3.521 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.753 9.389 4.093 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.652 8.834 2.248 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.232 10.486 3.406 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.176 9.932 1.554 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.767 10.758 2.136 1.00 0.00 C ATOM 0 H PHE A 35 2.222 9.092 5.476 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.205 7.586 6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.709 7.113 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.076 6.505 4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.119 9.180 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.390 8.191 1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.969 11.130 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.540 10.143 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.140 11.616 1.597 1.00 0.00 H new ATOM 526 N ASP A 36 0.930 5.337 6.642 1.00 0.00 N ATOM 527 CA ASP A 36 1.574 4.182 7.244 1.00 0.00 C ATOM 528 C ASP A 36 2.234 3.340 6.163 1.00 0.00 C ATOM 529 O ASP A 36 1.584 2.512 5.527 1.00 0.00 O ATOM 530 CB ASP A 36 0.554 3.343 8.019 1.00 0.00 C ATOM 531 CG ASP A 36 1.108 2.827 9.331 1.00 0.00 C ATOM 532 OD1 ASP A 36 2.077 2.038 9.298 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.574 3.210 10.394 1.00 0.00 O ATOM 0 H ASP A 36 -0.052 5.198 6.406 1.00 0.00 H new ATOM 0 HA ASP A 36 2.336 4.528 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.334 3.945 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.239 2.500 7.404 1.00 0.00 H new ATOM 538 N SER A 37 3.525 3.570 5.938 1.00 0.00 N ATOM 539 CA SER A 37 4.250 2.842 4.907 1.00 0.00 C ATOM 540 C SER A 37 4.660 1.464 5.400 1.00 0.00 C ATOM 541 O SER A 37 4.749 1.217 6.602 1.00 0.00 O ATOM 542 CB SER A 37 5.486 3.632 4.473 1.00 0.00 C ATOM 543 OG SER A 37 6.517 3.541 5.442 1.00 0.00 O ATOM 0 H SER A 37 4.085 4.250 6.453 1.00 0.00 H new ATOM 0 HA SER A 37 3.587 2.716 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.847 3.252 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.218 4.677 4.320 1.00 0.00 H new ATOM 0 HG SER A 37 7.126 4.302 5.344 1.00 0.00 H new ATOM 549 N ILE A 38 4.881 0.563 4.452 1.00 0.00 N ATOM 550 CA ILE A 38 5.253 -0.807 4.769 1.00 0.00 C ATOM 551 C ILE A 38 6.001 -1.445 3.603 1.00 0.00 C ATOM 552 O ILE A 38 5.620 -1.281 2.445 1.00 0.00 O ATOM 553 CB ILE A 38 3.993 -1.636 5.100 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.282 -3.140 5.026 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.861 -1.256 4.153 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.507 -3.954 6.039 1.00 0.00 C ATOM 0 H ILE A 38 4.808 0.759 3.454 1.00 0.00 H new ATOM 0 HA ILE A 38 5.911 -0.792 5.638 1.00 0.00 H new ATOM 0 HB ILE A 38 3.690 -1.411 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.044 -3.499 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.349 -3.305 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.975 -1.844 4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.634 -0.196 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.164 -1.456 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.761 -5.008 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.763 -3.622 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.438 -3.819 5.873 1.00 0.00 H new ATOM 568 N VAL A 39 7.069 -2.170 3.917 1.00 0.00 N ATOM 569 CA VAL A 39 7.868 -2.829 2.891 1.00 0.00 C ATOM 570 C VAL A 39 7.774 -4.346 3.009 1.00 0.00 C ATOM 571 O VAL A 39 8.257 -4.933 3.977 1.00 0.00 O ATOM 572 CB VAL A 39 9.349 -2.408 2.978 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.144 -3.003 1.826 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.470 -0.892 2.994 1.00 0.00 C ATOM 0 H VAL A 39 7.401 -2.316 4.871 1.00 0.00 H new ATOM 0 HA VAL A 39 7.465 -2.518 1.927 1.00 0.00 H new ATOM 0 HB VAL A 39 9.764 -2.794 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.186 -2.694 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.084 -4.091 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.732 -2.651 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.521 -0.612 