USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=10 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= -0.427 K(o=-0.43,f=-2.8!) 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= -0.681 K(o=-0.68,f=-1.7) 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= -20.8! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -163:sc= -0.126 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.296 (180deg=-1.05!) USER MOD Single : A 49 GLN : amide:sc= -3.73 K(o=-3.7,f=-7.3!) USER MOD Single : A 54 SER OG : rot -14:sc= 0.312 USER MOD Single : A 55 SER OG : rot -134:sc= 1.29 USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 0.0123 (180deg=0.00948) USER MOD Single : A 58 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.7!) USER MOD Single : A 61 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.217 -6.374 1.499 1.00 0.00 N ATOM 121 CA LEU A 9 -8.603 -5.268 2.218 1.00 0.00 C ATOM 122 C LEU A 9 -8.249 -4.156 1.252 1.00 0.00 C ATOM 123 O LEU A 9 -7.764 -4.407 0.150 1.00 0.00 O ATOM 124 CB LEU A 9 -7.352 -5.740 2.962 1.00 0.00 C ATOM 125 CG LEU A 9 -7.615 -6.697 4.125 1.00 0.00 C ATOM 126 CD1 LEU A 9 -7.570 -8.140 3.649 1.00 0.00 C ATOM 127 CD2 LEU A 9 -6.606 -6.470 5.241 1.00 0.00 C ATOM 0 HA LEU A 9 -9.316 -4.889 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.688 -6.231 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.822 -4.867 3.342 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.612 -6.496 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.759 -8.807 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.332 -8.295 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.587 -8.355 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.808 -7.160 6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.599 -6.643 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.687 -5.445 5.602 1.00 0.00 H new ATOM 139 N TYR A 10 -8.483 -2.922 1.670 1.00 0.00 N ATOM 140 CA TYR A 10 -8.181 -1.778 0.833 1.00 0.00 C ATOM 141 C TYR A 10 -6.888 -1.128 1.288 1.00 0.00 C ATOM 142 O TYR A 10 -6.846 -0.449 2.316 1.00 0.00 O ATOM 143 CB TYR A 10 -9.335 -0.779 0.865 1.00 0.00 C ATOM 144 CG TYR A 10 -10.683 -1.421 0.612 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.048 -1.821 -0.666 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.584 -1.629 1.645 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.274 -2.410 -0.907 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.814 -2.217 1.413 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.154 -2.605 0.135 1.00 0.00 C ATOM 150 OH TYR A 10 -14.376 -3.192 -0.100 1.00 0.00 O ATOM 0 H TYR A 10 -8.880 -2.690 2.581 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.053 -2.114 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.352 -0.283 1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.160 -0.007 0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.362 -1.669 -1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.321 -1.327 2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.541 -2.716 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.504 -2.371 2.229 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.875 -3.257 0.741 1.00 0.00 H new ATOM 160 N LYS A 11 -5.834 -1.338 0.514 1.00 0.00 N ATOM 161 CA LYS A 11 -4.529 -0.768 0.832 1.00 0.00 C ATOM 162 C LYS A 11 -3.995 0.037 -0.346 1.00 0.00 C ATOM 163 O LYS A 11 -4.339 -0.234 -1.496 1.00 0.00 O ATOM 164 CB LYS A 11 -3.544 -1.879 1.201 1.00 0.00 C ATOM 165 CG LYS A 11 -4.107 -2.883 2.192 1.00 0.00 C ATOM 166 CD LYS A 11 -3.404 -4.228 2.088 1.00 0.00 C ATOM 167 CE LYS A 11 -3.163 -4.839 3.458 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.737 -6.263 3.365 1.00 0.00 N ATOM 0 H LYS A 11 -5.854 -1.898 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.643 -0.099 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.245 -2.404 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.644 -1.431 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.001 -2.494 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.174 -3.015 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.006 -4.909 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.452 -4.103 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.399 -4.265 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.075 -4.771 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.583 -6.642 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.477 -6.816 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.853 -6.326 2.821 1.00 0.00 H new ATOM 182 N VAL A 12 -3.153 1.029 -0.063 1.00 0.00 N ATOM 183 CA VAL A 12 -2.589 1.857 -1.125 1.00 0.00 C ATOM 184 C VAL A 12 -1.119 1.500 -1.346 1.00 0.00 C ATOM 185 O VAL A 12 -0.385 1.288 -0.393 1.00 0.00 O ATOM 186 CB VAL A 12 -2.716 3.375 -0.829 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.098 4.134 -2.082 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.733 3.664 0.266 1.00 0.00 C ATOM 0 H VAL A 12 -2.850 1.276 0.879 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.164 1.650 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.739 3.709 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.182 5.196 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.333 3.987 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.055 3.766 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.787 4.739 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.712 3.296 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.429 3.164 1.186 1.00 0.00 H new ATOM 198 N GLN A 13 -0.704 1.418 -2.605 1.00 0.00 N ATOM 199 CA GLN A 13 0.678 1.067 -2.934 1.00 0.00 C ATOM 200 C GLN A 13 1.254 2.013 -3.981 1.00 0.00 C ATOM 201 O GLN A 13 0.598 2.326 -4.973 1.00 0.00 O ATOM 202 CB GLN A 13 0.754 -0.375 -3.437 1.00 0.00 C ATOM 203 CG GLN A 13 2.172 -0.918 -3.520 1.00 0.00 C ATOM 204 CD GLN A 13 2.484 -1.543 -4.865 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.728 -1.392 -5.824 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.604 -2.253 -4.942 1.00 0.00 N ATOM 0 H GLN A 13 -1.301 1.589 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 13 1.272 1.162 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.168 -1.013 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.294 -0.431 -4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.877 -0.110 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.318 -1.662 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.202 -2.353 -4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.866 -2.699 -5.821 1.00 0.00 H new ATOM 215 N ILE A 14 2.478 2.478 -3.748 1.00 0.00 N ATOM 216 CA ILE A 14 3.122 3.401 -4.674 1.00 0.00 C ATOM 217 C ILE A 14 4.224 2.742 -5.505 1.00 0.00 C ATOM 218 O ILE A 14 4.777 3.377 -6.403 1.00 0.00 O ATOM 219 CB ILE A 14 3.711 4.621 -3.941 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.653 4.162 -2.818 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.593 5.510 -3.416 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.191 4.515 -1.421 1.00 0.00 C ATOM 0 H ILE A 14 3.039 2.233 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 14 2.333 3.726 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 