USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=12 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+ 178:sc= 0 (180deg=-0.00544) USER MOD Single : A 13 GLN : amide:sc= -0.755 K(o=-0.75,f=-1.5!) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.134 (180deg=-0.629) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= 0.777 (180deg=0.18) USER MOD Single : A 22 ASN : amide:sc= -0.742 K(o=-0.74,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= -17.2! C(o=-17!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -162:sc= -0.408 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.157 (180deg=-0.89) USER MOD Single : A 49 GLN : amide:sc= -5.88! C(o=-5.9!,f=-5.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0195 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= -0.739 K(o=-0.74,f=-4.2!) USER MOD Single : A 61 THR OG1 : rot 95:sc= 1.26 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) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.124 -6.399 1.592 1.00 0.00 N ATOM 121 CA LEU A 9 -8.507 -5.295 2.308 1.00 0.00 C ATOM 122 C LEU A 9 -8.149 -4.189 1.337 1.00 0.00 C ATOM 123 O LEU A 9 -7.643 -4.448 0.246 1.00 0.00 O ATOM 124 CB LEU A 9 -7.256 -5.767 3.052 1.00 0.00 C ATOM 125 CG LEU A 9 -7.505 -6.353 4.445 1.00 0.00 C ATOM 126 CD1 LEU A 9 -8.348 -5.401 5.284 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.174 -7.715 4.342 1.00 0.00 C ATOM 0 HA LEU A 9 -9.219 -4.913 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.754 -6.519 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.571 -4.925 3.147 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.542 -6.483 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.514 -5.835 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.826 -4.450 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.307 -5.236 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.342 -8.114 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.129 -7.613 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.531 -8.395 3.783 1.00 0.00 H new ATOM 139 N TYR A 10 -8.404 -2.954 1.734 1.00 0.00 N ATOM 140 CA TYR A 10 -8.096 -1.819 0.889 1.00 0.00 C ATOM 141 C TYR A 10 -6.807 -1.163 1.344 1.00 0.00 C ATOM 142 O TYR A 10 -6.764 -0.487 2.371 1.00 0.00 O ATOM 143 CB TYR A 10 -9.252 -0.820 0.902 1.00 0.00 C ATOM 144 CG TYR A 10 -10.592 -1.465 0.630 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.925 -1.900 -0.645 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.520 -1.648 1.645 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.143 -2.497 -0.904 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.743 -2.243 1.397 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.049 -2.667 0.120 1.00 0.00 C ATOM 150 OH TYR A 10 -14.264 -3.261 -0.132 1.00 0.00 O ATOM 0 H TYR A 10 -8.822 -2.715 2.633 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.959 -2.166 -0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.284 -0.322 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.067 -0.049 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.218 -1.769 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.283 -1.320 2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.384 -2.829 -1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.455 -2.375 2.198 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.785 -3.306 0.697 1.00 0.00 H new ATOM 160 N LYS A 11 -5.756 -1.365 0.563 1.00 0.00 N ATOM 161 CA LYS A 11 -4.453 -0.789 0.874 1.00 0.00 C ATOM 162 C LYS A 11 -3.931 0.013 -0.310 1.00 0.00 C ATOM 163 O LYS A 11 -4.283 -0.267 -1.457 1.00 0.00 O ATOM 164 CB LYS A 11 -3.457 -1.893 1.234 1.00 0.00 C ATOM 165 CG LYS A 11 -3.997 -2.897 2.238 1.00 0.00 C ATOM 166 CD LYS A 11 -3.005 -4.021 2.496 1.00 0.00 C ATOM 167 CE LYS A 11 -3.650 -5.386 2.316 1.00 0.00 C ATOM 168 NZ LYS A 11 -4.029 -5.998 3.620 1.00 0.00 N ATOM 0 H LYS A 11 -5.778 -1.923 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.566 -0.122 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.168 -2.421 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.553 -1.437 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.224 -2.389 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.933 -3.315 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.159 -3.925 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.611 -3.934 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.537 -5.289 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.960 -6.047 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.496 -6.912 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.175 -6.146 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.681 -5.364 4.125 1.00 0.00 H new ATOM 182 N VAL A 12 -3.092 1.012 -0.041 1.00 0.00 N ATOM 183 CA VAL A 12 -2.542 1.830 -1.115 1.00 0.00 C ATOM 184 C VAL A 12 -1.082 1.460 -1.365 1.00 0.00 C ATOM 185 O VAL A 12 -0.341 1.185 -0.430 1.00 0.00 O ATOM 186 CB VAL A 12 -2.656 3.350 -0.825 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.011 4.109 -2.086 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.692 3.655 0.249 1.00 0.00 C ATOM 0 H VAL A 12 -2.783 1.270 0.896 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.135 1.623 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.681 3.672 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.086 5.173 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.236 3.950 