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.038 -0.483 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.937 -0.494 3.857 1.00 0.00 H new ATOM 584 N LEU A 40 7.151 -4.980 2.018 1.00 0.00 N ATOM 585 CA LEU A 40 7.000 -6.432 2.016 1.00 0.00 C ATOM 586 C LEU A 40 7.906 -7.064 0.967 1.00 0.00 C ATOM 587 O LEU A 40 7.845 -6.719 -0.211 1.00 0.00 O ATOM 588 CB LEU A 40 5.536 -6.820 1.755 1.00 0.00 C ATOM 589 CG LEU A 40 5.318 -8.030 0.830 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.065 -9.253 1.348 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.833 -8.329 0.691 1.00 0.00 C ATOM 0 H LEU A 40 6.744 -4.512 1.208 1.00 0.00 H new ATOM 0 HA LEU A 40 7.291 -6.807 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.059 -7.028 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.023 -5.960 1.324 1.00 0.00 H new ATOM 0 HG LEU A 40 5.717 -7.784 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.895 -10.095 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.132 -9.035 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.703 -9.505 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.695 -9.187 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.413 -8.552 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.325 -7.462 0.268 1.00 0.00 H new ATOM 682 N TYR A 46 10.746 -6.146 -3.719 1.00 0.00 N ATOM 683 CA TYR A 46 10.288 -5.452 -2.521 1.00 0.00 C ATOM 684 C TYR A 46 9.200 -4.456 -2.905 1.00 0.00 C ATOM 685 O TYR A 46 9.323 -3.756 -3.903 1.00 0.00 O ATOM 686 CB TYR A 46 11.449 -4.719 -1.840 1.00 0.00 C ATOM 687 CG TYR A 46 12.338 -5.626 -1.027 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.171 -6.543 -1.646 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.339 -5.569 0.361 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.981 -7.384 -0.908 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.148 -6.403 1.108 1.00 0.00 C ATOM 692 CZ TYR A 46 13.968 -7.308 0.469 1.00 0.00 C ATOM 693 OH TYR A 46 14.774 -8.141 1.208 1.00 0.00 O ATOM 0 HA TYR A 46 9.889 -6.184 -1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.050 -4.221 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.047 -3.941 -1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.188 -6.602 -2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.697 -4.861 0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.621 -8.097 -1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.138 -6.346 2.186 1.00 0.00 H new ATOM 0 HH TYR A 46 14.646 -7.958 2.162 1.00 0.00 H new ATOM 703 N LYS A 47 8.130 -4.399 -2.125 1.00 0.00 N ATOM 704 CA LYS A 47 7.033 -3.484 -2.426 1.00 0.00 C ATOM 705 C LYS A 47 6.795 -2.506 -1.293 1.00 0.00 C ATOM 706 O LYS A 47 7.151 -2.765 -0.144 1.00 0.00 O ATOM 707 CB LYS A 47 5.758 -4.263 -2.727 1.00 0.00 C ATOM 708 CG LYS A 47 5.973 -5.403 -3.703 1.00 0.00 C ATOM 709 CD LYS A 47 6.367 -6.675 -2.979 1.00 0.00 C ATOM 710 CE LYS A 47 5.145 -7.483 -2.598 1.00 0.00 C ATOM 711 NZ LYS A 47 4.177 -6.684 -1.794 1.00 0.00 N ATOM 0 H LYS A 47 7.996 -4.967 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 47 7.315 -2.909 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.354 -4.661 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.010 -3.581 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.060 -5.574 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.750 -5.132 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.019 -7.273 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.937 -6.426 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.654 -7.846 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.453 -8.360 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.388 -7.292 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.656 -6.302 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.811 -5.899 -2.370 1.00 0.00 H new ATOM 725 N VAL A 48 6.194 -1.372 -1.633 1.00 0.00 N ATOM 726 CA VAL A 48 5.909 -0.336 -0.656 1.00 0.00 C ATOM 727 C VAL A 48 4.433 0.043 -0.659 1.00 0.00 C ATOM 728 O VAL A 48 3.919 0.595 -1.633 1.00 0.00 O ATOM 729 CB VAL A 48 6.772 0.912 -0.914 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.440 2.023 0.072 