USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 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+ -148:sc= -0.595 (180deg=-1.01) USER MOD Single : A 13 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -122:sc= 0.0133 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.894 K(o=-0.89,f=-4.7!) 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= -22.2! C(o=-22!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -149:sc= -2.36! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.1) USER MOD Single : A 49 GLN : amide:sc= -2.55! C(o=-2.5!,f=-5!) USER MOD Single : A 54 SER OG : rot -30:sc= 0.0668 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.6!) USER MOD Single : A 61 THR OG1 : rot -80:sc= 1.02 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.292 -6.394 1.624 1.00 0.00 N ATOM 121 CA LEU A 9 -8.722 -5.258 2.328 1.00 0.00 C ATOM 122 C LEU A 9 -8.370 -4.158 1.345 1.00 0.00 C ATOM 123 O LEU A 9 -7.871 -4.427 0.255 1.00 0.00 O ATOM 124 CB LEU A 9 -7.481 -5.682 3.114 1.00 0.00 C ATOM 125 CG LEU A 9 -7.745 -6.650 4.269 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.510 -7.491 4.554 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.170 -5.887 5.515 1.00 0.00 C ATOM 0 HA LEU A 9 -9.463 -4.878 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.775 -6.146 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.999 -4.789 3.512 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.556 -7.318 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.717 -8.173 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.247 -8.065 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.679 -6.838 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.354 -6.590 6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.379 -5.196 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.082 -5.328 5.306 1.00 0.00 H new ATOM 139 N TYR A 10 -8.616 -2.920 1.739 1.00 0.00 N ATOM 140 CA TYR A 10 -8.311 -1.790 0.887 1.00 0.00 C ATOM 141 C TYR A 10 -7.020 -1.136 1.341 1.00 0.00 C ATOM 142 O TYR A 10 -6.978 -0.462 2.372 1.00 0.00 O ATOM 143 CB TYR A 10 -9.462 -0.788 0.899 1.00 0.00 C ATOM 144 CG TYR A 10 -10.809 -1.425 0.632 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.145 -1.867 -0.639 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.739 -1.590 1.649 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.370 -2.453 -0.893 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.966 -2.175 1.406 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.279 -2.605 0.134 1.00 0.00 C ATOM 150 OH TYR A 10 -14.500 -3.190 -0.112 1.00 0.00 O ATOM 0 H TYR A 10 -9.025 -2.675 2.641 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.181 -2.141 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.489 -0.287 1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.275 -0.020 0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.436 -1.751 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.499 -1.255 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.615 -2.790 -1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.678 -2.295 2.209 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.021 -3.222 0.718 1.00 0.00 H new ATOM 160 N LYS A 11 -5.967 -1.340 0.564 1.00 0.00 N ATOM 161 CA LYS A 11 -4.663 -0.767 0.885 1.00 0.00 C ATOM 162 C LYS A 11 -4.107 -0.002 -0.311 1.00 0.00 C ATOM 163 O LYS A 11 -4.443 -0.304 -1.455 1.00 0.00 O ATOM 164 CB LYS A 11 -3.688 -1.869 1.302 1.00 0.00 C ATOM 165 CG LYS A 11 -4.276 -2.856 2.299 1.00 0.00 C ATOM 166 CD LYS A 11 -3.789 -4.274 2.036 1.00 0.00 C ATOM 167 CE LYS A 11 -2.915 -4.786 3.171 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.716 -5.471 4.223 1.00 0.00 N ATOM 0 H LYS A 11 -5.987 -1.896 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.787 -0.073 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.364 -2.412 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.800 -1.411 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.002 -2.558 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.364 -2.828 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.646 -4.936 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.226 -4.299 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.171 -5.477 2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.371 -3.952 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.267 -5.327 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.678 -5.076 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.763 -6.489 4.016 1.00 0.00 H new ATOM 182 N VAL A 12 -3.256 0.987 -0.047 1.00 0.00 N ATOM 183 CA VAL A 12 -2.673 1.776 -1.127 1.00 0.00 C ATOM 184 C VAL A 12 -1.207 1.390 -1.338 1.00 0.00 C ATOM 185 O VAL A 12 -0.483 1.160 -0.380 1.00 0.00 O ATOM 186 CB VAL A 12 -2.783 3.303 -0.866 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.121 4.041 -2.144 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.830 3.627 0.191 1.00 0.00 C ATOM 0 H VAL A 12 -2.959 1.258 0.891 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.243 1.553 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.811 3.631 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.193 5.109 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.339 3.865 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.074 3.680 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.873 4.706 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.804 3.267 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.563 3.140 1.129 1.00 0.00 H new ATOM 198 N GLN A 13 -0.783 1.301 -2.596 1.00 0.00 N ATOM 199 CA GLN A 13 0.594 0.922 -2.919 1.00 0.00 C ATOM 200 C GLN A 13 1.215 1.895 -3.914 1.00 0.00 C ATOM 201 O GLN A 13 0.562 2.317 -4.868 1.00 0.00 O ATOM 202 CB GLN A 13 0.633 -0.498 -3.486 1.00 0.00 C ATOM 203 CG GLN A 13 2.040 -1.055 -3.636 1.00 0.00 C ATOM 204 CD GLN A 13 2.050 -2.543 -3.923 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.637 -2.995 -4.906 1.00 0.00 O ATOM 206 NE2 GLN A 13 1.399 -3.317 -3.062 1.00 0.00 N ATOM 0 H GLN A 13 -1.371 1.485 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 13 1.176 0.958 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.058 -1.156 -2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.143 -0.505 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.551 -0.530 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.603 -0.861 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.925 -2.902 -2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.373 -4.327 -3.203 1.00 0.00 H new ATOM 215 N ILE A 14 2.473 2.267 -3.680 1.00 0.00 N ATOM 216 CA ILE A 14 3.150 3.213 -4.559 1.00 0.00 C ATOM 217 C ILE A 14 4.261 2.577 -5.399 1.00 0.00 C ATOM 218 O ILE A 14 4.813 3.240 -6.278 1.00 0.00 O ATOM 219 CB ILE A 14 3.738 4.399 -3.773 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.645 3.890 -2.645 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.619 5.281 -3.239 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.158 4.225 -1.252 1.00 0.00 C ATOM 0 H ILE A 14 3.036 1.931 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 14 2.375 3.567 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 14 4.349 5.006 