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.966 3.751 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.736 4.731 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.669 3.299 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.413 3.154 1.176 1.00 0.00 H new ATOM 198 N GLN A 13 -0.679 1.428 -2.631 1.00 0.00 N ATOM 199 CA GLN A 13 0.691 1.067 -2.989 1.00 0.00 C ATOM 200 C GLN A 13 1.277 2.050 -3.997 1.00 0.00 C ATOM 201 O GLN A 13 0.638 2.384 -4.993 1.00 0.00 O ATOM 202 CB GLN A 13 0.733 -0.351 -3.561 1.00 0.00 C ATOM 203 CG GLN A 13 2.142 -0.885 -3.765 1.00 0.00 C ATOM 204 CD GLN A 13 2.175 -2.389 -3.942 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.318 -3.107 -3.427 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.170 -2.877 -4.674 1.00 0.00 N ATOM 0 H GLN A 13 -1.279 1.647 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 13 1.295 1.108 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.194 -1.020 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.207 -0.364 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.583 -0.410 -4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.758 -0.610 -2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.859 -2.246 -5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.245 -3.883 -4.827 1.00 0.00 H new ATOM 215 N ILE A 14 2.491 2.521 -3.724 1.00 0.00 N ATOM 216 CA ILE A 14 3.141 3.478 -4.610 1.00 0.00 C ATOM 217 C ILE A 14 4.269 2.855 -5.434 1.00 0.00 C ATOM 218 O ILE A 14 4.826 3.517 -6.310 1.00 0.00 O ATOM 219 CB ILE A 14 3.702 4.685 -3.833 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.660 4.211 -2.730 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.564 5.524 -3.270 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.185 4.483 -1.320 1.00 0.00 C ATOM 0 H ILE A 14 3.039 2.258 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 14 2.360 3.813 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 14 4.272 5.316 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.821 3.139 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.626 4.696 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.974 6.373 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.940 5.885 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.962 4.915 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.925 4.114 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.052 5.556 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.235 3.975 -1.152 1.00 0.00 H new ATOM 234 N GLY A 15 4.603 1.587 -5.181 1.00 0.00 N ATOM 235 CA GLY A 15 5.659 0.963 -5.965 1.00 0.00 C ATOM 236 C GLY A 15 6.266 -0.277 -5.335 1.00 0.00 C ATOM 237 O GLY A 15 6.002 -0.603 -4.180 1.00 0.00 O ATOM 0 H GLY A 15 4.175 0.996 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.259 0.698 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.450 1.694 -6.131 1.00 0.00 H new ATOM 241 N ALA A 16 7.118 -0.945 -6.117 1.00 0.00 N ATOM 242 CA ALA A 16 7.830 -2.141 -5.679 1.00 0.00 C ATOM 243 C ALA A 16 9.160 -2.236 -6.423 1.00 0.00 C ATOM 244 O ALA A 16 9.230 -1.922 -7.611 1.00 0.00 O ATOM 245 CB ALA A 16 6.992 -3.393 -5.907 1.00 0.00 C ATOM 0 H ALA A 16 7.332 -0.668 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 16 8.021 -2.068 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.548 -4.269 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.062 -3.316 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.766 -3.491 -6.969 1.00 0.00 H new ATOM 251 N PHE A 17 10.216 -2.659 -5.736 1.00 0.00 N ATOM 252 CA PHE A 17 11.527 -2.772 -6.368 1.00 0.00 C ATOM 253 C PHE A 17 12.322 -3.934 -5.791 1.00 0.00 C ATOM 254 O PHE A 17 12.165 -4.289 -4.626 1.00 0.00 O ATOM 255 CB PHE A 17 12.320 -1.474 -6.195 1.00 0.00 C ATOM 256 CG PHE A 17 11.484 -0.231 -6.316 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.773 0.247 -5.229 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.413 0.458 -7.517 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.005 1.391 -5.337 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.646 1.600 -7.629 1.00 0.00 C ATOM 261 CZ PHE A 17 9.940 2.069 -6.538 1.00 0.00 C ATOM 0 H PHE A 17 10.192 -2.927 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 17 11.364 -2.957 -7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.803 -1.482 -5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.113 -1.441 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.819 -0.279 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.963 0.098 -8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.455 1.755 -4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.598 2.127 -8.570 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.340 2.963 -6.624 1.00 0.00 H new ATOM 271 N LYS A 18 13.185 -4.515 -6.616 1.00 0.00 N ATOM 272 CA LYS A 18 14.014 -5.635 -6.190 1.00 0.00 C ATOM 273 C LYS A 18 14.939 -5.239 -5.038 1.00 0.00 C ATOM 274 O LYS A 18 15.530 -6.100 -4.390 1.00 0.00 O ATOM 275 CB LYS A 18 14.844 -6.156 -7.366 1.00 0.00 C ATOM 276 CG LYS A 18 15.574 -5.062 -8.128 1.00 0.00 C ATOM 277 CD LYS A 18 14.962 -4.830 -9.500 1.00 0.00 C ATOM 278 CE LYS A 18 15.143 -6.042 -10.401 1.00 0.00 C ATOM 279 NZ LYS A 18 16.541 -6.552 -10.371 1.00 0.00 N ATOM 0 H LYS A 18 13.329 -4.229 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 18 13.350 -6.424 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.573 -6.877 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.189 -6.691 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.543 -4.136 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.624 -5.334 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.900 -4.609 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.424 -3.958 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.461 -6.833 -10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.875 -5.777 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.691 -7.201 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.203 -5.754 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.707 -7.058 -9.478 1.00 0.00 H new ATOM 293 N VAL A 19 15.069 -3.937 -4.795 1.00 0.00 N ATOM 294 CA VAL A 19 15.932 -3.449 -3.729 1.00 0.00 C ATOM 295 C VAL A 19 15.132 -2.939 -2.535 1.00 0.00 C ATOM 296 O VAL A 19 14.229 -2.114 -2.681 1.00 0.00 O ATOM 297 CB VAL A 19 16.851 -2.319 -4.228 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.887 -1.963 -3.172 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.525 -2.716 -5.533 1.00 0.00 C ATOM 0 H VAL A 19 14.589 -3.206 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 19 16.536 -4.299 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 19 16.240 -1.436 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.526 -1.163 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.382 -1.632 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.496 -2.839 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.171 -1.905 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.123 -3.614 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.765 -2.914 -6.289 1.00 0.00 H new ATOM 309 N LYS A 20 15.482 -3.435 -1.352 1.00 0.00 N ATOM 310 CA LYS A 20 14.820 -3.040 -0.118 1.00 0.00 C ATOM 311 C LYS A 20 15.156 -1.600 0.228 1.00 0.00 C ATOM 312 O LYS A 20 14.287 -0.838 0.647 1.00 0.00 O ATOM 313 CB LYS A 20 15.242 -3.962 1.026 1.00 0.00 C ATOM 314 CG LYS A 20 14.473 -3.719 2.316 1.00 0.00 C ATOM 315 CD LYS A 20 15.349 -3.063 3.372 1.00 0.00 C ATOM 316 CE LYS A 20 14.528 -2.195 4.313 1.00 0.00 C ATOM 317 NZ LYS A 20 15.378 -1.226 5.059 1.00 0.00 N ATOM 0 H LYS A 20 16.229 -4.118 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 20 13.743 -3.123 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.101 -4.998 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.307 -3.828 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.610 -3.085 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.090 -4.666 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.869 -3.831 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.113 -2.455 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.775 -1.652 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.995 -2.830 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.792 -0.432 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.809 -1.701 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.127 -0.868 4.433 1.00 0.00 H new ATOM 331 N ALA A 21 16.418 -1.218 0.040 1.00 0.00 N ATOM 332 CA ALA A 21 16.846 0.145 0.321 1.00 0.00 C ATOM 333 C ALA A 21 16.006 1.128 -0.481 1.00 0.00 C ATOM 334 O ALA A 21 15.735 2.244 -0.038 1.00 0.00 O ATOM 335 CB ALA A 21 18.324 0.319 0.000 1.00 0.00 C ATOM 0 H ALA A 21 17.156 -1.832 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 21 16.704 0.346 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.625 1.344 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.912 -0.368 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.495 0.106 -1.055 1.00 0.00 H new ATOM 341 N ASN A 22 15.569 0.685 -1.656 1.00 0.00 N ATOM 342 CA ASN A 22 14.730 1.502 -2.513 1.00 0.00 C ATOM 343 C ASN A 22 13.304 1.482 -1.988 1.00 0.00 C ATOM 344 O ASN A 22 12.589 2.483 -2.053 1.00 0.00 O ATOM 345 CB ASN A 22 14.772 0.990 -3.954 1.00 0.00 C ATOM 346 CG ASN A 22 16.107 1.256 -4.623 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.929 2.016 -4.114 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.328 0.627 -5.772 1.00 0.00 N ATOM 0 H ASN A 22 15.785 -0.238 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 22 15.104 2.526 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.572 -0.081 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.979 1.467 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.208 0.766 -6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.618 0.005 -6.158 1.00 0.00 H new ATOM 355 N ALA A 23 12.901 0.333 -1.446 1.00 0.00 N ATOM 356 CA ALA A 23 11.563 0.192 -0.889 1.00 0.00 C ATOM 357 C ALA A 23 11.432 0.981 0.412 1.00 0.00 C ATOM 358 O ALA A 23 10.331 1.354 0.821 1.00 0.00 O ATOM 359 CB ALA A 23 11.234 -1.277 -0.659 1.00 0.00 C ATOM 0 H ALA A 23 13.479 -0.505 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 23 10.850 0.598 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.231 -1.364 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.281 -1.813 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.954 -1.707 0.037 1.00 0.00 H new ATOM 365 N ASP A 24 12.568 1.239 1.058 1.00 0.00 N ATOM 366 CA ASP A 24 12.594 1.986 2.310 1.00 0.00 C ATOM 367 C ASP A 24 12.521 3.485 2.040 1.00 0.00 C ATOM 368 O ASP A 24 11.849 4.223 2.761 1.00 0.00 O ATOM 369 CB ASP A 24 13.862 1.658 3.099 1.00 0.00 C ATOM 370 CG ASP A 24 13.606 1.566 4.591 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.198 0.483 5.058 1.00 0.00 O ATOM 372 OD2 ASP A 24 13.816 2.578 5.293 1.00 0.00 O ATOM 0 H ASP A 24 13.486 