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.247 0.550 -0.838 1.00 0.00 C ATOM 0 H VAL A 48 5.895 -1.149 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 48 6.156 -0.740 0.326 1.00 0.00 H new ATOM 0 HB VAL A 48 6.551 1.281 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.065 2.892 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.390 2.299 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.626 1.675 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.850 1.439 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.474 0.156 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.476 -0.205 -1.590 1.00 0.00 H new ATOM 741 N GLN A 49 3.761 -0.256 0.448 1.00 0.00 N ATOM 742 CA GLN A 49 2.347 0.045 0.599 1.00 0.00 C ATOM 743 C GLN A 49 2.147 1.132 1.653 1.00 0.00 C ATOM 744 O GLN A 49 2.829 1.147 2.678 1.00 0.00 O ATOM 745 CB GLN A 49 1.583 -1.224 0.985 1.00 0.00 C ATOM 746 CG GLN A 49 0.123 -0.992 1.341 1.00 0.00 C ATOM 747 CD GLN A 49 -0.330 -1.829 2.520 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.362 -3.057 2.447 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.682 -1.167 3.617 1.00 0.00 N ATOM 0 H GLN A 49 4.180 -0.711 1.259 1.00 0.00 H new ATOM 0 HA GLN A 49 1.959 0.412 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.635 -1.931 0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.082 -1.690 1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.028 0.063 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.499 -1.223 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.640 -0.148 3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.994 -1.678 4.443 1.00 0.00 H new ATOM 758 N ILE A 50 1.207 2.034 1.400 1.00 0.00 N ATOM 759 CA ILE A 50 0.919 3.113 2.330 1.00 0.00 C ATOM 760 C ILE A 50 -0.581 3.296 2.529 1.00 0.00 C ATOM 761 O ILE A 50 -1.331 3.512 1.584 1.00 0.00 O ATOM 762 CB ILE A 50 1.572 4.431 1.883 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.268 4.738 0.413 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.073 4.338 2.110 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.235 5.822 0.227 1.00 0.00 C ATOM 0 H ILE A 50 0.632 2.038 0.557 1.00 0.00 H new ATOM 0 HA ILE A 50 1.352 2.831 3.290 1.00 0.00 H new ATOM 0 HB ILE A 50 1.158 5.248 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.190 5.036 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.921 3.828 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.547 5.268 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.271 4.169 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.478 3.510 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.069 5.988 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.700 5.518 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.589 6.745 0.687 1.00 0.00 H new ATOM 777 N GLY A 51 -0.992 3.209 3.787 1.00 0.00 N ATOM 778 CA GLY A 51 -2.391 3.366 4.143 1.00 0.00 C ATOM 779 C GLY A 51 -3.203 2.109 3.904 1.00 0.00 C ATOM 780 O GLY A 51 -3.485 1.752 2.759 1.00 0.00 O ATOM 0 H GLY A 51 -0.373 3.030 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.464 3.646 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.819 4.185 3.564 1.00 0.00 H new ATOM 784 N ALA A 52 -3.585 1.438 4.986 1.00 0.00 N ATOM 785 CA ALA A 52 -4.379 0.218 4.897 1.00 0.00 C ATOM 786 C ALA A 52 -5.595 0.303 5.812 1.00 0.00 C ATOM 787 O ALA A 52 -5.458 0.435 7.029 1.00 0.00 O ATOM 788 CB ALA A 52 -3.528 -0.992 5.251 1.00 0.00 C ATOM 0 H ALA A 52 -3.356 1.721 5.939 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.730 0.107 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.133 -1.896 5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.689 -1.062 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.151 -0.886 6.268 1.00 0.00 H new ATOM 794 N PHE A 53 -6.785 0.239 5.224 1.00 0.00 N ATOM 795 CA PHE A 53 -8.020 0.323 5.998 1.00 0.00 C ATOM 796 C PHE A 53 -9.038 -0.717 5.543 1.00 0.00 C ATOM 797 O PHE A 53 -8.824 -1.427 4.557 1.00 0.00 O ATOM 798 CB PHE A 53 -8.627 1.725 5.881 1.00 0.00 C ATOM 799 CG PHE A 53 -7.605 2.824 5.788 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.858 2.996 4.633 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.393 3.684 