14 4.299 5.213 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.774 3.081 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.636 4.604 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.023 6.369 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.982 5.856 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.973 4.943 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.918 4.152 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.098 5.597 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.224 4.051 -1.230 1.00 0.00 H new ATOM 234 N GLY A 15 4.537 1.471 -5.236 1.00 0.00 N ATOM 235 CA GLY A 15 5.565 0.812 -6.027 1.00 0.00 C ATOM 236 C GLY A 15 6.197 -0.399 -5.366 1.00 0.00 C ATOM 237 O GLY A 15 5.938 -0.699 -4.201 1.00 0.00 O ATOM 0 H GLY A 15 4.110 0.901 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.130 0.504 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.349 1.535 -6.254 1.00 0.00 H new ATOM 241 N ALA A 16 7.059 -1.072 -6.128 1.00 0.00 N ATOM 242 CA ALA A 16 7.796 -2.244 -5.661 1.00 0.00 C ATOM 243 C ALA A 16 9.124 -2.335 -6.409 1.00 0.00 C ATOM 244 O ALA A 16 9.183 -2.041 -7.604 1.00 0.00 O ATOM 245 CB ALA A 16 6.979 -3.518 -5.850 1.00 0.00 C ATOM 0 H ALA A 16 7.266 -0.817 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 16 7.991 -2.138 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.552 -4.374 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.051 -3.442 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.750 -3.650 -6.907 1.00 0.00 H new ATOM 251 N PHE A 17 10.187 -2.733 -5.722 1.00 0.00 N ATOM 252 CA PHE A 17 11.498 -2.839 -6.362 1.00 0.00 C ATOM 253 C PHE A 17 12.324 -3.963 -5.751 1.00 0.00 C ATOM 254 O PHE A 17 12.191 -4.277 -4.571 1.00 0.00 O ATOM 255 CB PHE A 17 12.260 -1.518 -6.244 1.00 0.00 C ATOM 256 CG PHE A 17 11.402 -0.304 -6.450 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.740 0.280 -5.383 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.261 0.254 -7.711 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.950 1.399 -5.571 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.474 1.373 -7.903 1.00 0.00 C ATOM 261 CZ PHE A 17 9.818 1.946 -6.831 1.00 0.00 C ATOM 0 H PHE A 17 10.172 -2.986 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 17 11.332 -3.067 -7.415 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.722 -1.462 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.068 -1.509 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.842 -0.143 -4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.772 -0.191 -8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.436 1.845 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.372 1.799 -8.890 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.203 2.821 -6.979 1.00 0.00 H new ATOM 271 N LYS A 18 13.187 -4.560 -6.566 1.00 0.00 N ATOM 272 CA LYS A 18 14.045 -5.648 -6.114 1.00 0.00 C ATOM 273 C LYS A 18 14.984 -5.194 -4.997 1.00 0.00 C ATOM 274 O LYS A 18 15.603 -6.021 -4.327 1.00 0.00 O ATOM 275 CB LYS A 18 14.860 -6.199 -7.284 1.00 0.00 C ATOM 276 CG LYS A 18 15.525 -7.534 -6.986 1.00 0.00 C ATOM 277 CD LYS A 18 17.030 -7.468 -7.190 1.00 0.00 C ATOM 278 CE LYS A 18 17.610 -8.838 -7.508 1.00 0.00 C ATOM 279 NZ LYS A 18 19.088 -8.788 -7.684 1.00 0.00 N ATOM 0 H LYS A 18 13.311 -4.307 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 18 13.402 -6.434 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.207 -6.313 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.626 -5.473 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.309 -7.827 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.103 -8.304 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.258 -6.778 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.503 -7.071 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.363 -9.532 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.149 -9.225 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.444 -9.741 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 19.323 -8.145 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.530 -8.443 -6.808 1.00 0.00 H new ATOM 293 N VAL A 19 15.097 -3.883 -4.801 1.00 0.00 N ATOM 294 CA VAL A 19 15.973 -3.343 -3.770 1.00 0.00 C ATOM 295 C VAL A 19 15.183 -2.803 -2.581 1.00 0.00 C ATOM 296 O VAL A 19 14.294 -1.969 -2.736 1.00 0.00 O ATOM 297 CB VAL A 19 16.865 -2.218 -4.327 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.892 -1.788 -3.292 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.548 -2.662 -5.612 1.00 0.00 C ATOM 0 H VAL A 19 14.594 -3.179 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 19 16.598 -4.170 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 19 16.233 -1.360 -4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.513 -0.992 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.380 -1.424 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.520 -2.639 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.174 -1.853 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.167 -3.536 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.793 -2.915 -6.357 1.00 0.00 H new ATOM 309 N LYS A 20 15.530 -3.287 -1.392 1.00 0.00 N ATOM 310 CA LYS A 20 14.878 -2.865 -0.162 1.00 0.00 C ATOM 311 C LYS A 20 15.212 -1.415 0.146 1.00 0.00 C ATOM 312 O LYS A 20 14.347 -0.651 0.562 1.00 0.00 O ATOM 313 CB LYS A 20 15.311 -3.758 1.002 1.00 0.00 C ATOM 314 CG LYS A 20 14.593 -3.447 2.306 1.00 0.00 C ATOM 315 CD LYS A 20 15.573 -3.118 3.426 1.00 0.00 C ATOM 316 CE LYS A 20 15.479 -1.658 3.839 1.00 0.00 C ATOM 317 NZ LYS A 20 16.510 -1.300 4.853 1.00 0.00 N ATOM 0 H LYS A 20 16.267 -3.979 -1.257 1.00 0.00 H new ATOM 0 HA LYS A 20 13.800 -2.956 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.131 -4.800 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.385 -3.649 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.916 -2.606 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.981 -4.301 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.370 -3.754 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.589 -3.340 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.598 -1.024 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.487 -1.458 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.412 -0.297 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.381 -1.887 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.458 -1.466 4.458 1.00 0.00 H new ATOM 331 N ALA A 21 16.469 -1.033 -0.075 1.00 0.00 N ATOM 332 CA ALA A 21 16.894 0.339 0.168 1.00 0.00 C ATOM 333 C ALA A 21 16.029 1.299 -0.635 1.00 0.00 C ATOM 334 O ALA A 21 15.742 2.415 -0.202 1.00 0.00 O ATOM 335 CB ALA A 21 18.363 0.515 -0.189 1.00 0.00 C ATOM 0 H ALA A 21 17.204 -1.651 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 21 16.774 0.562 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.662 1.546 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.968 -0.156 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.512 0.281 -1.243 1.00 0.00 H new ATOM 341 N ASN A 22 15.591 0.834 -1.801 1.00 0.00 N ATOM 342 CA ASN A 22 14.731 1.626 -2.661 1.00 0.00 C ATOM 343 C ASN A 22 13.311 1.599 -2.118 1.00 0.00 C ATOM 344 O ASN A 22 12.578 2.585 -2.212 1.00 0.00 O ATOM 345 CB ASN A 22 14.759 1.086 -4.093 1.00 0.00 C ATOM 346 CG ASN A 22 16.111 1.277 -4.755 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.013 1.892 -4.187 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.256 0.750 -5.966 1.00 0.00 N ATOM 0 H ASN A 22 15.820 -0.089 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 22 15.093 2.654 -2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.508 0.025 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.994 1.589 -4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.142 0.848 -6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.481 0.248 -6.400 1.00 0.00 H new ATOM 355 N ALA A 23 12.933 0.463 -1.530 1.00 0.00 N ATOM 356 CA ALA A 23 11.603 0.317 -0.954 1.00 0.00 C ATOM 357 C ALA A 23 11.488 1.099 0.355 1.00 0.00 C ATOM 358 O ALA A 23 10.386 1.407 0.812 1.00 0.00 O ATOM 359 CB ALA A 23 11.284 -1.152 -0.728 1.00 0.00 C ATOM 0 H ALA A 23 13.527 -0.362 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 23 10.878 0.727 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.287 -1.246 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.320 -1.683 -1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.016 -1.582 -0.045 1.00 0.00 H new ATOM 365 N ASP A 24 12.634 1.419 0.953 1.00 0.00 N ATOM 366 CA ASP A 24 12.669 2.166 2.205 1.00 0.00 C ATOM 367 C ASP A 24 12.583 3.665 1.937 1.00 0.00 C ATOM 368 O ASP A 24 11.930 4.400 2.676 1.00 0.00 O ATOM 369 CB ASP A 24 13.947 1.842 2.981 1.00 0.00 C ATOM 370 CG ASP A 24 13.669 1.067 4.254 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.843 0.132 4.212 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.278 1.397 5.295 1.00 0.00 O ATOM 0 H ASP A 24 13.553 1.171 0.587 1.00 0.00 H new ATOM 0 HA ASP A 24 11.809 1.871 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.618 1.264 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.463 2.769 3.229 1.00 0.00 H new ATOM 377 N SER A 25 13.230 4.105 0.863 1.00 0.00 N ATOM 378 CA SER A 25 13.204 5.512 0.491 1.00 0.00 C ATOM 379 C SER A 25 11.790 5.908 0.085 1.00 0.00 C ATOM 380 O SER A 25 11.314 6.998 0.405 1.00 0.00 O ATOM 381 CB SER A 25 14.177 5.783 -0.658 1.00 0.00 C ATOM 382 OG SER A 25 14.763 7.067 -0.542 1.00 0.00 O ATOM 0 H SER A 25 13.775 3.510 0.239 1.00 0.00 H new ATOM 0 HA SER A 25 13.513 6.109 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.958 5.023 -0.663 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.651 5.705 -1.609 1.00 0.00 H new ATOM 0 HG SER A 25 15.381 7.213 -1.288 1.00 0.00 H new ATOM 388 N LEU A 26 11.123 4.995 -0.611 1.00 0.00 N ATOM 389 CA LEU A 26 9.756 5.214 -1.059 1.00 0.00 C ATOM 390 C LEU A 26 8.815 5.297 0.141 1.00 0.00 C ATOM 391 O LEU A 26 8.046 6.252 0.284 1.00 0.00 O ATOM 392 CB LEU A 26 9.334 4.078 -1.994 1.00 0.00 C ATOM 393 CG LEU A 26 7.967 4.240 -2.660 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.918 5.506 -3.503 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.648 3.025 -3.516 1.00 0.00 C ATOM 0 H LEU A 26 11.511 4.090 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 26 9.702 6.157 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.088 3.976 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.333 3.147 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 26 7.216 4.324 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.935 5.597 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.102 6.373 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.681 5.456 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.672 3.155 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.409 2.915 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.634 2.133 -2.890 1.00 0.00 H new ATOM 407 N ALA A 27 8.898 4.300 1.016 1.00 0.00 N ATOM 408 CA ALA A 27 8.069 4.270 2.216 1.00 0.00 C ATOM 409 C ALA A 27 8.307 5.518 3.063 1.00 0.00 C ATOM 410 O ALA A 27 7.448 5.926 3.845 1.00 0.00 O ATOM 411 CB ALA A 27 8.361 3.015 3.026 1.00 0.00 C ATOM 0 H ALA A 27 9.529 3.504 0.917 1.00 0.00 H new ATOM 0 HA ALA A 27 7.022 4.255 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.736 3.005 3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.145 2.134 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.411 3.007 3.318 1.00 0.00 H new ATOM 417 N SER A 28 9.481 6.122 2.890 1.00 0.00 N ATOM 418 CA SER A 28 9.841 7.327 3.624 1.00 0.00 C ATOM 419 C SER A 28 9.065 8.530 3.098 1.00 0.00 C ATOM 420 O SER A 28 8.591 9.363 3.871 1.00 0.00 O ATOM 421 CB SER A 28 11.344 7.587 3.518 1.00 0.00 C ATOM 422 OG SER A 28 12.038 7.019 4.614 1.00 0.00 O ATOM 0 H SER A 28 10.199 5.793 2.245 1.00 0.00 H new ATOM 0 HA SER A 28 9.582 7.177 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.724 7.168 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.529 8.661 3.483 1.00 0.00 H new ATOM 0 HG SER A 28 12.997 7.198 4.522 1.00 0.00 H new ATOM 428 N ASN A 29 8.932 8.612 1.776 1.00 0.00 N ATOM 429 CA ASN A 29 8.206 9.713 1.153 1.00 0.00 C ATOM 430 C ASN A 29 6.765 9.752 1.646 1.00 0.00 C ATOM 431 O ASN A 29 6.253 10.808 2.019 1.00 0.00 O ATOM 432 CB ASN A 29 8.255 9.592 -0.379 1.00 0.00 C ATOM 433 CG ASN A 29 7.118 8.772 -0.967 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.945 9.087 -0.786 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.468 7.719 -1.687 1.00 0.00 N ATOM 0 H ASN A 29 9.316 7.932 1.119 1.00 0.00 H new ATOM 0 HA ASN A 29 8.688 10.648 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.232 10.591 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.204 9.140 -0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.751 7.134 -2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.454 7.492 -1.813 1.00 0.00 H new ATOM 442 N ALA A 30 6.119 8.593 1.648 1.00 0.00 N ATOM 443 CA ALA A 30 4.739 8.497 2.095 1.00 0.00 C ATOM 444 C ALA A 30 4.620 8.908 3.555 1.00 0.00 C ATOM 445 O ALA A 30 3.676 9.596 3.943 1.00 0.00 O ATOM 446 CB ALA A 30 4.214 7.086 1.897 1.00 0.00 C ATOM 0 H ALA A 30 6.529 7.709 1.346 1.00 0.00 H new ATOM 0 HA ALA A 30 4.135 9.178 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.180 7.032 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.263 6.825 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.822 6.388 2.472 1.00 0.00 H new ATOM 452 N GLU A 31 5.588 8.485 4.359 1.00 0.00 N ATOM 453 CA GLU A 31 5.594 8.815 5.780 1.00 0.00 C ATOM 454 C GLU A 31 5.515 10.324 5.972 1.00 0.00 C ATOM 455 O GLU A 31 4.855 10.813 6.890 1.00 0.00 O ATOM 456 CB GLU A 31 6.853 8.262 6.450 1.00 0.00 C ATOM 457 CG GLU A 31 6.822 8.351 7.967 1.00 0.00 C ATOM 458 CD GLU A 31 8.205 8.285 8.584 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.122 8.950 8.057 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.373 7.567 9.592 1.00 0.00 O ATOM 0 H GLU A 31 6.377 7.915 4.053 1.00 0.00 H new ATOM 0 HA GLU A 31 4.722 8.357 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.982 7.220 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.721 8.807 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.341 9.283 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.213 7.538 8.362 1.00 0.00 H new ATOM 467 N ALA A 32 6.186 