0.939 0.731 1.00 0.00 H new ATOM 0 HA ASP A 24 11.726 1.695 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.273 0.713 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.614 2.424 2.908 1.00 0.00 H new ATOM 377 N SER A 25 13.202 3.927 0.987 1.00 0.00 N ATOM 378 CA SER A 25 13.194 5.335 0.615 1.00 0.00 C ATOM 379 C SER A 25 11.783 5.754 0.227 1.00 0.00 C ATOM 380 O SER A 25 11.336 6.858 0.540 1.00 0.00 O ATOM 381 CB SER A 25 14.158 5.588 -0.544 1.00 0.00 C ATOM 382 OG SER A 25 14.510 6.959 -0.626 1.00 0.00 O ATOM 0 H SER A 25 13.764 3.332 0.379 1.00 0.00 H new ATOM 0 HA SER A 25 13.522 5.928 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.057 4.986 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.697 5.271 -1.480 1.00 0.00 H new ATOM 0 HG SER A 25 15.128 7.094 -1.374 1.00 0.00 H new ATOM 388 N LEU A 26 11.086 4.846 -0.444 1.00 0.00 N ATOM 389 CA LEU A 26 9.716 5.082 -0.876 1.00 0.00 C ATOM 390 C LEU A 26 8.789 5.171 0.335 1.00 0.00 C ATOM 391 O LEU A 26 7.962 6.074 0.437 1.00 0.00 O ATOM 392 CB LEU A 26 9.273 3.957 -1.812 1.00 0.00 C ATOM 393 CG LEU A 26 7.930 4.164 -2.518 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.920 5.468 -3.303 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.635 2.989 -3.440 1.00 0.00 C ATOM 0 H LEU A 26 11.453 3.930 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 26 9.666 6.029 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.043 3.818 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.221 3.032 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 26 7.151 4.222 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.955 5.590 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.089 6.303 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.709 5.446 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.678 3.147 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.423 2.907 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.593 2.070 -2.856 1.00 0.00 H new ATOM 407 N ALA A 27 8.944 4.234 1.264 1.00 0.00 N ATOM 408 CA ALA A 27 8.127 4.226 2.472 1.00 0.00 C ATOM 409 C ALA A 27 8.317 5.525 3.254 1.00 0.00 C ATOM 410 O ALA A 27 7.429 5.955 3.991 1.00 0.00 O ATOM 411 CB ALA A 27 8.480 3.027 3.338 1.00 0.00 C ATOM 0 H ALA A 27 9.623 3.475 1.205 1.00 0.00 H new ATOM 0 HA ALA A 27 7.079 4.149 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.863 3.033 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.299 2.109 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.532 3.079 3.620 1.00 0.00 H new ATOM 417 N SER A 28 9.483 6.141 3.081 1.00 0.00 N ATOM 418 CA SER A 28 9.802 7.392 3.761 1.00 0.00 C ATOM 419 C SER A 28 9.058 8.567 3.133 1.00 0.00 C ATOM 420 O SER A 28 8.559 9.446 3.838 1.00 0.00 O ATOM 421 CB SER A 28 11.310 7.647 3.721 1.00 0.00 C ATOM 422 OG SER A 28 11.765 8.212 4.938 1.00 0.00 O ATOM 0 H SER A 28 10.225 5.793 2.474 1.00 0.00 H new ATOM 0 HA SER A 28 9.481 7.301 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.835 6.711 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.547 8.317 2.895 1.00 0.00 H new ATOM 0 HG SER A 28 12.732 8.364 4.887 1.00 0.00 H new ATOM 428 N ASN A 29 8.986 8.580 1.805 1.00 0.00 N ATOM 429 CA ASN A 29 8.299 9.654 1.094 1.00 0.00 C ATOM 430 C ASN A 29 6.841 9.734 1.520 1.00 0.00 C ATOM 431 O ASN A 29 6.333 10.810 1.836 1.00 0.00 O ATOM 432 CB ASN A 29 8.420 9.458 -0.425 1.00 0.00 C ATOM 433 CG ASN A 29 7.468 8.421 -0.998 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.892 7.348 -1.417 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.181 8.743 -1.043 1.00 0.00 N ATOM 0 H ASN A 29 9.392 7.864 1.203 1.00 0.00 H new ATOM 0 HA ASN A 29 8.776 10.599 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.239 10.413 -0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.443 9.166 -0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.505 8.088 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.868 9.645 -0.684 1.00 0.00 H new ATOM 442 N ALA A 30 6.177 8.589 1.537 1.00 0.00 N ATOM 443 CA ALA A 30 4.780 8.530 1.937 1.00 0.00 C ATOM 444 C ALA A 30 4.627 8.957 3.390 1.00 0.00 C ATOM 445 O ALA A 30 3.667 9.635 3.752 1.00 0.00 O ATOM 446 CB ALA A 30 4.227 7.130 1.732 1.00 0.00 C ATOM 0 H ALA A 30 6.582 7.689 1.279 1.00 0.00 H new ATOM 0 HA ALA A 30 4.211 9.219 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.181 7.104 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.306 6.858 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.797 6.422 2.333 1.00 0.00 H new ATOM 452 N GLU A 31 5.589 8.556 4.216 1.00 0.00 N ATOM 453 CA GLU A 31 5.567 8.901 5.636 1.00 0.00 C ATOM 454 C GLU A 31 5.456 10.411 5.816 1.00 0.00 C ATOM 455 O GLU A 31 4.784 10.893 6.729 1.00 0.00 O ATOM 456 CB GLU A 31 6.829 8.381 6.329 1.00 0.00 C ATOM 457 CG GLU A 31 6.734 8.381 7.846 1.00 0.00 C ATOM 458 CD GLU A 31 8.089 8.496 8.515 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.965 9.197 7.965 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.275 7.888 9.589 1.00 0.00 O ATOM 0 H GLU A 31 6.391 7.994 3.929 1.00 0.00 H new ATOM 0 HA GLU A 31 4.696 8.430 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.030 7.366 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.678 8.994 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.103 9.210 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.247 7.463 8.176 1.00 0.00 H new ATOM 467 N ALA A 32 6.115 11.151 4.930 1.00 0.00 N