6.852 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.918 4.006 4.542 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.455 4.696 6.768 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.716 4.857 5.612 1.00 0.00 C ATOM 0 H PHE A 53 -6.921 0.130 4.219 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.769 0.121 7.039 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.267 1.761 4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.265 1.908 6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.012 2.333 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.967 3.563 7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.343 4.130 3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.300 5.360 7.605 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.982 5.646 5.545 1.00 0.00 H new ATOM 814 N SER A 54 -10.148 -0.795 6.270 1.00 0.00 N ATOM 815 CA SER A 54 -11.211 -1.739 5.954 1.00 0.00 C ATOM 816 C SER A 54 -12.141 -1.180 4.878 1.00 0.00 C ATOM 817 O SER A 54 -12.897 -1.924 4.256 1.00 0.00 O ATOM 818 CB SER A 54 -12.014 -2.073 7.212 1.00 0.00 C ATOM 819 OG SER A 54 -12.852 -0.993 7.585 1.00 0.00 O ATOM 0 H SER A 54 -10.334 -0.212 7.086 1.00 0.00 H new ATOM 0 HA SER A 54 -10.749 -2.649 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.619 -2.962 7.035 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.333 -2.308 8.030 1.00 0.00 H new ATOM 0 HG SER A 54 -13.356 -1.233 8.391 1.00 0.00 H new ATOM 825 N SER A 55 -12.081 0.133 4.661 1.00 0.00 N ATOM 826 CA SER A 55 -12.919 0.782 3.659 1.00 0.00 C ATOM 827 C SER A 55 -12.079 1.318 2.500 1.00 0.00 C ATOM 828 O SER A 55 -11.104 2.038 2.708 1.00 0.00 O ATOM 829 CB SER A 55 -13.718 1.922 4.293 1.00 0.00 C ATOM 830 OG SER A 55 -14.923 2.157 3.585 1.00 0.00 O ATOM 0 H SER A 55 -11.461 0.766 5.166 1.00 0.00 H new ATOM 0 HA SER A 55 -13.609 0.036 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.944 1.678 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.116 2.830 4.303 1.00 0.00 H new ATOM 0 HG SER A 55 -15.416 2.889 4.012 1.00 0.00 H new ATOM 836 N LYS A 56 -12.470 0.958 1.279 1.00 0.00 N ATOM 837 CA LYS A 56 -11.758 1.398 0.084 1.00 0.00 C ATOM 838 C LYS A 56 -11.656 2.919 0.035 1.00 0.00 C ATOM 839 O LYS A 56 -10.661 3.468 -0.438 1.00 0.00 O ATOM 840 CB LYS A 56 -12.459 0.882 -1.173 1.00 0.00 C ATOM 841 CG LYS A 56 -11.580 0.917 -2.410 1.00 0.00 C ATOM 842 CD LYS A 56 -11.855 2.152 -3.253 1.00 0.00 C ATOM 843 CE LYS A 56 -11.244 2.026 -4.640 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.964 1.026 -5.476 1.00 0.00 N ATOM 0 H LYS A 56 -13.277 0.362 1.093 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.749 0.987 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.791 -0.142 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.352 1.480 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.531 0.904 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.754 0.022 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.931 2.302 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.450 3.032 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.266 2.997 -5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.197 1.737 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.718 1.168 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.688 0.067 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.990 1.143 -5.351 1.00 0.00 H new ATOM 858 N ASP A 57 -12.691 3.597 0.524 1.00 0.00 N ATOM 859 CA ASP A 57 -12.714 5.056 0.534 1.00 0.00 C ATOM 860 C ASP A 57 -11.454 5.619 1.182 1.00 0.00 C ATOM 861 O ASP A 57 -10.977 6.691 0.809 1.00 0.00 O ATOM 862 CB ASP A 57 -13.953 5.560 1.276 1.00 0.00 C ATOM 863 CG ASP A 57 -14.485 6.858 0.700 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.494 6.996 -0.542 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.892 7.737 1.488 1.00 0.00 O ATOM 0 H ASP A 57 -13.524 3.159 0.918 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.751 5.400 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.733 4.800 1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.708 5.706 2.328 1.00 0.00 H new ATOM 870 N ASN A 58 -10.917 4.888 2.152 1.00 0.00 N ATOM 871 CA