11.055 5.087 1.00 0.00 N ATOM 468 CA ALA A 32 6.193 12.512 5.135 1.00 0.00 C ATOM 469 C ALA A 32 4.770 13.046 5.126 1.00 0.00 C ATOM 470 O ALA A 32 4.395 13.860 5.969 1.00 0.00 O ATOM 471 CB ALA A 32 6.984 13.077 3.965 1.00 0.00 C ATOM 0 H ALA A 32 6.735 10.659 4.324 1.00 0.00 H new ATOM 0 HA ALA A 32 6.675 12.829 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.980 14.166 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.011 12.715 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.528 12.755 3.029 1.00 0.00 H new ATOM 477 N LYS A 33 3.969 12.561 4.179 1.00 0.00 N ATOM 478 CA LYS A 33 2.577 12.976 4.093 1.00 0.00 C ATOM 479 C LYS A 33 1.853 12.558 5.363 1.00 0.00 C ATOM 480 O LYS A 33 0.894 13.198 5.792 1.00 0.00 O ATOM 481 CB LYS A 33 1.901 12.344 2.878 1.00 0.00 C ATOM 482 CG LYS A 33 2.175 13.077 1.579 1.00 0.00 C ATOM 483 CD LYS A 33 1.489 14.434 1.549 1.00 0.00 C ATOM 484 CE LYS A 33 2.435 15.547 1.972 1.00 0.00 C ATOM 485 NZ LYS A 33 1.774 16.521 2.883 1.00 0.00 N ATOM 0 H LYS A 33 4.259 11.888 3.469 1.00 0.00 H new ATOM 0 HA LYS A 33 2.535 14.060 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.239 11.312 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.825 12.313 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.250 13.209 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.828 12.474 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.118 14.633 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.623 14.420 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.303 15.116 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.801 16.068 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.452 17.264 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.960 16.952 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.447 16.029 3.739 1.00 0.00 H new ATOM 499 N GLY A 34 2.343 11.479 5.969 1.00 0.00 N ATOM 500 CA GLY A 34 1.767 10.981 7.194 1.00 0.00 C ATOM 501 C GLY A 34 1.019 9.681 6.997 1.00 0.00 C ATOM 502 O GLY A 34 0.044 9.404 7.696 1.00 0.00 O ATOM 0 H GLY A 34 3.137 10.940 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.558 10.833 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.087 11.729 7.602 1.00 0.00 H new ATOM 506 N PHE A 35 1.481 8.877 6.047 1.00 0.00 N ATOM 507 CA PHE A 35 0.858 7.597 5.767 1.00 0.00 C ATOM 508 C PHE A 35 1.638 6.464 6.414 1.00 0.00 C ATOM 509 O PHE A 35 2.836 6.587 6.672 1.00 0.00 O ATOM 510 CB PHE A 35 0.772 7.377 4.260 1.00 0.00 C ATOM 511 CG PHE A 35 0.233 8.561 3.514 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.713 9.395 4.091 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.683 8.847 2.239 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.202 10.487 3.406 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.199 9.942 1.547 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.745 10.761 2.133 1.00 0.00 C ATOM 0 H PHE A 35 2.286 9.093 5.459 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.148 7.605 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.765 7.138 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.138 6.513 4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.071 9.187 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.421 8.208 1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.941 11.127 3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.558 10.156 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.126 11.616 1.595 1.00 0.00 H new ATOM 526 N ASP A 36 0.955 5.357 6.659 1.00 0.00 N ATOM 527 CA ASP A 36 1.589 4.193 7.259 1.00 0.00 C ATOM 528 C ASP A 36 2.252 3.356 6.177 1.00 0.00 C ATOM 529 O ASP A 36 1.607 2.513 5.552 1.00 0.00 O ATOM 530 CB ASP A 36 0.559 3.354 8.018 1.00 0.00 C ATOM 531 CG ASP A 36 0.373 3.822 9.448 1.00 0.00 C ATOM 532 OD1 ASP A 36 0.579 5.024 9.712 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.020 2.983 10.305 1.00 0.00 O ATOM 0 H ASP A 36 -0.037 5.240 6.452 1.00 0.00 H new ATOM 0 HA ASP A 36 2.347 4.530 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.397 3.399 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.874 2.310 8.018 1.00 0.00 H new ATOM 538 N SER A 37 3.536 3.604 5.936 1.00 0.00 N ATOM 539 CA SER A 37 4.260 2.882 4.903 1.00 0.00 C ATOM 540 C SER A 37 4.696 1.514 5.401 1.00 0.00 C ATOM 541 O SER A 37 4.789 1.275 6.605 1.00 0.00 O ATOM 542 CB SER A 37 5.481 3.684 4.449 1.00 0.00 C ATOM 543 OG SER A 37 6.400 3.861 5.513 1.00 0.00 O ATOM 0 H SER A 37 4.091 4.296 6.440 1.00 0.00 H new ATOM 0 HA SER A 37 3.589 2.744 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.971 3.169 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.162 4.657 4.074 1.00 0.00 H new ATOM 0 HG SER A 37 7.021 4.586 5.292 1.00 0.00 H new ATOM 549 N ILE A 38 4.929 0.611 4.460 1.00 0.00 N ATOM 550 CA ILE A 38 5.320 -0.751 4.786 1.00 0.00 C ATOM 551 C ILE A 38 6.056 -1.396 3.615 1.00 0.00 C ATOM 552 O ILE A 38 5.679 -1.214 2.457 1.00 0.00 O ATOM 553 CB ILE A 38 4.075 -1.589 5.145 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.373 -3.091 5.068 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.920 -1.218 4.223 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.660 -3.905 6.124 1.00 0.00 C ATOM 0 H ILE A 38 4.853 0.799 3.460 1.00 0.00 H new ATOM 0 HA ILE A 38 5.991 -0.718 5.644 1.00 0.00 H new ATOM 0 HB ILE A 38 3.793 -1.365 6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.087 -3.459 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.448 -3.245 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.043 -1.812 4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.687 -0.159 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.202 -1.416 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.918 -4.958 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.964 -3.564 7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.583 -3.781 6.013 1.00 0.00 H new ATOM 568 N VAL A 39 7.106 -2.150 3.921 1.00 0.00 N ATOM 569 CA VAL A 39 7.888 -2.819 2.890 1.00 0.00 C ATOM 570 C VAL A 39 7.805 -4.335 3.031 1.00 0.00 C ATOM 571 O VAL A 39 8.268 -4.896 4.022 1.00 0.00 O ATOM 572 CB VAL A 39 9.366 -2.391 2.941 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.121 -2.941 1.741 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.481 -0.876 3.006 1.00 0.00 C ATOM 0 H VAL A 39 7.434 -2.313 4.873 1.00 0.00 H new ATOM 0 HA VAL A 39 7.463 -2.523 1.931 1.00 0.00 H new ATOM 0 HB VAL A 39 9.815 -2.804 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.164 -2.629 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.067 -4.030 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.673 -2.559 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.533 -0.592 3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.016 -0.438 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.976 -0.511 3.900 1.00 0.00 H new ATOM 584 N LEU A 40 7.216 -4.997 2.036 1.00 0.00 N ATOM 585 CA LEU A 40 7.086 -6.450 2.066 1.00 0.00 C ATOM 586 C LEU A 40 7.984 -7.095 1.020 1.00 0.00 C ATOM 587 O LEU A 40 7.896 -6.782 -0.168 1.00 0.00 O ATOM 588 CB LEU A 40 5.627 -6.867 1.836 1.00 0.00 C ATOM 589 CG LEU A 40 5.421 -8.098 0.939 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.184 -9.300 1.484 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.940 -8.419 0.804 1.00 0.00 C ATOM 0 H LEU A 40 6.824 -4.553 1.206 1.00 0.00 H new ATOM 0 HA LEU A 40 7.398 -6.795 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.168 -7.065 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.093 -6.025 1.395 1.00 0.00 H new ATOM 0 HG LEU A 40 5.815 -7.867 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.023 -10.159 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.248 -9.068 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.827 -9.533 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.814 -9.293 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.521 -8.626 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.422 -7.568 0.361 1.00 0.00 H new ATOM 682 N TYR A 46 10.683 -6.146 -3.503 1.00 0.00 N ATOM 683 CA TYR A 46 10.198 -5.472 -2.300 1.00 0.00 C ATOM 684 C TYR A 46 9.058 -4.523 -2.667 1.00 0.00 C ATOM 685 O TYR A 46 9.156 -3.779 -3.641 1.00 0.00 O ATOM 686 CB TYR A 46 11.321 -4.677 -1.630 1.00 0.00 C ATOM 687 CG TYR A 46 12.285 -5.522 -0.833 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.188 -6.360 -1.470 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.295 -5.478 0.554 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.074 -7.134 -0.747 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.179 -6.248 1.287 1.00 0.00 C ATOM 692 CZ TYR A 46 14.067 -7.074 0.632 1.00 0.00 C ATOM 693 OH TYR A 46 14.951 -7.841 1.354 1.00 0.00 O ATOM 0 HA TYR A 46 9.842 -6.230 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.876 -4.137 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.879 -3.930 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.198 -6.408 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.600 -4.831 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.769 -7.783 -1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.174 -6.203 2.366 1.00 0.00 H new ATOM 0 HH TYR A 46 14.817 -7.681 2.311 1.00 0.00 H new ATOM 703 N LYS A 47 7.981 -4.550 -1.893 1.00 0.00 N ATOM 704 CA LYS A 47 6.836 -3.685 -2.160 1.00 0.00 C ATOM 705 C LYS A 47 6.743 -2.549 -1.162 1.00 0.00 C ATOM 706 O LYS A 47 7.119 -2.690 -0.001 1.00 0.00 O ATOM 707 CB LYS A 47 5.540 -4.487 -2.132 1.00 0.00 C ATOM 708 CG LYS A 47 5.198 -5.103 -3.470 1.00 0.00 C ATOM 709 CD LYS A 47 6.100 -6.281 -3.766 1.00 0.00 C ATOM 710 CE LYS A 47 5.667 -7.513 -2.999 1.00 0.00 C ATOM 711 NZ LYS A 47 4.193 -7.726 -3.064 1.00 0.00 N ATOM 0 H LYS A 47 7.875 -5.157 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 47 6.983 -3.259 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.624 -5.277 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.723 -3.837 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.157 -5.427 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.300 -4.355 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.086 -6.492 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.128 -6.030 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.177 -8.388 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.973 -7.417 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.982 -8.736 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.729 -7.178 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.837 -7.413 -3.990 1.00 0.00 H new ATOM 725 N VAL A 48 6.223 -1.424 -1.631 1.00 0.00 N ATOM 726 CA VAL A 48 6.052 -0.248 -0.798 1.00 0.00 C ATOM 727 C VAL A 48 4.584 0.153 -0.741 1.00 0.00 C ATOM 728 O VAL A 48 4.060 0.773 -1.668 1.00 0.00 O ATOM 729 CB VAL A 48 6.897 0.924 -1.324 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.675 2.172 -0.481 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.372 0.543 -1.348 1.00 0.00 C ATOM 0 H VAL A 48 5.910 -1.303 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 48 6.392 -0.494 0.208 1.00 0.00 H new ATOM 0 HB VAL A 48 6.581 1.147 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.283 2.988 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.623 2.454 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.960 1.969 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.958 1.382 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.700 0.293 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.515 -0.319 -2.000 1.00 0.00 H new ATOM 741 N GLN A 49 3.921 -0.216 0.350 1.00 0.00 N ATOM 742 CA GLN A 49 2.507 0.087 0.528 1.00 0.00 C ATOM 743 C GLN A 49 2.299 1.155 1.597 1.00 0.00 C ATOM 744 O GLN A 49 2.992 1.176 2.613 1.00 0.00 O ATOM 745 CB GLN A 49 1.747 -1.187 0.911 1.00 0.00 C ATOM 746 CG GLN A 49 0.251 -1.101 0.671 1.00 0.00 C ATOM 747 CD GLN A 49 -0.460 -2.405 0.981 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.811 -2.675 2.129 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.673 -3.220 -0.046 1.00 0.00 N ATOM 0 H GLN A 49 4.342 -0.727 1.126 1.00 0.00 H new ATOM 0 HA GLN A 49 2.122 0.473 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.150 -2.025 0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.925 -1.403 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.168 -0.306 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.067 -0.828 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.364 -2.954 -0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.146 -4.112 0.100 1.00 0.00 H new ATOM 758 N ILE A 50 1.330 2.036 1.361 1.00 0.00 N ATOM 759 CA ILE A 50 1.015 3.099 2.299 1.00 0.00 C ATOM 760 C ILE A 50 -0.491 3.257 2.486 1.00 0.00 C ATOM 761 O ILE A 50 -1.237 3.482 1.535 1.00 0.00 O ATOM 762 CB ILE A 50 1.647 4.432 1.868 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.333 4.753 0.403 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.151 4.358 2.090 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.277 5.815 0.234 1.00 0.00 C ATOM 0 H ILE A 50 0.749 2.030 0.522 1.00 0.00 H new ATOM 0 HA ILE A 50 1.444 2.813 3.260 1.00 0.00 H new ATOM 0 HB ILE A 50 1.224 5.236 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.247 5.078 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.005 3.842 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.610 5.299 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.355 4.178 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.567 3.544 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.105 5.992 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.650 5.484 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.611 6.739 0.706 1.00 0.00 H new ATOM 777 N GLY A 51 -0.911 3.140 3.737 1.00 0.00 N ATOM 778 CA GLY A 51 -2.311 3.269 4.090 1.00 0.00 C ATOM 779 C GLY A 51 -3.102 1.998 3.843 1.00 0.00 C ATOM 780 O GLY A 51 -3.380 1.642 2.696 1.00 0.00 O ATOM 0 H GLY A 51 -0.294 2.954 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.391 3.542 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.752 4.083 3.515 1.00 0.00 H new ATOM 784 N ALA A 52 -3.474 1.319 4.924 1.00 0.00 N ATOM 785 CA ALA A 52 -4.249 0.086 4.829 1.00 0.00 C ATOM 786 C ALA A 52 -5.457 0.144 5.757 1.00 0.00 C ATOM 787 O ALA A 52 -5.309 0.268 6.973 1.00 0.00 O ATOM 788 CB ALA A 52 -3.374 -1.113 5.165 1.00 0.00 C ATOM 0 H ALA A 52 -3.251 1.603 5.878 