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.741 2.808 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.642 4.310 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.047 6.116 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.028 5.663 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.979 4.697 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.858 3.828 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.090 5.307 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.175 3.781 -1.094 1.00 0.00 H new ATOM 234 N GLY A 15 4.585 1.302 -5.168 1.00 0.00 N ATOM 235 CA GLY A 15 5.621 0.684 -5.985 1.00 0.00 C ATOM 236 C GLY A 15 6.270 -0.551 -5.387 1.00 0.00 C ATOM 237 O GLY A 15 6.021 -0.919 -4.239 1.00 0.00 O ATOM 0 H GLY A 15 4.165 0.704 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.188 0.416 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.397 1.424 -6.179 1.00 0.00 H new ATOM 241 N ALA A 16 7.142 -1.165 -6.192 1.00 0.00 N ATOM 242 CA ALA A 16 7.905 -2.345 -5.800 1.00 0.00 C ATOM 243 C ALA A 16 9.228 -2.363 -6.571 1.00 0.00 C ATOM 244 O ALA A 16 9.274 -1.925 -7.721 1.00 0.00 O ATOM 245 CB ALA A 16 7.105 -3.620 -6.052 1.00 0.00 C ATOM 0 H ALA A 16 7.337 -0.851 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 16 8.114 -2.301 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.696 -4.485 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.182 -3.591 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.865 -3.695 -7.113 1.00 0.00 H new ATOM 251 N PHE A 17 10.305 -2.844 -5.953 1.00 0.00 N ATOM 252 CA PHE A 17 11.602 -2.874 -6.624 1.00 0.00 C ATOM 253 C PHE A 17 12.491 -3.983 -6.077 1.00 0.00 C ATOM 254 O PHE A 17 12.424 -4.322 -4.900 1.00 0.00 O ATOM 255 CB PHE A 17 12.317 -1.528 -6.472 1.00 0.00 C ATOM 256 CG PHE A 17 11.401 -0.340 -6.561 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.758 0.139 -5.431 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.185 0.296 -7.773 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.916 1.233 -5.509 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.345 1.389 -7.856 1.00 0.00 C ATOM 261 CZ PHE A 17 9.711 1.859 -6.723 1.00 0.00 C ATOM 0 H PHE A 17 10.306 -3.213 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 17 11.415 -3.071 -7.680 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.831 -1.507 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.081 -1.444 -7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.916 -0.347 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.679 -0.067 -8.662 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.419 1.597 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.184 1.876 -8.807 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.056 2.715 -6.786 1.00 0.00 H new ATOM 271 N LYS A 18 13.335 -4.535 -6.941 1.00 0.00 N ATOM 272 CA LYS A 18 14.249 -5.604 -6.549 1.00 0.00 C ATOM 273 C LYS A 18 15.127 -5.193 -5.365 1.00 0.00 C ATOM 274 O LYS A 18 15.725 -6.045 -4.710 1.00 0.00 O ATOM 275 CB LYS A 18 15.131 -6.000 -7.735 1.00 0.00 C ATOM 276 CG LYS A 18 15.649 -7.427 -7.658 1.00 0.00 C ATOM 277 CD LYS A 18 16.779 -7.663 -8.648 1.00 0.00 C ATOM 278 CE LYS A 18 17.856 -8.562 -8.061 1.00 0.00 C ATOM 279 NZ LYS A 18 19.221 -8.017 -8.294 1.00 0.00 N ATOM 0 H LYS A 18 13.406 -4.260 -7.921 1.00 0.00 H new ATOM 0 HA LYS A 18 13.646 -6.457 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.562 -5.878 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.979 -5.317 -7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.000 -7.634 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.835 -8.122 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.380 -8.116 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.218 -6.708 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.689 -8.677 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.781 -9.555 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.926 -8.659 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 19.391 -7.931 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 19.301 -7.080 -7.850 1.00 0.00 H new ATOM 293 N VAL A 19 15.211 -3.892 -5.098 1.00 0.00 N ATOM 294 CA VAL A 19 16.030 -3.395 -3.998 1.00 0.00 C ATOM 295 C VAL A 19 15.178 -2.878 -2.840 1.00 0.00 C ATOM 296 O VAL A 19 14.266 -2.076 -3.033 1.00 0.00 O ATOM 297 CB VAL A 19 16.965 -2.263 -4.467 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.937 -1.878 -3.363 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.712 -2.671 -5.729 1.00 0.00 C ATOM 0 H VAL A 19 14.725 -3.167 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 19 16.623 -4.241 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 19 16.355 -1.390 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.588 -1.077 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.380 -1.536 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.541 -2.744 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.366 -1.858 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.309 -3.560 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.996 -2.887 -6.522 1.00 0.00 H new ATOM 309 N LYS A 20 15.497 -3.344 -1.636 1.00 0.00 N ATOM 310 CA LYS A 20 14.785 -2.940 -0.434 1.00 0.00 C ATOM 311 C LYS A 20 15.166 -1.519 -0.047 1.00 0.00 C ATOM 312 O LYS A 20 14.319 -0.743 0.388 1.00 0.00 O ATOM 313 CB LYS A 20 15.097 -3.899 0.718 1.00 0.00 C ATOM 314 CG LYS A 20 14.474 -3.488 2.044 1.00 0.00 C ATOM 315 CD LYS A 20 15.519 -3.369 3.142 1.00 0.00 C ATOM 316 CE LYS A 20 16.031 -1.942 3.270 1.00 0.00 C ATOM 317 NZ LYS A 20 16.567 -1.664 4.630 1.00 0.00 N ATOM 0 H LYS A 20 16.253 -4.009 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 20 13.715 -2.974 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.744 -4.896 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.178 -3.966 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.961 -2.534 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.721 -4.221 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.089 -3.689 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.352 -4.038 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.812 -1.769 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.222 -1.245 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.051 -0.865 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.448 -2.506 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.577 -1.427 4.563 1.00 0.00 H new ATOM 331 N ALA A 21 16.442 -1.170 -0.228 1.00 0.00 N ATOM 332 CA ALA A 21 16.905 0.174 0.088 1.00 0.00 C ATOM 333 C ALA A 21 16.058 1.191 -0.657 1.00 0.00 C ATOM 334 O ALA A 21 15.741 2.264 -0.138 1.00 0.00 O ATOM 335 CB ALA A 21 18.375 0.332 -0.274 1.00 0.00 C ATOM 0 H ALA A 21 17.163 -1.795 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 21 16.803 0.344 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.703 1.343 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.968 -0.388 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.508 0.154 -1.341 1.00 0.00 H new ATOM 341 N ASN A 22 15.659 0.820 -1.869 1.00 0.00 N ATOM 342 CA ASN A 22 14.811 1.668 -2.684 1.00 0.00 C ATOM 343 C ASN A 22 13.404 1.658 -2.110 1.00 0.00 