ATOM 468 CA ALA A 32 6.095 12.609 4.969 1.00 0.00 C ATOM 469 C ALA A 32 4.665 13.122 5.021 1.00 0.00 C ATOM 470 O ALA A 32 4.310 13.915 5.894 1.00 0.00 O ATOM 471 CB ALA A 32 6.824 13.180 3.762 1.00 0.00 C ATOM 0 H ALA A 32 6.674 10.761 4.171 1.00 0.00 H new ATOM 0 HA ALA A 32 6.609 12.938 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.801 14.269 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.859 12.839 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.335 12.842 2.848 1.00 0.00 H new ATOM 477 N LYS A 33 3.836 12.647 4.096 1.00 0.00 N ATOM 478 CA LYS A 33 2.438 13.048 4.065 1.00 0.00 C ATOM 479 C LYS A 33 1.761 12.594 5.350 1.00 0.00 C ATOM 480 O LYS A 33 0.803 13.211 5.820 1.00 0.00 O ATOM 481 CB LYS A 33 1.727 12.444 2.856 1.00 0.00 C ATOM 482 CG LYS A 33 2.193 13.019 1.531 1.00 0.00 C ATOM 483 CD LYS A 33 1.830 14.491 1.402 1.00 0.00 C ATOM 484 CE LYS A 33 3.013 15.320 0.928 1.00 0.00 C ATOM 485 NZ LYS A 33 3.677 16.038 2.052 1.00 0.00 N ATOM 0 H LYS A 33 4.107 11.990 3.365 1.00 0.00 H new ATOM 0 HA LYS A 33 2.381 14.133 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.887 11.366 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.654 12.607 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.273 12.901 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.742 12.459 0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.003 14.602 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.484 14.867 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.736 14.671 0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.675 16.043 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.478 16.591 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.994 16.677 2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.023 15.348 2.749 1.00 0.00 H new ATOM 499 N GLY A 34 2.285 11.514 5.920 1.00 0.00 N ATOM 500 CA GLY A 34 1.756 10.983 7.154 1.00 0.00 C ATOM 501 C GLY A 34 0.999 9.688 6.949 1.00 0.00 C ATOM 502 O GLY A 34 0.015 9.418 7.639 1.00 0.00 O ATOM 0 H GLY A 34 3.076 10.994 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.574 10.815 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.094 11.720 7.609 1.00 0.00 H new ATOM 506 N PHE A 35 1.464 8.885 6.001 1.00 0.00 N ATOM 507 CA PHE A 35 0.834 7.611 5.709 1.00 0.00 C ATOM 508 C PHE A 35 1.605 6.467 6.348 1.00 0.00 C ATOM 509 O PHE A 35 2.805 6.575 6.601 1.00 0.00 O ATOM 510 CB PHE A 35 0.745 7.411 4.200 1.00 0.00 C ATOM 511 CG PHE A 35 0.204 8.609 3.476 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.720 9.447 4.082 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.626 8.900 2.195 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.212 10.553 3.417 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.141 10.005 1.523 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.782 10.832 2.136 1.00 0.00 C ATOM 0 H PHE A 35 2.277 9.097 5.422 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.172 7.617 6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.736 7.177 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.110 6.550 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.059 9.232 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.345 8.255 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.932 11.198 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.482 10.222 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.166 11.695 1.613 1.00 0.00 H new ATOM 526 N ASP A 36 0.910 5.367 6.594 1.00 0.00 N ATOM 527 CA ASP A 36 1.532 4.194 7.188 1.00 0.00 C ATOM 528 C ASP A 36 2.211 3.367 6.107 1.00 0.00 C ATOM 529 O ASP A 36 1.570 2.550 5.446 1.00 0.00 O ATOM 530 CB ASP A 36 0.490 3.349 7.921 1.00 0.00 C ATOM 531 CG ASP A 36 0.036 3.990 9.219 1.00 0.00 C ATOM 532 OD1 ASP A 36 0.778 3.895 10.219 1.00 0.00 O ATOM 533 OD2 ASP A 36 -1.062 4.585 9.234 1.00 0.00 O ATOM 0 H ASP A 36 -0.084 5.262 6.392 1.00 0.00 H new ATOM 0 HA ASP A 36 2.280 4.521 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.373 3.198 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.907 2.364 8.132 1.00 0.00 H new ATOM 538 N SER A 37 3.506 3.597 5.907 1.00 0.00 N ATOM 539 CA SER A 37 4.247 2.883 4.880 1.00 0.00 C ATOM 540 C SER A 37 4.639 1.495 5.358 1.00 0.00 C ATOM 541 O SER A 37 4.726 1.237 6.559 1.00 0.00 O ATOM 542 CB SER A 37 5.497 3.670 4.483 1.00 0.00 C ATOM 543 OG SER A 37 6.354 3.861 5.595 1.00 0.00 O ATOM 0 H SER A 37 4.058 4.268 6.441 1.00 0.00 H new ATOM 0 HA SER A 37 3.600 2.778 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.031 3.138 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.207 4.637 4.073 1.00 0.00 H new ATOM 0 HG SER A 37 6.979 4.592 5.405 1.00 0.00 H new ATOM 549 N ILE A 38 4.842 0.598 4.404 1.00 0.00 N ATOM 550 CA ILE A 38 5.191 -0.780 4.710 1.00 0.00 C ATOM 551 C ILE A 38 5.927 -1.423 3.538 1.00 0.00 C ATOM 552 O ILE A 38 5.577 -1.205 2.378 1.00 0.00 O ATOM 553 CB ILE A 38 3.914 -1.588 5.029 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.178 -3.097 4.955 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.799 -1.187 4.073 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.455 -3.892 6.020 1.00 0.00 C ATOM 0 H ILE A 38 4.770 0.802 3.407 1.00 0.00 H new ATOM 0 HA ILE A 38 5.849 -0.784 5.579 1.00 0.00 H new ATOM 0 HB ILE A 38 3.606 -1.360 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.876 -3.462 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.250 -3.275 