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.608 -0.023 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.964 -2.026 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.540 -1.162 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.991 -1.011 6.180 1.00 0.00 H new ATOM 794 N PHE A 53 -6.652 0.063 5.180 1.00 0.00 N ATOM 795 CA PHE A 53 -7.879 0.123 5.969 1.00 0.00 C ATOM 796 C PHE A 53 -8.906 -0.895 5.483 1.00 0.00 C ATOM 797 O PHE A 53 -8.717 -1.550 4.455 1.00 0.00 O ATOM 798 CB PHE A 53 -8.481 1.529 5.913 1.00 0.00 C ATOM 799 CG PHE A 53 -7.457 2.628 5.853 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.736 2.855 4.692 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.216 3.430 6.956 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.795 3.865 4.632 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.274 4.440 6.902 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.562 4.658 5.739 1.00 0.00 C ATOM 0 H PHE A 53 -6.797 -0.044 4.176 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.619 -0.119 6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.129 1.602 5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.110 1.679 6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.911 2.236 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.770 3.264 7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.242 4.034 3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.095 5.058 7.769 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.825 5.446 5.695 1.00 0.00 H new ATOM 814 N SER A 54 -9.995 -1.016 6.234 1.00 0.00 N ATOM 815 CA SER A 54 -11.065 -1.945 5.894 1.00 0.00 C ATOM 816 C SER A 54 -12.032 -1.325 4.887 1.00 0.00 C ATOM 817 O SER A 54 -12.829 -2.029 4.268 1.00 0.00 O ATOM 818 CB SER A 54 -11.825 -2.365 7.153 1.00 0.00 C ATOM 819 OG SER A 54 -12.986 -3.108 6.827 1.00 0.00 O ATOM 0 H SER A 54 -10.160 -0.480 7.086 1.00 0.00 H new ATOM 0 HA SER A 54 -10.612 -2.826 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.174 -2.963 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.105 -1.480 7.724 1.00 0.00 H new ATOM 0 HG SER A 54 -13.186 -3.001 5.873 1.00 0.00 H new ATOM 825 N SER A 55 -11.962 -0.003 4.728 1.00 0.00 N ATOM 826 CA SER A 55 -12.835 0.702 3.793 1.00 0.00 C ATOM 827 C SER A 55 -12.041 1.275 2.620 1.00 0.00 C ATOM 828 O SER A 55 -11.040 1.965 2.812 1.00 0.00 O ATOM 829 CB SER A 55 -13.584 1.824 4.516 1.00 0.00 C ATOM 830 OG SER A 55 -14.965 1.802 4.198 1.00 0.00 O ATOM 0 H SER A 55 -11.311 0.598 5.233 1.00 0.00 H new ATOM 0 HA SER A 55 -13.555 -0.015 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.454 1.717 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.159 2.788 4.237 1.00 0.00 H new ATOM 0 HG SER A 55 -15.267 2.710 3.987 1.00 0.00 H new ATOM 836 N LYS A 56 -12.498 0.983 1.405 1.00 0.00 N ATOM 837 CA LYS A 56 -11.837 1.464 0.197 1.00 0.00 C ATOM 838 C LYS A 56 -11.703 2.984 0.207 1.00 0.00 C ATOM 839 O LYS A 56 -10.711 3.531 -0.276 1.00 0.00 O ATOM 840 CB LYS A 56 -12.612 1.019 -1.044 1.00 0.00 C ATOM 841 CG LYS A 56 -11.795 1.090 -2.323 1.00 0.00 C ATOM 842 CD LYS A 56 -12.040 2.392 -3.068 1.00 0.00 C ATOM 843 CE LYS A 56 -11.815 2.230 -4.563 1.00 0.00 C ATOM 844 NZ LYS A 56 -10.444 1.737 -4.868 1.00 0.00 N ATOM 0 H LYS A 56 -13.326 0.414 1.232 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.836 1.033 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.959 -0.004 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.499 1.643 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.735 1.000 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.050 0.248 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.061 2.729 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.376 3.164 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.550 1.533 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.976 3.187 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.314 1.688 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.742 2.388 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.316 0.790 -4.458 1.00 0.00 H new ATOM 858 N ASP A 57 -12.704 3.662 0.760 1.00 0.00 N ATOM 859 CA ASP A 57 -12.693 5.120 0.831 1.00 0.00 C ATOM 860 C ASP A 57 -11.407 5.626 1.478 1.00 0.00 C ATOM 861 O ASP A 57 -10.933 6.720 1.170 1.00 0.00 O ATOM 862 CB ASP A 57 -13.904 5.622 1.616 1.00 0.00 C ATOM 863 CG ASP A 57 -14.089 4.887 2.928 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.380 5.219 3.901 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.942 3.976 2.984 1.00 0.00 O ATOM 0 H ASP A 57 -13.532 3.226 1.165 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.742 5.508 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.789 6.688 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.801 5.505 1.008 1.00 0.00 H new ATOM 870 N ASN A 58 -10.847 4.823 2.376 1.00 0.00 N ATOM 871 CA ASN A 58 -9.615 5.189 3.066 1.00 0.00 C ATOM 872 C ASN A 58 -8.424 5.124 2.115 1.00 0.00 C ATOM 873 O ASN A 58 -7.638 6.066 2.024 1.00 0.00 O ATOM 874 CB ASN A 58 -9.381 4.267 4.263 1.00 0.00 C ATOM 875 CG ASN A 58 -10.589 4.187 5.178 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.208 3.134 5.319 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.928 5.309 5.805 1.00 0.00 N ATOM 0 H ASN A 58 -11.226 3.915 2.643 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.717 6.213 3.424 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.133 3.268 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.522 4.624 4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.731 5.319 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.385 6.160 5.658 1.00 0.00 H new ATOM 884 N ALA A 59 -8.304 4.006 1.407 1.00 0.00 N ATOM 885 CA ALA A 59 -7.213 3.814 0.459 1.00 0.00 C ATOM 886 C ALA A 59 -7.255 4.863 -0.643 1.00 0.00 C ATOM 887 O ALA A 59 -6.221 5.379 -1.055 1.00 0.00 O ATOM 888 CB ALA A 59 -7.273 2.417 -0.133 1.00 0.00 C ATOM 0 H ALA A 59 -8.949 3.219 1.472 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.271 3.929 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.453 2.286 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.186 1.680 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.223 2.281 -0.650 1.00 0.00 H new ATOM 894 N ASP A 60 -8.455 5.172 -1.125 1.00 0.00 N ATOM 895 CA ASP A 60 -8.615 6.163 -2.185 1.00 0.00 C ATOM 896 C ASP A 60 -8.086 7.523 -1.743 1.00 0.00 C ATOM 897 O ASP A 60 -7.292 8.149 -2.447 1.00 0.00 O ATOM 898 CB ASP A 60 -10.087 6.281 -2.585 1.00 0.00 C ATOM 899 CG ASP A 60 -10.487 5.264 -3.635 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.582 4.680 -4.272 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.702 5.050 -3.824 1.00 0.00 O ATOM 0 H ASP A 60 -9.327 4.753 -0.801 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.037 5.831 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.712 6.151 -1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.277 7.285 -2.965 1.00 0.00 H new ATOM 906 N THR A 61 -8.531 7.976 -0.576 1.00 0.00 N ATOM 907 CA THR A 61 -8.099 9.263 -0.041 1.00 0.00 C ATOM 908 C THR A 61 -6.583 9.302 0.126 1.00 0.00 C ATOM 909 O THR A 61 -5.946 10.326 -0.121 1.00 0.00 O ATOM 910 CB THR A 61 -8.780 9.536 1.300 