C ATOM 344 O ASN A 22 12.683 2.654 -2.176 1.00 0.00 O ATOM 345 CB ASN A 22 14.795 1.180 -4.134 1.00 0.00 C ATOM 346 CG ASN A 22 16.156 1.286 -4.795 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.166 0.861 -4.235 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.188 1.857 -5.994 1.00 0.00 N ATOM 0 H ASN A 22 15.913 -0.066 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 22 15.204 2.685 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.460 0.143 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.071 1.764 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.075 1.957 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.326 2.195 -6.421 1.00 0.00 H new ATOM 355 N ALA A 23 13.025 0.522 -1.523 1.00 0.00 N ATOM 356 CA ALA A 23 11.710 0.384 -0.914 1.00 0.00 C ATOM 357 C ALA A 23 11.635 1.164 0.399 1.00 0.00 C ATOM 358 O ALA A 23 10.551 1.486 0.882 1.00 0.00 O ATOM 359 CB ALA A 23 11.387 -1.083 -0.679 1.00 0.00 C ATOM 0 H ALA A 23 13.611 -0.311 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 23 10.971 0.799 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.401 -1.170 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.395 -1.614 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.133 -1.518 -0.014 1.00 0.00 H new ATOM 365 N ASP A 24 12.801 1.465 0.971 1.00 0.00 N ATOM 366 CA ASP A 24 12.869 2.209 2.224 1.00 0.00 C ATOM 367 C ASP A 24 12.740 3.706 1.970 1.00 0.00 C ATOM 368 O ASP A 24 12.103 4.425 2.739 1.00 0.00 O ATOM 369 CB ASP A 24 14.186 1.914 2.947 1.00 0.00 C ATOM 370 CG ASP A 24 14.016 1.839 4.451 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.467 2.797 5.035 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.432 0.822 5.045 1.00 0.00 O ATOM 0 H ASP A 24 13.709 1.205 0.586 1.00 0.00 H new ATOM 0 HA ASP A 24 12.039 1.890 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.594 0.971 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.912 2.690 2.705 1.00 0.00 H new ATOM 377 N SER A 25 13.332 4.165 0.872 1.00 0.00 N ATOM 378 CA SER A 25 13.263 5.574 0.508 1.00 0.00 C ATOM 379 C SER A 25 11.841 5.930 0.089 1.00 0.00 C ATOM 380 O SER A 25 11.349 7.024 0.370 1.00 0.00 O ATOM 381 CB SER A 25 14.237 5.880 -0.633 1.00 0.00 C ATOM 382 OG SER A 25 14.326 7.275 -0.868 1.00 0.00 O ATOM 0 H SER A 25 13.862 3.584 0.222 1.00 0.00 H new ATOM 0 HA SER A 25 13.543 6.174 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.223 5.486 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.908 5.375 -1.541 1.00 0.00 H new ATOM 0 HG SER A 25 14.955 7.444 -1.600 1.00 0.00 H new ATOM 388 N LEU A 26 11.187 4.983 -0.572 1.00 0.00 N ATOM 389 CA LEU A 26 9.817 5.166 -1.028 1.00 0.00 C ATOM 390 C LEU A 26 8.870 5.274 0.165 1.00 0.00 C ATOM 391 O LEU A 26 8.089 6.222 0.273 1.00 0.00 O ATOM 392 CB LEU A 26 9.411 3.996 -1.927 1.00 0.00 C ATOM 393 CG LEU A 26 8.008 4.079 -2.529 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.847 5.341 -3.359 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.720 2.852 -3.380 1.00 0.00 C ATOM 0 H LEU A 26 11.588 4.074 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 26 9.754 6.091 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.132 3.920 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.485 3.075 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 26 7.291 4.114 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.841 5.376 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.009 6.215 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.576 5.339 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.717 2.928 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.449 2.791 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.787 1.957 -2.762 1.00 0.00 H new ATOM 407 N ALA A 27 8.958 4.306 1.073 1.00 0.00 N ATOM 408 CA ALA A 27 8.122 4.307 2.267 1.00 0.00 C ATOM 409 C ALA A 27 8.354 5.578 3.078 1.00 0.00 C ATOM 410 O ALA A 27 7.467 6.049 3.789 1.00 0.00 O ATOM 411 CB ALA A 27 8.408 3.075 3.115 1.00 0.00 C ATOM 0 H ALA A 27 9.597 3.514 1.004 1.00 0.00 H new ATOM 0 HA ALA A 27 7.077 4.280 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.776 3.090 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.197 2.177 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.456 3.075 3.415 1.00 0.00 H new ATOM 417 N SER A 28 9.557 6.130 2.954 1.00 0.00 N ATOM 418 CA SER A 28 9.917 7.353 3.662 1.00 0.00 C ATOM 419 C SER A 28 9.121 8.538 3.125 1.00 0.00 C ATOM 420 O SER A 28 8.647 9.379 3.889 1.00 0.00 O ATOM 421 CB SER A 28 11.416 7.624 3.526 1.00 0.00 C ATOM 422 OG SER A 28 11.905 8.354 4.638 1.00 0.00 O ATOM 0 H SER A 28 10.300 5.749 2.369 1.00 0.00 H new ATOM 0 HA SER A 28 9.676 7.221 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.953 6.679 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.606 8.181 2.609 1.00 0.00 H new ATOM 0 HG SER A 28 12.866 8.513 4.528 1.00 0.00 H new ATOM 428 N ASN A 29 8.973 8.596 1.804 1.00 0.00 N ATOM 429 CA ASN A 29 8.227 9.675 1.170 1.00 0.00 C ATOM 430 C ASN A 29 6.786 9.692 1.662 1.00 0.00 C ATOM 431 O ASN A 29 6.255 10.741 2.027 1.00 0.00 O ATOM 432 CB ASN A 29 8.279 9.541 -0.361 1.00 0.00 C ATOM 433 CG ASN A 29 7.148 8.713 -0.946 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.972 8.994 -0.728 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.501 7.691 -1.706 1.00 0.00 N ATOM 0 H ASN A 29 9.359 7.910 1.155 1.00 0.00 H new ATOM 0 HA ASN A 29 8.691 10.622 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.254 10.537 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.230 9.090 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.786 7.104 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.488 7.490 -1.863 1.00 0.00 H new ATOM 442 N ALA A 30 6.158 8.521 1.667 1.00 0.00 N ATOM 443 CA ALA A 30 4.780 8.403 2.115 1.00 0.00 C ATOM 444 C ALA A 30 4.652 8.839 3.565 1.00 0.00 C ATOM 445 O ALA A 30 3.705 9.534 3.935 1.00 0.00 O ATOM 446 CB ALA A 30 4.289 6.976 1.938 1.00 0.00 C ATOM 0 H ALA A 30 6.582 7.644 1.366 1.00 0.00 H new ATOM 0 HA ALA A 30 4.159 9.060 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.256 6.902 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.346 6.700 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.913 6.301 2.524 1.00 0.00 H new ATOM 452 N GLU A 31 5.618 8.432 4.382 1.00 0.00 N ATOM 453 CA GLU A 31 5.620 8.788 5.795 1.00 0.00 C ATOM 454 C GLU A 31 5.525 10.301 5.958 1.00 0.00 C ATOM 455 O GLU A 31 4.873 10.802 6.874 1.00 0.00 O ATOM 456 CB GLU A 31 6.885 8.264 6.478 1.00 0.00 C ATOM 457 CG GLU A 31 6.867 8.414 7.989 1.00 0.00 C ATOM 458 CD GLU A 31 8.217 8.812 8.552 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.062 7.914 8.760 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.431 10.020 8.786 1.00 0.00 O ATOM 0 H GLU A 31 6.408 7.856 4.090 1.00 0.00 H new ATOM 0 HA GLU A 31 4.753 8.327 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.013 7.211 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.750 8.794 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.126 9.164 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.553 7.473 8.440 1.00 0.00 H new ATOM 467 N ALA A 32 6.174 11.019 5.048 1.00 0.00 N ATOM 468 