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.900 -1.760 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.590 -0.123 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.108 -1.391 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.689 -4.950 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.774 -3.554 7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.380 -3.745 5.917 1.00 0.00 H new ATOM 568 N VAL A 39 6.947 -2.215 3.846 1.00 0.00 N ATOM 569 CA VAL A 39 7.727 -2.885 2.813 1.00 0.00 C ATOM 570 C VAL A 39 7.641 -4.402 2.947 1.00 0.00 C ATOM 571 O VAL A 39 8.092 -4.968 3.942 1.00 0.00 O ATOM 572 CB VAL A 39 9.206 -2.461 2.866 1.00 0.00 C ATOM 573 CG1 VAL A 39 9.966 -3.019 1.673 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.325 -0.946 2.920 1.00 0.00 C ATOM 0 H VAL A 39 7.253 -2.409 4.800 1.00 0.00 H new ATOM 0 HA VAL A 39 7.301 -2.586 1.855 1.00 0.00 H new ATOM 0 HB VAL A 39 9.649 -2.871 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.009 -2.708 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.911 -4.108 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.524 -2.642 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.377 -0.665 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.865 -0.513 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.818 -0.573 3.810 1.00 0.00 H new ATOM 584 N LEU A 40 7.067 -5.061 1.941 1.00 0.00 N ATOM 585 CA LEU A 40 6.938 -6.512 1.961 1.00 0.00 C ATOM 586 C LEU A 40 7.848 -7.148 0.920 1.00 0.00 C ATOM 587 O LEU A 40 7.775 -6.823 -0.265 1.00 0.00 O ATOM 588 CB LEU A 40 5.481 -6.933 1.712 1.00 0.00 C ATOM 589 CG LEU A 40 5.290 -8.171 0.821 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.054 -9.364 1.382 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.812 -8.499 0.675 1.00 0.00 C ATOM 0 H LEU A 40 6.687 -4.613 1.107 1.00 0.00 H new ATOM 0 HA LEU A 40 7.238 -6.861 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.007 -7.124 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.952 -6.095 1.257 1.00 0.00 H new ATOM 0 HG LEU A 40 5.692 -7.947 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.904 -10.229 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.117 -9.126 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.688 -9.592 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.695 -9.378 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.385 -8.701 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.295 -7.653 0.222 1.00 0.00 H new ATOM 682 N TYR A 46 10.592 -6.140 -3.618 1.00 0.00 N ATOM 683 CA TYR A 46 10.110 -5.482 -2.407 1.00 0.00 C ATOM 684 C TYR A 46 8.983 -4.514 -2.763 1.00 0.00 C ATOM 685 O TYR A 46 9.094 -3.756 -3.725 1.00 0.00 O ATOM 686 CB TYR A 46 11.241 -4.714 -1.719 1.00 0.00 C ATOM 687 CG TYR A 46 12.190 -5.589 -0.936 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.063 -6.449 -1.586 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.213 -5.555 0.452 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.932 -7.252 -0.875 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.081 -6.355 1.172 1.00 0.00 C ATOM 692 CZ TYR A 46 13.938 -7.201 0.504 1.00 0.00 C ATOM 693 OH TYR A 46 14.804 -8.001 1.214 1.00 0.00 O ATOM 0 HA TYR A 46 9.740 -6.246 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.806 -4.167 -2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.807 -3.974 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.063 -6.491 -2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.542 -4.893 0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.604 -7.917 -1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.087 -6.317 2.251 1.00 0.00 H new ATOM 0 HH TYR A 46 14.682 -7.844 2.174 1.00 0.00 H new ATOM 703 N LYS A 47 7.902 -4.544 -1.993 1.00 0.00 N ATOM 704 CA LYS A 47 6.769 -3.662 -2.249 1.00 0.00 C ATOM 705 C LYS A 47 6.668 -2.569 -1.205 1.00 0.00 C ATOM 706 O LYS A 47 7.059 -2.754 -0.058 1.00 0.00 O ATOM 707 CB LYS A 47 5.466 -4.458 -2.276 1.00 0.00 C ATOM 708 CG LYS A 47 5.165 -5.055 -3.632 1.00 0.00 C ATOM 709 CD LYS A 47 6.108 -6.198 -3.942 1.00 0.00 C ATOM 710 CE LYS A 47 5.701 -7.462 -3.214 1.00 0.00 C ATOM 711 NZ LYS A 47 4.314 -7.883 -3.557 1.00 0.00 N ATOM 0 H LYS A 47 7.786 -5.164 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 47 6.933 -3.198 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.520 -5.258 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.643 -3.807 -1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.135 -5.411 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.254 -4.286 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.118 -6.382 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.123 -5.922 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.395 -8.264 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.775 -7.301 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.220 -8.910 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.639 -7.390 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.114 -7.644 -4.549 1.00 0.00 H new ATOM 725 N VAL A 48 6.131 -1.431 -1.618 1.00 0.00 N ATOM 726 CA VAL A 48 5.964 -0.299 -0.728 1.00 0.00 C ATOM 727 C VAL A 48 4.506 0.151 -0.698 1.00 0.00 C ATOM 728 O VAL A 48 4.027 0.816 -1.618 1.00 0.00 O ATOM 729 CB VAL A 48 6.870 0.869 -1.150 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.665 2.070 -0.239 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.326 