ASN A 58 -9.710 5.313 2.853 1.00 0.00 C ATOM 872 C ASN A 58 -8.494 5.205 1.938 1.00 0.00 C ATOM 873 O ASN A 58 -7.715 6.149 1.811 1.00 0.00 O ATOM 874 CB ASN A 58 -9.498 4.469 4.109 1.00 0.00 C ATOM 875 CG ASN A 58 -10.639 4.607 5.098 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.348 3.643 5.383 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.821 5.813 5.626 1.00 0.00 N ATOM 0 H ASN A 58 -11.298 3.998 2.471 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.834 6.355 3.147 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.391 3.422 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.566 4.766 4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.573 5.968 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.208 6.584 5.360 1.00 0.00 H new ATOM 884 N ALA A 59 -8.343 4.051 1.299 1.00 0.00 N ATOM 885 CA ALA A 59 -7.229 3.817 0.388 1.00 0.00 C ATOM 886 C ALA A 59 -7.223 4.838 -0.740 1.00 0.00 C ATOM 887 O ALA A 59 -6.168 5.325 -1.137 1.00 0.00 O ATOM 888 CB ALA A 59 -7.300 2.406 -0.171 1.00 0.00 C ATOM 0 H ALA A 59 -8.980 3.260 1.395 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.299 3.929 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.464 2.241 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.250 1.688 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.238 2.276 -0.712 1.00 0.00 H new ATOM 894 N ASP A 60 -8.405 5.158 -1.258 1.00 0.00 N ATOM 895 CA ASP A 60 -8.523 6.123 -2.344 1.00 0.00 C ATOM 896 C ASP A 60 -8.011 7.494 -1.912 1.00 0.00 C ATOM 897 O ASP A 60 -7.201 8.111 -2.605 1.00 0.00 O ATOM 898 CB ASP A 60 -9.979 6.232 -2.802 1.00 0.00 C ATOM 899 CG ASP A 60 -10.386 5.088 -3.710 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.655 4.078 -3.757 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.437 5.205 -4.376 1.00 0.00 O ATOM 0 H ASP A 60 -9.292 4.764 -0.944 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.912 5.772 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.631 6.249 -1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.123 7.177 -3.326 1.00 0.00 H new ATOM 906 N THR A 61 -8.486 7.965 -0.763 1.00 0.00 N ATOM 907 CA THR A 61 -8.071 9.262 -0.241 1.00 0.00 C ATOM 908 C THR A 61 -6.563 9.300 -0.019 1.00 0.00 C ATOM 909 O THR A 61 -5.920 10.330 -0.220 1.00 0.00 O ATOM 910 CB THR A 61 -8.798 9.565 1.071 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.103 9.012 1.061 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.932 11.047 1.352 1.00 0.00 C ATOM 0 H THR A 61 -9.157 7.469 -0.177 1.00 0.00 H new ATOM 0 HA THR A 61 -8.333 10.022 -0.977 1.00 0.00 H new ATOM 0 HB THR A 61 -8.184 9.116 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.060 8.067 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.456 11.192 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.941 11.497 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.495 11.520 0.548 1.00 0.00 H new ATOM 920 N LEU A 62 -6.003 8.163 0.380 1.00 0.00 N ATOM 921 CA LEU A 62 -4.569 8.048 0.618 1.00 0.00 C ATOM 922 C LEU A 62 -3.828 8.092 -0.689 1.00 0.00 C ATOM 923 O LEU A 62 -2.864 8.839 -0.863 1.00 0.00 O ATOM 924 CB LEU A 62 -4.249 6.701 1.256 1.00 0.00 C ATOM 925 CG LEU A 62 -3.044 6.699 2.190 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.871 7.405 1.536 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.395 7.358 3.515 1.00 0.00 C ATOM 0 H LEU A 62 -6.525 7.303 0.546 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.272 8.870 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.123 6.364 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.076 5.973 0.464 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.759 5.666 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.017 7.396 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.606 6.891 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.146 8.436 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.523 7.347 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.704 8.388 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.210 6.811 3.989 1.00 0.00 H new ATOM 939 N ALA A 63 -4.275 7.240 -1.595 1.00 0.00 N ATOM 940 CA ALA A 63 -3.652 7.121 -2.883 1.00 0.00 