CA ALA A 32 6.167 12.476 5.065 1.00 0.00 C ATOM 469 C ALA A 32 4.739 13.000 5.076 1.00 0.00 C ATOM 470 O ALA A 32 4.370 13.809 5.928 1.00 0.00 O ATOM 471 CB ALA A 32 6.927 13.024 3.865 1.00 0.00 C ATOM 0 H ALA A 32 6.715 10.612 4.285 1.00 0.00 H new ATOM 0 HA ALA A 32 6.665 12.815 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.913 14.114 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.959 12.674 3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.454 12.678 2.946 1.00 0.00 H new ATOM 477 N LYS A 33 3.928 12.514 4.140 1.00 0.00 N ATOM 478 CA LYS A 33 2.533 12.924 4.075 1.00 0.00 C ATOM 479 C LYS A 33 1.825 12.495 5.351 1.00 0.00 C ATOM 480 O LYS A 33 0.873 13.133 5.799 1.00 0.00 O ATOM 481 CB LYS A 33 1.845 12.304 2.861 1.00 0.00 C ATOM 482 CG LYS A 33 2.287 12.904 1.537 1.00 0.00 C ATOM 483 CD LYS A 33 1.872 14.363 1.418 1.00 0.00 C ATOM 484 CE LYS A 33 3.073 15.272 1.211 1.00 0.00 C ATOM 485 NZ LYS A 33 2.666 16.651 0.822 1.00 0.00 N ATOM 0 H LYS A 33 4.211 11.844 3.425 1.00 0.00 H new ATOM 0 HA LYS A 33 2.486 14.008 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.045 11.232 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.767 12.426 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.370 12.824 1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.854 12.334 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.180 14.478 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.338 14.665 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.660 15.312 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.717 14.852 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.514 17.239 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.127 16.616 -0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.072 17.062 1.571 1.00 0.00 H new ATOM 499 N GLY A 34 2.321 11.409 5.942 1.00 0.00 N ATOM 500 CA GLY A 34 1.759 10.904 7.172 1.00 0.00 C ATOM 501 C GLY A 34 1.004 9.605 6.978 1.00 0.00 C ATOM 502 O GLY A 34 0.003 9.356 7.648 1.00 0.00 O ATOM 0 H GLY A 34 3.109 10.870 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.559 10.750 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.087 11.651 7.594 1.00 0.00 H new ATOM 506 N PHE A 35 1.489 8.774 6.063 1.00 0.00 N ATOM 507 CA PHE A 35 0.858 7.494 5.791 1.00 0.00 C ATOM 508 C PHE A 35 1.636 6.360 6.439 1.00 0.00 C ATOM 509 O PHE A 35 2.820 6.502 6.751 1.00 0.00 O ATOM 510 CB PHE A 35 0.763 7.263 4.287 1.00 0.00 C ATOM 511 CG PHE A 35 0.258 8.455 3.529 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.684 9.305 4.089 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.732 8.727 2.262 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.143 10.403 3.394 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.280 9.828 1.560 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.660 10.665 2.126 1.00 0.00 C ATOM 0 H PHE A 35 2.317 8.966 5.499 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.146 7.513 6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.747 6.991 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.103 6.416 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.062 9.104 5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.465 8.072 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.878 11.057 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.661 10.033 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.018 11.524 1.578 1.00 0.00 H new ATOM 526 N ASP A 36 0.970 5.232 6.630 1.00 0.00 N ATOM 527 CA ASP A 36 1.604 4.068 7.230 1.00 0.00 C ATOM 528 C ASP A 36 2.280 3.224 6.157 1.00 0.00 C ATOM 529 O ASP A 36 1.643 2.384 5.525 1.00 0.00 O ATOM 530 CB ASP A 36 0.568 3.229 7.983 1.00 0.00 C ATOM 531 CG ASP A 36 1.156 2.551 9.206 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.773 1.477 9.050 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.999 3.095 10.318 1.00 0.00 O ATOM 0 H ASP A 36 -0.009 5.098 6.378 1.00 0.00 H new ATOM 0 HA ASP A 36 2.360 4.410 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.261 3.867 8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.159 2.473 7.313 1.00 0.00 H new ATOM 538 N SER A 37 3.570 3.467 5.941 1.00 0.00 N ATOM 539 CA SER A 37 4.319 2.741 4.926 1.00 0.00 C ATOM 540 C SER A 37 4.717 1.362 5.426 1.00 0.00 C ATOM 541 O SER A 37 4.845 1.132 6.630 1.00 0.00 O ATOM 542 CB SER A 37 5.567 3.528 4.523 1.00 0.00 C ATOM 543 OG SER A 37 6.578 3.421 5.511 1.00 0.00 O ATOM 0 H SER A 37 4.115 4.159 6.455 1.00 0.00 H new ATOM 0 HA SER A 37 3.676 2.620 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.944 3.156 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.308 4.576 4.375 1.00 0.00 H new ATOM 0 HG SER A 37 7.114 4.241 5.520 1.00 0.00 H new ATOM 549 N ILE A 38 4.880 0.443 4.487 1.00 0.00 N ATOM 550 CA ILE A 38 5.233 -0.930 4.805 1.00 0.00 C ATOM 551 C ILE A 38 5.999 -1.567 3.649 1.00 0.00 C ATOM 552 O ILE A 38 5.618 -1.423 2.488 1.00 0.00 O ATOM 553 CB ILE A 38 3.960 -1.751 5.118 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.193 -3.250 4.893 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.796 -1.254 4.268 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.360 -4.132 5.799 1.00 0.00 C ATOM 0 H ILE A 38 4.772 0.627 3.490 1.00 0.00 H new ATOM 0 HA ILE A 38 5.875 -0.926 5.686 1.00 0.00 H new ATOM 0 HB ILE A 38 3.714 -1.611 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.968 -3.493 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.248 -3.474 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.904 -1.838 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.607 -0.203 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.043 -1.365 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.575 -5.179 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.602 -3.916 6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.302 -3.936 5.625 1.00 0.00 H new ATOM 568 N VAL A 39 7.081 -2.267 3.972 1.00 0.00 N ATOM 569 CA VAL A 39 7.897 -2.915 2.953 1.00 0.00 C ATOM 570 C VAL A 39 7.796 -4.434 3.045 1.00 0.00 C ATOM 571 O VAL A 39 8.271 -5.040 4.006 1.00 0.00 O ATOM 572 CB VAL A 39 9.377 -2.503 3.067 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.150 -2.955 1.838 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.504 -1.000 3.260 1.00 0.00 C ATOM 0 H VAL A 39 7.412 -2.400 4.928 1.00 0.00 H new ATOM 0 HA VAL A 39 7.510 -2.586 1.989 1.00 0.00 H new ATOM 0 HB VAL A 39 9.804 -2.994 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.194 -2.656 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.090 -4.040 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.721 -2.494 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.557 -0.731 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.060 -0.485 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.986 -0.705 4.172 1.00 0.00 H new ATOM 584 N LEU A 40 7.179 -5.049 2.037 1.00 0.00 N ATOM 585 CA LEU A 40 7.024 -6.501 2.007 1.00 0.00 C ATOM 586 C LEU A 40 7.898 -7.113 0.919 1.00 0.00 C ATOM 587 O LEU A 40 7.813 -6.729 -0.246 1.00 0.00 O ATOM 588 CB LEU A 40 5.550 -6.876 1.779 1.00 0.00 C ATOM 589 CG LEU A 40 5.300 -8.128 0.919 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.101 -9.315 1.441 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.814 -8.459 0.886 1.00 0.00 C ATOM 0 H LEU A 40 6.780 -4.565 1.233 1.00 0.00 H new ATOM 0 HA LEU A 40 7.343 -6.900 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.079 -7.026 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.048 -6.030 1.309 1.00 0.00 H new ATOM 0 HG LEU A 40 5.633 -7.917 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.907 -10.187 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.164 -9.077 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.805 -9.531 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.652 -9.347 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.461 -8.648 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.264 -7.620 0.460 1.00 0.00 H new ATOM 682 N TYR A 46 10.952 -5.874 -3.389 1.00 0.00 N ATOM 683 CA TYR A 46 10.362 -5.254 -2.214 1.00 0.00 C ATOM 684 C TYR A 46 9.278 -4.275 -2.647 1.00 0.00 C ATOM 685 O TYR A 46 9.455 -3.532 -3.611 1.00 0.00 O ATOM 686 CB TYR A 46 11.435 -4.544 -1.386 1.00 0.00 C ATOM 687 CG TYR A 46 12.301 -5.500 -0.599 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.198 -6.342 -1.242 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.211 -5.572 0.788 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.983 -7.226 -0.527 1.00 0.00 C ATOM 691 CE2 TYR A 46 12.993 -6.452 1.509 1.00 0.00 C ATOM 692 CZ TYR A 46 13.877 -7.276 0.847 1.00 0.00 C ATOM 693 OH TYR A 46 14.659 -8.158 1.562 1.00 0.00 O ATOM 0 HA TYR A 46 9.913 -6.026 -1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.066 -3.953 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.954 -3.848 -0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.284 -6.305 -2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.518 -4.928 1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.676 -7.875 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.912 -6.494 2.585 1.00 0.00 H new ATOM 0 HH TYR A 46 14.464 -8.067 2.518 1.00 0.00 H new ATOM 703 N LYS A 47 8.158 -4.280 -1.938 1.00 0.00 N ATOM 704 CA LYS A 47 7.048 -3.390 -2.267 1.00 0.00 C ATOM 705 C LYS A 47 6.787 -2.408 -1.145 1.00 0.00 C ATOM 706 O LYS A 47 7.085 -2.680 0.016 1.00 0.00 O ATOM 707 CB LYS A 47 5.773 -4.186 -2.563 1.00 0.00 C ATOM 708 CG LYS A 47 6.032 -5.556 -3.163 1.00 0.00 C ATOM 709 CD LYS A 47 5.843 -6.657 -2.132 1.00 0.00 C ATOM 710 CE LYS A 47 4.657 -7.541 -2.473 1.00 0.00 C ATOM 711 NZ LYS A 47 3.360 -6.836 -2.283 1.00 0.00 N ATOM 0 H LYS A 47 7.992 -4.886 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 47 7.331 -2.835 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.207 -4.305 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.148 -3.612 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.356 -5.721 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.047 -5.596 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.747 -7.264 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.696 -6.213 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.740 -7.875 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.679 -8.433 -1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.579 -7.518 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.340 -6.394 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.253 -6.103 -3.013 1.00 0.00 H new ATOM 725 N VAL A 48 6.219 -1.266 -1.503 1.00 0.00 N ATOM 726 CA VAL A 48 5.905 -0.234 -0.532 1.00 0.00 C ATOM 727 C VAL A 48 4.426 0.113 -0.566 1.00 0.00 C ATOM 728 O VAL A 48 3.902 0.571 -1.582 1.00 0.00 O ATOM 729 CB VAL A 48 6.757 1.023 -0.775 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.396 2.127 0.211 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.233 0.676 -0.675 1.00 0.00 C ATOM 0 H VAL A 48 5.966 -1.032 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 48 6.142 -0.624 0.458 1.00 0.00 H new ATOM 0 HB VAL A 48 6.549 1.393 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.013 3.004 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.345 2.390 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.571 1.778 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.830 1.571 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.448 0.283 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.481 -0.076 -1.424 1.00 0.00 H new ATOM 741 N GLN A 49 3.753 -0.129 0.553 1.00 0.00 N ATOM 742 CA GLN A 49 2.327 0.134 0.666 1.00 0.00 C ATOM 743 C GLN A 49 2.036 1.159 1.759 1.00 0.00 C ATOM 744 O GLN A 49 2.687 1.172 2.804 1.00 0.00 O ATOM 745 CB GLN A 49 1.589 -1.175 0.956 1.00 0.00 C ATOM 746 CG GLN A 49 0.094 -1.015 1.165 1.00 0.00 C ATOM 747 CD GLN A 49 -0.506 -2.174 1.936 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.870 -2.038 3.104 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.614 -3.326 1.282 1.00 0.00 N ATOM 0 H GLN A 49 4.177 -0.509 1.399 1.00 0.00 H new ATOM 0 HA GLN A 49 1.976 0.550 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.757 -1.864 0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.022 -1.633 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.098 -0.086 1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.399 -0.932 0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.300 -3.394 0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.011 -4.142 1.748 1.00 0.00 H new ATOM 758 N ILE A 50 1.038 2.000 1.512 1.00 0.00 N ATOM 759 CA ILE A 50 0.626 3.020 2.466 1.00 0.00 C ATOM 760 C ILE A 50 -0.894 3.100 2.557 1.00 0.00 C ATOM 761 O ILE A 50 -1.595 2.993 1.556 1.00 0.00 O ATOM 762 CB ILE A 50 1.206 4.408 2.136 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.311 4.640 0.622 1.00 0.00 C ATOM 764 CG2 ILE A 50 2.565 4.544 2.797 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.559 5.861 0.142 1.00 0.00 C ATOM 0 H ILE A 50 0.495 1.993 0.649 1.00 0.00 H new ATOM 0 HA ILE A 50 1.029 2.718 3.433 1.00 0.00 H new ATOM 0 HB ILE A 50 0.529 5.169 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.362 4.741 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.930 3.761 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.984 5.524 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.457 4.438 3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.232 3.768 2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.678 5.961 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.499 5.754 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.955 6.749 0.635 1.00 0.00 H new ATOM 777 N GLY A 51 -1.383 3.293 3.773 1.00 0.00 N ATOM 778 CA GLY A 51 -2.810 3.395 4.009 1.00 0.00 C ATOM 779 C GLY A 51 -3.539 2.081 3.805 1.00 0.00 C ATOM 780 O GLY A 51 -3.891 1.727 2.680 1.00 0.00 O ATOM 0 H GLY A 51 -0.809 3.382 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.980 3.745 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.231 4.145 3.340 1.00 0.00 H new ATOM 784 N ALA A 52 -3.782 1.365 4.898 1.00 0.00 N ATOM 785 CA ALA A 52 -4.490 0.093 4.843 1.00 0.00 C ATOM 786 C ALA A 52 -5.693 0.128 5.778 1.00 0.00 C ATOM 787 O ALA A 52 -5.540 0.203 6.997 1.00 0.00 O ATOM 788 CB ALA A 52 -3.559 -1.051 5.214 1.00 0.00 C ATOM 0 H ALA A 52 -3.497 1.647 5.836 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.841 -0.071 