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.173 9.291 1.215 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.593 10.957 1.788 1.00 0.00 C ATOM 0 H THR A 61 -9.190 7.472 0.017 1.00 0.00 H new ATOM 0 HA THR A 61 -8.387 10.039 -0.751 1.00 0.00 H new ATOM 0 HB THR A 61 -8.303 8.859 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.362 8.374 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.101 11.083 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.530 11.162 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.013 11.650 1.059 1.00 0.00 H new ATOM 920 N LEU A 62 -6.011 8.173 0.533 1.00 0.00 N ATOM 921 CA LEU A 62 -4.568 8.062 0.724 1.00 0.00 C ATOM 922 C LEU A 62 -3.864 8.133 -0.604 1.00 0.00 C ATOM 923 O LEU A 62 -2.904 8.882 -0.789 1.00 0.00 O ATOM 924 CB LEU A 62 -4.225 6.709 1.332 1.00 0.00 C ATOM 925 CG LEU A 62 -2.992 6.695 2.227 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.836 7.403 1.543 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.299 7.342 3.570 1.00 0.00 C ATOM 0 H LEU A 62 -6.528 7.318 0.738 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.254 8.876 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.080 6.362 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.076 5.993 0.524 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.705 5.659 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.962 7.385 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.602 6.896 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.113 8.437 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.407 7.323 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.610 8.375 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.100 6.792 4.064 1.00 0.00 H new ATOM 939 N ALA A 63 -4.338 7.302 -1.516 1.00 0.00 N ATOM 940 CA ALA A 63 -3.753 7.209 -2.825 1.00 0.00 C ATOM 941 C ALA A 63 -3.690 8.576 -3.496 1.00 0.00 C ATOM 942 O ALA A 63 -2.613 9.068 -3.830 1.00 0.00 O ATOM 943 CB ALA A 63 -4.521 6.218 -3.684 1.00 0.00 C ATOM 0 H ALA A 63 -5.133 6.681 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.731 6.846 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.063 6.161 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.496 5.234 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.556 6.547 -3.782 1.00 0.00 H new ATOM 949 N ALA A 64 -4.859 9.190 -3.678 1.00 0.00 N ATOM 950 CA ALA A 64 -4.941 10.507 -4.299 1.00 0.00 C ATOM 951 C ALA A 64 -3.998 11.481 -3.606 1.00 0.00 C ATOM 952 O ALA A 64 -3.385 12.334 -4.246 1.00 0.00 O ATOM 953 CB ALA A 64 -6.371 11.027 -4.252 1.00 0.00 C ATOM 0 H ALA A 64 -5.759 8.796 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.639 10.417 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.416 12.011 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.026 10.340 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.697 11.103 -3.215 1.00 0.00 H new ATOM 959 N ARG A 65 -3.872 11.328 -2.291 1.00 0.00 N ATOM 960 CA ARG A 65 -2.988 12.175 -1.508 1.00 0.00 C ATOM 961 C ARG A 65 -1.540 11.919 -1.905 1.00 0.00 C ATOM 962 O ARG A 65 -0.737 12.845 -1.998 1.00 0.00 O ATOM 963 CB ARG A 65 -3.183 11.894 -0.017 1.00 0.00 C ATOM 964 CG ARG A 65 -2.930 13.100 0.871 1.00 0.00 C ATOM 965 CD ARG A 65 -3.396 12.839 2.296 1.00 0.00 C ATOM 966 NE ARG A 65 -4.212 13.934 2.813 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.488 14.126 2.484 1.00 0.00 C ATOM 968 NH1 ARG A 65 -6.095 13.301 1.641 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.159 15.147 3.004 1.00 0.00 N ATOM 0 H ARG A 65 -4.372 10.624 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.228 13.220 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.201 11.541 0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.514 11.087 0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.866 13.339 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.452 13.968 0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.970 11.913 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.529 12.697 2.941 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.780 14.590 3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.584 12.514 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.073 13.454 1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.697 15.783 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.136 15.296 2.753 1.00 0.00 H new ATOM 983 N ALA A 66 -1.224 10.652 -2.156 1.00 0.00 N ATOM 984 CA ALA A 66 0.118 10.272 -2.566 1.00 0.00 C ATOM 985 C ALA A 66 0.432 10.886 -3.918 1.00 0.00 C ATOM 986 O ALA A 66 1.530 11.392 -4.143 1.00 0.00 O ATOM 987 CB ALA A 66 0.261 8.759 -2.604 1.00 0.00 C ATOM 0 H ALA A 66 -1.880 9.874 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 66 0.834 10.651 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.273 8.497 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.067 8.350 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.454 8.344 -3.314 1.00 0.00 H new ATOM 993 N LYS A 67 -0.555 10.863 -4.811 1.00 0.00 N ATOM 994 CA LYS A 67 -0.388 11.443 -6.133 1.00 0.00 C ATOM 995 C LYS A 67 -0.125 12.936 -6.009 1.00 0.00 C ATOM 996 O LYS A 67 0.793 13.474 -6.625 1.00 0.00 O ATOM 997 CB LYS A 67 -1.627 11.189 -6.991 1.00 0.00 C ATOM 998 CG LYS A 67 -1.490 9.992 -7.919 1.00 0.00 C ATOM 999 CD LYS A 67 -2.680 9.052 -7.802 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.419 7.733 -8.510 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.609 7.846 -9.984 1.00 0.00 N ATOM 0 H LYS A 67 -1.472 10.450 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 67 0.465 10.971 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.486 11.035 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.835 12.078 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.399 10.338 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.574 9.451 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.895 8.865 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.563 9.527 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.402 7.403 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.090 6.970 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.422 6.925 -10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.587 8.136 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.951 8.556 -10.365 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.927 13.593 -5.177 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.774 15.019 -4.935 1.00 0.00 C ATOM 1017 C ASN A 68 0.501 15.271 -4.135 1.00 0.00 C ATOM 1018 O ASN A 68 1.091 16.350 -4.200 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.986 15.558 -4.175 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.186 17.047 -4.384 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.167 17.474 -4.994 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.253 17.847 -3.878 1.00 0.00 N ATOM 0 H ASN A 68 -1.690 13.157 -4.659 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.704 15.537 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.880 15.025 -4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.863 15.357 -3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.334 18.858 