C ATOM 941 C ALA A 63 -3.568 8.478 -3.575 1.00 0.00 C ATOM 942 O ALA A 63 -2.484 8.949 -3.917 1.00 0.00 O ATOM 943 CB ALA A 63 -4.402 6.118 -3.749 1.00 0.00 C ATOM 0 H ALA A 63 -5.073 6.621 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.636 6.755 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.915 6.041 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.397 5.142 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.431 6.451 -3.884 1.00 0.00 H new ATOM 949 N ALA A 64 -4.729 9.104 -3.768 1.00 0.00 N ATOM 950 CA ALA A 64 -4.799 10.413 -4.407 1.00 0.00 C ATOM 951 C ALA A 64 -3.883 11.404 -3.703 1.00 0.00 C ATOM 952 O ALA A 64 -3.243 12.237 -4.344 1.00 0.00 O ATOM 953 CB ALA A 64 -6.233 10.924 -4.410 1.00 0.00 C ATOM 0 H ALA A 64 -5.633 8.723 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.463 10.311 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.270 11.902 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.867 10.227 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.591 11.010 -3.384 1.00 0.00 H new ATOM 959 N ARG A 65 -3.808 11.293 -2.382 1.00 0.00 N ATOM 960 CA ARG A 65 -2.951 12.162 -1.593 1.00 0.00 C ATOM 961 C ARG A 65 -1.495 11.919 -1.959 1.00 0.00 C ATOM 962 O ARG A 65 -0.699 12.852 -2.052 1.00 0.00 O ATOM 963 CB ARG A 65 -3.167 11.907 -0.101 1.00 0.00 C ATOM 964 CG ARG A 65 -2.891 13.116 0.771 1.00 0.00 C ATOM 965 CD ARG A 65 -3.285 12.855 2.216 1.00 0.00 C ATOM 966 NE ARG A 65 -3.989 13.992 2.806 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.413 14.027 4.067 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.209 12.993 4.872 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.044 15.100 4.525 1.00 0.00 N ATOM 0 H ARG A 65 -4.332 10.608 -1.837 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.205 13.200 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.196 11.583 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.522 11.087 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.832 13.370 0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.443 13.975 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.920 11.971 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.392 12.638 2.802 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.166 14.806 2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.725 12.165 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.536 13.026 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.204 15.898 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.369 15.127 5.491 1.00 0.00 H new ATOM 983 N ALA A 66 -1.161 10.651 -2.187 1.00 0.00 N ATOM 984 CA ALA A 66 0.191 10.280 -2.567 1.00 0.00 C ATOM 985 C ALA A 66 0.520 10.877 -3.922 1.00 0.00 C ATOM 986 O ALA A 66 1.616 11.392 -4.136 1.00 0.00 O ATOM 987 CB ALA A 66 0.350 8.768 -2.580 1.00 0.00 C ATOM 0 H ALA A 66 -1.810 9.868 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 66 0.891 10.677 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.370 8.512 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.143 8.372 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.348 8.335 -3.296 1.00 0.00 H new ATOM 993 N LYS A 67 -0.450 10.832 -4.831 1.00 0.00 N ATOM 994 CA LYS A 67 -0.269 11.394 -6.158 1.00 0.00 C ATOM 995 C LYS A 67 -0.009 12.890 -6.047 1.00 0.00 C ATOM 996 O LYS A 67 0.919 13.422 -6.658 1.00 0.00 O ATOM 997 CB LYS A 67 -1.497 11.134 -7.029 1.00 0.00 C ATOM 998 CG LYS A 67 -1.483 9.776 -7.712 1.00 0.00 C ATOM 999 CD LYS A 67 -2.331 8.764 -6.959 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.118 7.878 -7.912 1.00 0.00 C ATOM 1001 NZ LYS A 67 -4.395 7.407 -7.305 1.00 0.00 N ATOM 0 H LYS A 67 -1.366 10.412 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 67 0.588 10.913 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.392 11.212 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.565 11.913 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.855 9.877 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.458 9.413 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.690 8.145 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.019 9.287 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.333 