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.104 -1.994 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.723 -1.081 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.182 -0.900 6.225 1.00 0.00 H new ATOM 794 N PHE A 53 -6.891 0.098 5.203 1.00 0.00 N ATOM 795 CA PHE A 53 -8.112 0.153 5.998 1.00 0.00 C ATOM 796 C PHE A 53 -9.143 -0.860 5.515 1.00 0.00 C ATOM 797 O PHE A 53 -8.981 -1.481 4.464 1.00 0.00 O ATOM 798 CB PHE A 53 -8.712 1.562 5.945 1.00 0.00 C ATOM 799 CG PHE A 53 -7.683 2.658 5.929 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.898 2.871 4.808 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.504 3.473 7.035 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.951 3.878 4.789 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.560 4.482 7.023 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.782 4.684 5.899 1.00 0.00 C ATOM 0 H PHE A 53 -7.042 0.036 4.196 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.848 -0.096 7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.335 1.648 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.365 1.702 6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.027 2.243 3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.109 3.318 7.916 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.345 4.034 3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.430 5.112 7.891 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.042 5.471 5.888 1.00 0.00 H new ATOM 814 N SER A 54 -10.212 -1.010 6.293 1.00 0.00 N ATOM 815 CA SER A 54 -11.285 -1.933 5.954 1.00 0.00 C ATOM 816 C SER A 54 -12.213 -1.323 4.905 1.00 0.00 C ATOM 817 O SER A 54 -12.991 -2.031 4.268 1.00 0.00 O ATOM 818 CB SER A 54 -12.084 -2.301 7.205 1.00 0.00 C ATOM 819 OG SER A 54 -12.981 -3.367 6.944 1.00 0.00 O ATOM 0 H SER A 54 -10.356 -0.501 7.165 1.00 0.00 H new ATOM 0 HA SER A 54 -10.838 -2.836 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.401 -2.585 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.640 -1.431 7.554 1.00 0.00 H new ATOM 0 HG SER A 54 -13.268 -3.331 6.008 1.00 0.00 H new ATOM 825 N SER A 55 -12.125 -0.004 4.730 1.00 0.00 N ATOM 826 CA SER A 55 -12.956 0.696 3.756 1.00 0.00 C ATOM 827 C SER A 55 -12.103 1.301 2.642 1.00 0.00 C ATOM 828 O SER A 55 -11.092 1.954 2.903 1.00 0.00 O ATOM 829 CB SER A 55 -13.770 1.793 4.444 1.00 0.00 C ATOM 830 OG SER A 55 -15.078 1.873 3.905 1.00 0.00 O ATOM 0 H SER A 55 -11.487 0.598 5.250 1.00 0.00 H new ATOM 0 HA SER A 55 -13.638 -0.029 3.312 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.826 1.592 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.266 2.752 4.326 1.00 0.00 H new ATOM 0 HG SER A 55 -15.578 2.581 4.363 1.00 0.00 H new ATOM 836 N LYS A 56 -12.520 1.074 1.400 1.00 0.00 N ATOM 837 CA LYS A 56 -11.797 1.590 0.243 1.00 0.00 C ATOM 838 C LYS A 56 -11.683 3.109 0.290 1.00 0.00 C ATOM 839 O LYS A 56 -10.666 3.675 -0.111 1.00 0.00 O ATOM 840 CB LYS A 56 -12.485 1.173 -1.050 1.00 0.00 C ATOM 841 CG LYS A 56 -11.702 1.572 -2.287 1.00 0.00 C ATOM 842 CD LYS A 56 -11.792 0.508 -3.365 1.00 0.00 C ATOM 843 CE LYS A 56 -13.219 0.326 -3.853 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.302 -0.656 -4.971 1.00 0.00 N ATOM 0 H LYS A 56 -13.355 0.536 1.169 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.793 1.165 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.627 0.092 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.476 1.625 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.085 2.517 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.658 1.736 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.152 0.784 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.417 -0.438 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.845 -0.010 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.615 1.286 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.292 -0.752 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.725 -0.323 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.948 -1.579 -4.649 1.00 0.00 H new ATOM 858 N ASP A 57 -12.734 3.767 0.776 1.00 0.00 N ATOM 859 CA ASP A 57 -12.750 5.225 0.868 1.00 0.00 C ATOM 860 C ASP A 57 -11.452 5.749 1.474 1.00 0.00 C ATOM 861 O ASP A 57 -10.982 6.832 1.123 1.00 0.00 O ATOM 862 CB ASP A 57 -13.944 5.693 1.703 1.00 0.00 C ATOM 863 CG ASP A 57 -14.328 7.129 1.406 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.489 8.028 1.628 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.470 7.356 0.956 1.00 0.00 O ATOM 0 H ASP A 57 -13.584 3.314 1.112 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.844 5.625 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.797 5.044 1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.704 5.595 2.762 1.00 0.00 H new ATOM 870 N ASN A 58 -10.878 4.969 2.379 1.00 0.00 N ATOM 871 CA ASN A 58 -9.631 5.346 3.033 1.00 0.00 C ATOM 872 C ASN A 58 -8.466 5.243 2.056 1.00 0.00 C ATOM 873 O ASN A 58 -7.679 6.178 1.909 1.00 0.00 O ATOM 874 CB ASN A 58 -9.375 4.459 4.250 1.00 0.00 C ATOM 875 CG ASN A 58 -10.513 4.508 5.251 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.643 4.124 4.945 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.221 4.983 6.456 1.00 0.00 N ATOM 0 H ASN A 58 -11.256 4.070 2.678 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.718 6.380 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.228 3.430 3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.452 4.773 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.946 5.041 7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.271 5.290 6.667 1.00 0.00 H new ATOM 884 N ALA A 59 -8.370 4.102 1.383 1.00 0.00 N ATOM 885 CA ALA A 59 -7.310 3.871 0.408 1.00 0.00 C ATOM 886 C ALA A 59 -7.326 4.937 -0.679 1.00 0.00 C ATOM 887 O ALA A 59 -6.280 5.442 -1.074 1.00 0.00 O ATOM 888 CB ALA A 59 -7.460 2.490 -0.206 1.00 0.00 C ATOM 0 H ALA A 59 -9.015 3.320 1.495 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.351 3.929 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.664 2.327 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.397 1.735 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.427 2.416 -0.704 1.00 0.00 H new ATOM 894 N ASP A 60 -8.517 5.272 -1.163 1.00 0.00 N ATOM 895 CA ASP A 60 -8.659 6.281 -2.207 1.00 0.00 C ATOM 896 C ASP A 60 -8.077 7.616 -1.754 1.00 0.00 C ATOM 897 O ASP A 60 -7.266 8.221 -2.456 1.00 0.00 O ATOM 898 CB ASP A 60 -10.130 6.453 -2.584 1.00 0.00 C ATOM 899 CG ASP A 60 -10.654 5.300 -3.417 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.212 4.153 -3.189 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.507 5.542 -4.297 1.00 0.00 O ATOM 0 H ASP A 60 -9.396 4.861 -0.850 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.106 5.942 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.727 6.542 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.253 7.383 -3.139 1.00 0.00 H new ATOM 906 N THR A 61 -8.494 8.067 -0.576 1.00 0.00 N ATOM 907 CA THR A 61 -8.013 9.331 -0.028 1.00 0.00 C ATOM 908 C THR A 61 -6.494 9.321 0.107 1.00 0.00 C ATOM 909 O THR A 61 -5.832 10.324 -0.153 1.00 0.00 O ATOM 910 CB THR A 61 -8.658 9.607 1.333 