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.456 17.450 -3.380 1.00 0.00 H new ATOM 1029 N ALA A 69 0.915 14.255 -3.382 1.00 0.00 N ATOM 1030 CA ALA A 69 2.116 14.334 -2.564 1.00 0.00 C ATOM 1031 C ALA A 69 3.376 14.199 -3.413 1.00 0.00 C ATOM 1032 O ALA A 69 4.451 14.643 -3.016 1.00 0.00 O ATOM 1033 CB ALA A 69 2.086 13.243 -1.502 1.00 0.00 C ATOM 0 H ALA A 69 0.429 13.360 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 69 2.138 15.312 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.987 13.305 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.209 13.375 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.041 12.267 -1.985 1.00 0.00 H new ATOM 1039 N GLY A 70 3.236 13.572 -4.575 1.00 0.00 N ATOM 1040 CA GLY A 70 4.370 13.374 -5.456 1.00 0.00 C ATOM 1041 C GLY A 70 4.734 11.910 -5.573 1.00 0.00 C ATOM 1042 O GLY A 70 5.872 11.565 -5.890 1.00 0.00 O ATOM 0 H GLY A 70 2.354 13.196 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.138 13.772 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.226 13.934 -5.080 1.00 0.00 H new ATOM 1046 N PHE A 71 3.758 11.049 -5.303 1.00 0.00 N ATOM 1047 CA PHE A 71 3.958 9.611 -5.358 1.00 0.00 C ATOM 1048 C PHE A 71 2.848 8.968 -6.179 1.00 0.00 C ATOM 1049 O PHE A 71 1.718 9.448 -6.184 1.00 0.00 O ATOM 1050 CB PHE A 71 3.950 9.033 -3.942 1.00 0.00 C ATOM 1051 CG PHE A 71 4.471 9.987 -2.899 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.707 10.595 -3.057 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.722 10.282 -1.768 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.189 11.476 -2.106 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.199 11.163 -0.816 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.432 11.762 -0.985 1.00 0.00 C ATOM 0 H PHE A 71 2.813 11.329 -5.042 1.00 0.00 H new ATOM 0 HA PHE A 71 4.920 9.402 -5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.932 8.744 -3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.553 8.125 -3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.300 10.378 -3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.756 9.818 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.155 11.940 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.607 11.383 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.804 12.453 -0.243 1.00 0.00 H new ATOM 1066 N ASP A 72 3.161 7.877 -6.864 1.00 0.00 N ATOM 1067 CA ASP A 72 2.163 7.188 -7.670 1.00 0.00 C ATOM 1068 C ASP A 72 1.474 6.097 -6.856 1.00 0.00 C ATOM 1069 O ASP A 72 1.735 4.911 -7.054 1.00 0.00 O ATOM 1070 CB ASP A 72 2.811 6.581 -8.916 1.00 0.00 C ATOM 1071 CG ASP A 72 1.788 6.040 -9.896 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.696 5.630 -9.449 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.077 6.024 -11.111 1.00 0.00 O ATOM 0 H ASP A 72 4.089 7.453 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 72 1.414 7.916 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.419 7.338 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.484 5.777 -8.617 1.00 0.00 H new ATOM 1078 N ALA A 73 0.595 6.500 -5.939 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.118 5.543 -5.104 1.00 0.00 C ATOM 1080 C ALA A 73 -1.356 4.991 -5.800 1.00 0.00 C ATOM 1081 O ALA A 73 -2.067 5.713 -6.498 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.515 6.184 -3.783 1.00 0.00 C ATOM 0 H ALA A 73 0.363 7.477 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 73 0.561 4.711 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.047 5.456 -3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.380 6.517 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.163 7.040 -3.974 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.610 3.706 -5.583 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.766 3.036 -6.162 1.00 0.00 C ATOM 1090 C ILE A 74 -3.477 2.216 -5.092 1.00 0.00 C ATOM 1091 O ILE A 74 -2.851 1.754 -4.143 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.362 2.111 -7.325 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.327 1.085 -6.856 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.817 2.927 -8.487 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.252 -0.143 -7.737 1.00 0.00 C ATOM 0 H ILE A 74 -1.024 3.103 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.434 3.804 -6.552 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.248 1.575 -7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.346 1.559 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.567 0.778 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.536 2.259 -9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.582 3.621 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.941 3.487 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.499 -0.826 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.222 -0.641 -7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.982 0.152 -8.751 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.780 2.034 -5.247 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.552 1.262 -4.280 1.00 0.00 C ATOM 1109 C VAL A 75 -5.911 -0.109 -4.834 1.00 0.00 C ATOM 1110 O VAL A 75 -6.327 -0.237 -5.986 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.837 2.004 -3.856 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.678 1.143 -2.921 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.488 3.331 -3.197 1.00 0.00 C ATOM 0 H VAL A 75 -5.323 2.406 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.921 1.134 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.428 2.205 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.578 1.688 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.958 0.220 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.100 0.904 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.404 3.843 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.875 3.149 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.935 3.952 -3.901 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.743 -1.133 -4.005 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.045 -2.498 -4.409 1.00 0.00 C ATOM 1125 C ILE A 76 -6.814 -3.238 -3.321 1.00 0.00 C ATOM 1126 O ILE A 76 -6.514 -3.109 -2.131 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.761 -3.283 -4.737 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.779 -3.215 -3.564 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.117 -2.744 -6.005 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.612 -4.168 -3.697 1.00 0.00 C ATOM 0 H ILE A 76 -5.399 -1.042 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.662 -2.432 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.027 -4.327 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.398 -2.197 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.314 -3.435 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.211 -3.310 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.814 -2.842 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.864 -1.693 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.958 -4.065 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.983 -5.192 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.053 -3.935 -4.603 1.00 0.00 H new