8.430 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.511 7.018 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.557 6.413 -7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.338 7.489 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.182 7.990 -7.656 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.822 13.553 -5.235 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.674 14.982 -5.003 1.00 0.00 C ATOM 1017 C ASN A 68 0.593 15.246 -4.195 1.00 0.00 C ATOM 1018 O ASN A 68 1.183 16.324 -4.272 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.894 15.526 -4.260 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.078 17.018 -4.457 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.218 17.495 -5.583 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.075 17.764 -3.358 1.00 0.00 N ATOM 0 H ASN A 68 -1.593 13.122 -4.725 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.596 15.490 -5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.787 15.005 -4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.792 15.313 -3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.192 18.775 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.956 17.326 -2.445 1.00 0.00 H new ATOM 1029 N ALA A 69 0.999 14.244 -3.421 1.00 0.00 N ATOM 1030 CA ALA A 69 2.191 14.333 -2.590 1.00 0.00 C ATOM 1031 C ALA A 69 3.460 14.175 -3.419 1.00 0.00 C ATOM 1032 O ALA A 69 4.537 14.610 -3.010 1.00 0.00 O ATOM 1033 CB ALA A 69 2.142 13.269 -1.506 1.00 0.00 C ATOM 0 H ALA A 69 0.511 13.351 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 69 2.212 15.321 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.036 13.339 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.258 13.421 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.096 12.282 -1.967 1.00 0.00 H new ATOM 1039 N GLY A 70 3.329 13.540 -4.578 1.00 0.00 N ATOM 1040 CA GLY A 70 4.473 13.321 -5.440 1.00 0.00 C ATOM 1041 C GLY A 70 4.829 11.851 -5.526 1.00 0.00 C ATOM 1042 O GLY A 70 5.971 11.494 -5.812 1.00 0.00 O ATOM 0 H GLY A 70 2.448 13.172 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.257 13.703 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.328 13.882 -5.062 1.00 0.00 H new ATOM 1046 N PHE A 71 3.842 11.002 -5.258 1.00 0.00 N ATOM 1047 CA PHE A 71 4.032 9.562 -5.283 1.00 0.00 C ATOM 1048 C PHE A 71 2.933 8.910 -6.110 1.00 0.00 C ATOM 1049 O PHE A 71 1.810 9.401 -6.151 1.00 0.00 O ATOM 1050 CB PHE A 71 3.998 9.012 -3.857 1.00 0.00 C ATOM 1051 CG PHE A 71 4.514 9.974 -2.824 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.756 10.571 -2.974 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.753 10.289 -1.707 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.230 11.462 -2.031 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.223 11.182 -0.761 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.463 11.767 -0.923 1.00 0.00 C ATOM 0 H PHE A 71 2.894 11.294 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 71 4.999 9.337 -5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.973 8.740 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.589 8.097 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.360 10.337 -3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.783 9.832 -1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.200 11.920 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.621 11.421 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.833 12.462 -0.184 1.00 0.00 H new ATOM 1066 N ASP A 72 3.248 7.800 -6.758 1.00 0.00 N ATOM 1067 CA ASP A 72 2.262 7.101 -7.569 1.00 0.00 C ATOM 1068 C ASP A 72 1.551 6.030 -6.748 1.00 0.00 C ATOM 1069 O ASP A 72 1.800 4.839 -6.924 1.00 0.00 O ATOM 1070 CB ASP A 72 2.930 6.465 -8.791 1.00 0.00 C ATOM 1071 CG ASP A 72 1.930 5.804 -9.719 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.920 6.454 -10.063 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.156 4.637 -10.101 1.00 0.00 O ATOM 0 H ASP A 72 4.171 7.366 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 72 1.524 7.828 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.480 7.229 -9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.658 5.725 -8.459 1.00 0.00 H new ATOM 1078 N ALA A 73 0.664 6.459 -5.849 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.071 5.523 -5.008 1.00 0.00 C ATOM 1080 C ALA A 73 -1.325 4.998 -5.699 1.00 0.00 C ATOM 1081 O ALA A 73 -2.018 5.732 -6.402 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.453 6.180 -3.692 1.00 0.00 C ATOM 0 H ALA A 73 0.441 7.441 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 73 0.589 4.677 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.001 5.468 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.449 6.495 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.081 7.049 -3.888 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.613 3.725 -5.466 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.787 3.079 -6.033 1.00 0.00 C ATOM 1090 C ILE A 74 -3.491 2.262 -4.957 1.00 0.00 C ATOM 1091 O ILE A 74 -2.898 1.951 -3.931 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.419 2.160 -7.214 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.345 1.155 -6.791 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.943 2.985 -8.399 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.443 -0.171 -7.513 1.00 0.00 C ATOM 0 H ILE A 74 -1.042 3.114 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.449 3.860 -6.407 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.309 1.607 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.361 1.588 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.423 0.982 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.687 2.321 -9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.736 3.664 -8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.064 3.562 -8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.652 -0.835 -7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.413 -0.625 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.335 -0.010 -8.586 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.749 1.913 -5.188 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.502 1.129 -4.215 1.00 0.00 C ATOM 1109 C VAL A 75 -5.802 -0.266 -4.748 1.00 0.00 C ATOM 1110 O VAL A 75 -6.172 -0.434 -5.909 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.820 1.824 -3.817 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.643 0.938 -2.891 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.529 3.165 -3.157 1.00 0.00 C ATOM 0 H VAL A 75 -5.267 2.157 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.875 1.045 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.403 1.999 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.568 1.450 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.879 0.002 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.072 0.727 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.467 3.646 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.925 3.007 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.986 3.803 -3.854 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.636 -1.265 -3.887 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.886 -2.646 -4.269 1.00 0.00 C ATOM 1125 C ILE A 76 -6.578 -3.415 -3.148 1.00 0.00 C ATOM 1126 O ILE A 76 -6.257 -3.248 -1.969 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.577 -3.371 -4.636 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.545 -3.200 -3.523 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.034 -2.843 -5.956 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.622 -4.388 -3.366 1.00 0.00 C ATOM 0 H ILE A 76 -5.330 -1.142 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.539 -2.617 -5.142 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.786 -4.435 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.948 -2.311 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.065 -3.027 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.109 -3.364 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.767 -3.012 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.836 -1.775 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.916 -4.196 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.209 -5.276 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.075 -4.549 -4.295 1.00 0.00 H new