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.252 8.431 1.856 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.725 10.676 1.282 1.00 0.00 C ATOM 0 H THR A 61 -9.163 7.577 0.018 1.00 0.00 H new ATOM 0 HA THR A 61 -8.294 10.126 -0.719 1.00 0.00 H new ATOM 0 HB THR A 61 -7.846 9.956 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.126 8.291 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.141 10.823 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.287 11.610 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.517 10.367 0.600 1.00 0.00 H new ATOM 920 N LEU A 62 -5.948 8.176 0.504 1.00 0.00 N ATOM 921 CA LEU A 62 -4.504 8.023 0.665 1.00 0.00 C ATOM 922 C LEU A 62 -3.818 8.089 -0.671 1.00 0.00 C ATOM 923 O LEU A 62 -2.855 8.829 -0.868 1.00 0.00 O ATOM 924 CB LEU A 62 -4.185 6.653 1.247 1.00 0.00 C ATOM 925 CG LEU A 62 -2.928 6.592 2.112 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.778 7.308 1.426 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.196 7.195 3.484 1.00 0.00 C ATOM 0 H LEU A 62 -6.485 7.337 0.721 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.161 8.823 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.035 6.323 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.077 5.943 0.427 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.650 5.547 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.890 7.256 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.572 6.831 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.045 8.352 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.290 7.143 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.498 8.236 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.992 6.638 3.977 1.00 0.00 H new ATOM 939 N ALA A 63 -4.312 7.264 -1.578 1.00 0.00 N ATOM 940 CA ALA A 63 -3.746 7.164 -2.893 1.00 0.00 C ATOM 941 C ALA A 63 -3.645 8.534 -3.555 1.00 0.00 C ATOM 942 O ALA A 63 -2.555 9.000 -3.886 1.00 0.00 O ATOM 943 CB ALA A 63 -4.554 6.206 -3.755 1.00 0.00 C ATOM 0 H ALA A 63 -5.112 6.652 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.736 6.766 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.108 6.145 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.556 5.217 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.578 6.568 -3.840 1.00 0.00 H new ATOM 949 N ALA A 64 -4.797 9.181 -3.733 1.00 0.00 N ATOM 950 CA ALA A 64 -4.844 10.505 -4.344 1.00 0.00 C ATOM 951 C ALA A 64 -3.878 11.450 -3.642 1.00 0.00 C ATOM 952 O ALA A 64 -3.241 12.291 -4.278 1.00 0.00 O ATOM 953 CB ALA A 64 -6.259 11.060 -4.296 1.00 0.00 C ATOM 0 H ALA A 64 -5.707 8.809 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.542 10.416 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.278 12.048 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.930 10.394 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.585 11.136 -3.259 1.00 0.00 H new ATOM 959 N ARG A 65 -3.761 11.292 -2.327 1.00 0.00 N ATOM 960 CA ARG A 65 -2.858 12.114 -1.538 1.00 0.00 C ATOM 961 C ARG A 65 -1.417 11.832 -1.933 1.00 0.00 C ATOM 962 O ARG A 65 -0.600 12.746 -2.037 1.00 0.00 O ATOM 963 CB ARG A 65 -3.058 11.830 -0.049 1.00 0.00 C ATOM 964 CG ARG A 65 -2.795 13.027 0.844 1.00 0.00 C ATOM 965 CD ARG A 65 -3.270 12.768 2.263 1.00 0.00 C ATOM 966 NE ARG A 65 -4.085 13.866 2.778 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.825 13.786 3.884 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.853 12.664 4.590 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.538 14.831 4.280 1.00 0.00 N ATOM 0 H ARG A 65 -4.282 10.601 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.078 13.164 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.080 11.486 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.398 11.015 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.729 13.252 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.304 13.903 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.849 11.845 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.407 12.622 2.913 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.088 14.745 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.307 11.857 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.421 12.608 5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.520 15.695 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.105 14.771 5.126 1.00 0.00 H new ATOM 983 N ALA A 66 -1.116 10.558 -2.170 1.00 0.00 N ATOM 984 CA ALA A 66 0.220 10.156 -2.574 1.00 0.00 C ATOM 985 C ALA A 66 0.540 10.748 -3.933 1.00 0.00 C ATOM 986 O ALA A 66 1.641 11.246 -4.160 1.00 0.00 O ATOM 987 CB ALA A 66 0.344 8.640 -2.588 1.00 0.00 C ATOM 0 H ALA A 66 -1.782 9.790 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 66 0.943 10.536 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.352 8.360 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.146 8.249 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.377 8.222 -3.291 1.00 0.00 H new ATOM 993 N LYS A 67 -0.441 10.720 -4.828 1.00 0.00 N ATOM 994 CA LYS A 67 -0.267 11.283 -6.158 1.00 0.00 C ATOM 995 C LYS A 67 0.013 12.774 -6.048 1.00 0.00 C ATOM 996 O LYS A 67 0.950 13.291 -6.658 1.00 0.00 O ATOM 997 CB LYS A 67 -1.508 11.034 -7.015 1.00 0.00 C ATOM 998 CG LYS A 67 -1.364 9.859 -7.968 1.00 0.00 C ATOM 999 CD LYS A 67 -2.605 8.981 -7.967 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.322 7.615 -8.572 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.292 7.663 -10.060 1.00 0.00 N ATOM 0 H LYS A 67 -1.361 10.315 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 67 0.580 10.795 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.362 10.858 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.728 11.933 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.180 10.229 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.496 9.264 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.965 8.860 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.399 9.472 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.366 7.245 -8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.086 6.908 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.096 6.713 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.212 7.992 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.546 8.318 -10.371 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.794 13.452 -5.241 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.626 14.880 -5.016 1.00 0.00 C ATOM 1017 C ASN A 68 0.648 15.128 -4.213 1.00 0.00 C ATOM 1018 O ASN A 68 1.245 16.203 -4.284 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.836 15.444 -4.270 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.044 16.921 -4.533 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.110 17.637 -4.896 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -3.273 17.387 -4.350 1.00 0.00 N ATOM 0 H ASN A 68 -1.572 13.034 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.545 15.384 -5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.730 14.896 -4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.706 15.284 -3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.473 18.374 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.017 16.758 -4.049 1.00 0.00 H new ATOM 1029 N ALA A 69 1.053 14.116 -3.452 1.00 0.00 N ATOM 1030 CA ALA A 69 2.252 14.193 -2.628 1.00 0.00 C ATOM 1031 C ALA A 69 3.513 14.016 -3.467 1.00 0.00 C ATOM 1032 O ALA A 69 4.600 14.429 -3.062 1.00 0.00 O ATOM 1033 CB ALA A 69 2.198 13.131 -1.541 1.00 0.00 C ATOM 0 H ALA A 69 0.562 13.224 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 69 2.288 15.182 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.097 13.192 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.320 13.294 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.138 12.144 -1.999 1.00 0.00 H new ATOM 1039 N GLY A 70 3.364 13.392 -4.631 1.00 0.00 N ATOM 1040 CA GLY A 70 4.501 13.161 -5.502 1.00 0.00 C ATOM 1041 C GLY A 70 4.845 11.690 -5.583 1.00 0.00 C ATOM 1042 O GLY A 70 5.980 11.322 -5.887 1.00 0.00 O ATOM 0 H GLY A 70 2.475 13.042 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.280 13.540 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.363 13.718 -5.133 1.00 0.00 H new ATOM 1046 N PHE A 71 3.858 10.848 -5.293 1.00 0.00 N ATOM 1047 CA PHE A 71 4.038 9.408 -5.311 1.00 0.00 C ATOM 1048 C PHE A 71 2.928 8.760 -6.128 1.00 0.00 C ATOM 1049 O PHE A 71 1.805 9.255 -6.158 1.00 0.00 O ATOM 1050 CB PHE A 71 4.004 8.866 -3.881 1.00 0.00 C ATOM 1051 CG PHE A 71 4.514 9.842 -2.854 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.746 10.454 -3.015 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.753 10.152 -1.735 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.214 11.356 -2.079 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.218 11.055 -0.796 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.450 11.657 -0.968 1.00 0.00 C ATOM 0 H PHE A 71 2.916 11.147 -5.040 1.00 0.00 H new ATOM 0 HA PHE A 71 5.002 9.174 -5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.980 8.590 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.601 7.955 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.348 10.224 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.790 9.684 -1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.177 11.826 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.619 11.289 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.815 12.361 -0.235 1.00 0.00 H new ATOM 1066 N ASP A 72 3.233 7.651 -6.784 1.00 0.00 N ATOM 1067 CA ASP A 72 2.235 6.958 -7.589 1.00 0.00 C ATOM 1068 C ASP A 72 1.518 5.895 -6.764 1.00 0.00 C ATOM 1069 O ASP A 72 1.769 4.702 -6.928 1.00 0.00 O ATOM 1070 CB ASP A 72 2.891 6.315 -8.813 1.00 0.00 C ATOM 1071 CG ASP A 72 1.875 5.752 -9.786 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.915 5.097 -9.330 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.038 5.967 -11.006 1.00 0.00 O ATOM 0 H ASP A 72 4.154 7.213 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 72 1.501 7.691 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.506 7.056 -9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.558 5.517 -8.487 1.00 0.00 H new ATOM 1078 N ALA A 73 0.625 6.330 -5.874 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.118 5.399 -5.033 1.00 0.00 C ATOM 1080 C ALA A 73 -1.384 4.900 -5.720 1.00 0.00 C ATOM 1081 O ALA A 73 -2.084 5.657 -6.391 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.475 6.051 -3.708 1.00 0.00 C ATOM 0 H ALA A 73 0.402 7.313 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 73 0.528 4.539 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.029 5.343 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.438 6.346 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.090 6.932 -3.890 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.673 3.618 -5.528 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.858 2.998 -6.104 1.00 0.00 C ATOM 1090 C ILE A 74 -3.576 2.166 -5.047 1.00 0.00 C ATOM 1091 O ILE A 74 -2.947 1.654 -4.124 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.505 2.099 -7.304 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.524 1.004 -6.883 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.924 2.934 -8.437 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -2.159 -0.365 -6.765 1.00 0.00 C ATOM 0 H ILE A 74 -1.097 2.985 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.509 3.798 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.417 1.621 -7.661 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.711 0.957 -7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.081 1.274 -5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.679 2.286 -9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.656 3.678 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.021 3.437 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.404 -1.091 -6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.953 -0.335 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.578 -0.656 -7.728 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.887 2.026 -5.185 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.666 1.248 -4.229 1.00 0.00 C ATOM 1109 C VAL A 75 -5.991 -0.132 -4.786 1.00 0.00 C ATOM 1110 O VAL A 75 -6.370 -0.270 -5.949 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.974 1.967 -3.838 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.811 1.103 -2.903 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.664 3.311 -3.197 1.00 0.00 C ATOM 0 H VAL A 75 -5.431 2.437 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.052 1.139 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.556 2.140 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.728 1.632 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.062 0.166 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.243 0.892 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.595 3.808 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.061 3.157 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.113 3.932 -3.903 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.840 -1.149 -3.946 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.115 -2.519 -4.356 1.00 0.00 C ATOM 1125 C ILE A 76 -6.840 -3.290 -3.257 1.00 0.00 C ATOM 1126 O ILE A 76 -6.518 -3.158 -2.071 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.820 -3.267 -4.721 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.806 -3.166 -3.581 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.235 -2.712 -6.010 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.693 -4.188 -3.671 1.00 0.00 C ATOM 0 H ILE A 76 -5.529 -1.051 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.754 -2.461 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.057 -4.320 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.371 -2.166 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.326 -3.289 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.320 -3.250 -6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.956 -2.834 -6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.010 -1.653 -5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.011 -4.058 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.117 -5.192 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.148 -4.051 -4.605 1.00 0.00 H new