0.424 -1.144 1.00 0.00 C ATOM 0 H VAL A 48 5.803 -1.270 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 48 6.253 -0.615 0.274 1.00 0.00 H new ATOM 0 HB VAL A 48 6.602 1.172 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.317 2.884 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.626 2.395 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.905 1.793 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.962 1.257 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.603 0.099 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.457 -0.402 -1.843 1.00 0.00 H new ATOM 741 N GLN A 49 3.806 -0.230 0.366 1.00 0.00 N ATOM 742 CA GLN A 49 2.397 0.114 0.527 1.00 0.00 C ATOM 743 C GLN A 49 2.214 1.192 1.593 1.00 0.00 C ATOM 744 O GLN A 49 2.905 1.199 2.612 1.00 0.00 O ATOM 745 CB GLN A 49 1.601 -1.145 0.894 1.00 0.00 C ATOM 746 CG GLN A 49 0.152 -0.884 1.286 1.00 0.00 C ATOM 747 CD GLN A 49 -0.265 -1.672 2.511 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.307 -2.903 2.489 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.579 -0.965 3.591 1.00 0.00 N ATOM 0 H GLN A 49 4.194 -0.780 1.133 1.00 0.00 H new ATOM 0 HA GLN A 49 2.024 0.514 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.617 -1.830 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.103 -1.649 1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.016 0.180 1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.500 -1.143 0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.530 0.054 3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.869 -1.441 4.446 1.00 0.00 H new ATOM 758 N ILE A 50 1.271 2.095 1.352 1.00 0.00 N ATOM 759 CA ILE A 50 0.981 3.170 2.285 1.00 0.00 C ATOM 760 C ILE A 50 -0.521 3.337 2.496 1.00 0.00 C ATOM 761 O ILE A 50 -1.281 3.547 1.555 1.00 0.00 O ATOM 762 CB ILE A 50 1.613 4.494 1.827 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.266 4.803 0.366 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.118 4.412 2.017 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.206 5.866 0.209 1.00 0.00 C ATOM 0 H ILE A 50 0.692 2.101 0.512 1.00 0.00 H new ATOM 0 HA ILE A 50 1.426 2.895 3.241 1.00 0.00 H new ATOM 0 HB ILE A 50 1.211 5.307 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.169 5.123 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.926 3.888 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.577 5.347 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.343 4.241 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.515 3.589 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.012 6.032 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.711 5.540 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.551 6.794 0.665 1.00 0.00 H new ATOM 777 N GLY A 51 -0.922 3.239 3.754 1.00 0.00 N ATOM 778 CA GLY A 51 -2.318 3.380 4.121 1.00 0.00 C ATOM 779 C GLY A 51 -3.127 2.125 3.857 1.00 0.00 C ATOM 780 O GLY A 51 -3.450 1.815 2.710 1.00 0.00 O ATOM 0 H GLY A 51 -0.296 3.062 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.386 3.635 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.753 4.210 3.564 1.00 0.00 H new ATOM 784 N ALA A 52 -3.463 1.405 4.923 1.00 0.00 N ATOM 785 CA ALA A 52 -4.249 0.183 4.810 1.00 0.00 C ATOM 786 C ALA A 52 -5.451 0.236 5.746 1.00 0.00 C ATOM 787 O ALA A 52 -5.298 0.411 6.955 1.00 0.00 O ATOM 788 CB ALA A 52 -3.387 -1.033 5.118 1.00 0.00 C ATOM 0 H ALA A 52 -3.201 1.649 5.878 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.612 0.098 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.989 -1.937 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.557 -1.079 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.997 -0.955 6.133 1.00 0.00 H new ATOM 794 N PHE A 53 -6.647 0.099 5.184 1.00 0.00 N ATOM 795 CA PHE A 53 -7.867 0.149 5.983 1.00 0.00 C ATOM 796 C PHE A 53 -8.890 -0.876 5.504 1.00 0.00 C ATOM 797 O PHE A 53 -8.718 -1.510 4.464 1.00 0.00 O ATOM 798 CB PHE A 53 -8.481 1.552 5.928 1.00 0.00 C ATOM 799 CG PHE A 53 -7.466 2.658 5.857 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.747 2.881 4.693 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.230 3.472 6.953 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.815 3.897 4.624 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.298 4.489 6.888 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.589 4.703 5.723 1.00 0.00 C ATOM 0 H PHE A 53 -6.798 -0.047 4.186 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.597 -0.091 7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.137 1.617 5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.104 1.700 6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.918 2.253 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.781 3.309 7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.262 4.062 3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.124 5.117 7.749 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.860 5.498 5.671 1.00 0.00 H new ATOM 814 N SER A 54 -9.962 -1.023 6.279 1.00 0.00 N ATOM 815 CA SER A 54 -11.028 -1.960 5.946 1.00 0.00 C ATOM 816 C SER A 54 -11.974 -1.361 4.907 1.00 0.00 C ATOM 817 O SER A 54 -12.737 -2.081 4.265 1.00 0.00 O ATOM 818 CB SER A 54 -11.810 -2.343 7.204 1.00 0.00 C ATOM 819 OG SER A 54 -11.015 -2.188 8.366 1.00 0.00 O ATOM 0 H SER A 54 -10.114 -0.503 7.143 1.00 0.00 H new ATOM 0 HA SER A 54 -10.572 -2.855 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.702 -1.722 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.147 -3.377 7.126 1.00 0.00 H new ATOM 0 HG SER A 54 -11.538 -2.437 9.156 1.00 0.00 H new ATOM 825 N SER A 55 -11.919 -0.039 4.745 1.00 0.00 N ATOM 826 CA SER A 55 -12.772 0.651 3.782 1.00 0.00 C ATOM 827 C SER A 55 -11.941 1.261 2.655 1.00 0.00 C ATOM 828 O SER A 55 -10.953 1.953 2.902 1.00 0.00 O ATOM 829 CB SER A 55 -13.585 1.741 4.481 1.00 0.00 C ATOM 830 OG SER A 55 -14.676 2.155 3.679 1.00 0.00 O ATOM 0 H SER A 55 -11.293 0.573 5.268 1.00 0.00 H new ATOM 0 HA SER A 55 -13.454 -0.080 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.953 1.368 5.437 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.944 2.595 4.697 1.00 0.00 H new ATOM 0 HG SER A 55 -15.181 2.851 4.148 1.00 0.00 H new ATOM 836 N LYS A 56 -12.349 0.997 1.418 1.00 0.00 N ATOM 837 CA LYS A 56 -11.647 1.516 0.251 1.00 0.00 C ATOM 838 C LYS A 56 -11.559 3.037 0.286 1.00 0.00 C ATOM 839 O LYS A 56 -10.551 3.617 -0.112 1.00 0.00 O ATOM 840 CB LYS A 56 -12.341 1.077 -1.034 1.00 0.00 C ATOM 841 CG LYS A 56 -11.549 1.424 -2.279 1.00 0.00 C ATOM 842 CD LYS A 56 -11.648 0.325 -3.322 1.00 0.00 C ATOM 843 CE LYS A 56 -13.077 0.147 -3.811 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.290 -1.190 -4.430 1.00 0.00 N ATOM 0 H LYS A 56 -13.164 0.425 1.198 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.636 1.109 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.506 -0.000 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.322 1.548 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.918 2.360 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.504 1.584 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.001 0.564 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.288 -0.613 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.765 0.274 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.311 0.925 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.276 -1.271 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.652 -1.302 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.091 -1.933 -3.729 1.00 0.00 H new ATOM 858 N ASP A 57 -12.623 3.681 0.764 1.00 0.00 N ATOM 859 CA ASP A 57 -12.660 5.140 0.848 1.00 0.00 C ATOM 860 C ASP A 57 -11.374 5.677 1.467 1.00 0.00 C ATOM 861 O ASP A 57 -10.924 6.776 1.140 1.00 0.00 O ATOM 862 CB ASP A 57 -13.868 5.596 1.668 1.00 0.00 C ATOM 863 CG ASP A 57 -14.326 6.991 1.294 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.384 7.292 0.083 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.625 7.785 2.210 1.00 0.00 O ATOM 0 H ASP A 57 -13.468 3.217 1.098 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.750 5.537 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.690 4.895 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.615 5.572 2.728 1.00 0.00 H new ATOM 870 N ASN A 58 -10.787 4.889 2.357 1.00 0.00 N ATOM 871 CA ASN A 58 -9.548 5.272 3.020 1.00 0.00 C ATOM 872 C ASN A 58 -8.377 5.170 2.049 1.00 0.00 C ATOM 873 O ASN A 58 -7.590 6.104 1.906 1.00 0.00 O ATOM 874 CB ASN A 58 -9.299 4.384 4.240 1.00 0.00 C ATOM 875 CG ASN A 58 -10.475 4.375 5.197 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.929 3.317 5.632 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.977 5.559 5.530 1.00 0.00 N ATOM 0 H ASN A 58 -11.150 3.978 2.637 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.639 6.306 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.095 3.366 3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.410 4.733 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.769 5.615 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.570 6.412 5.146 1.00 0.00 H new ATOM 884 N ALA A 59 -8.279 4.026 1.380 1.00 0.00 N ATOM 885 CA ALA A 59 -7.216 3.789 0.413 1.00 0.00 C ATOM 886 C ALA A 59 -7.245 4.828 -0.700 1.00 0.00 C ATOM 887 O ALA A 59 -6.208 5.360 -1.085 1.00 0.00 O ATOM 888 CB ALA A 59 -7.342 2.390 -0.165 1.00 0.00 C ATOM 0 H ALA A 59 -8.927 3.246 1.491 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.259 3.876 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.543 2.221 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.266 1.657 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.307 2.287 -0.661 1.00 0.00 H new ATOM 894 N ASP A 60 -8.435 5.108 -1.223 1.00 0.00 N ATOM 895 CA ASP A 60 -8.585 6.085 -2.296 1.00 0.00 C ATOM 896 C ASP A 60 -8.078 7.458 -1.861 1.00 0.00 C ATOM 897 O ASP A 60 -7.276 8.083 -2.554 1.00 0.00 O ATOM 898 CB ASP A 60 -10.049 6.181 -2.726 1.00 0.00 C ATOM 899 CG ASP A 60 -10.422 5.128 -3.752 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.768 4.064 -3.773 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.367 5.367 -4.532 1.00 0.00 O ATOM 0 H ASP A 60 -9.307 4.673 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.986 5.750 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.689 6.074 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.239 7.171 -3.140 1.00 0.00 H new ATOM 906 N THR A 61 -8.554 7.920 -0.709 1.00 0.00 N ATOM 907 CA THR A 61 -8.149 9.218 -0.180 1.00 0.00 C ATOM 908 C THR A 61 -6.638 9.275 0.026 1.00 0.00 C ATOM 909 O THR A 61 -6.011 10.314 -0.176 1.00 0.00 O ATOM 910 CB THR A 61 -8.867 9.500 1.140 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.266 9.338 0.995 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.619 10.897 1.669 1.00 0.00 C ATOM 0 H THR A 61 -9.220 7.415 -0.124 1.00 0.00 H new ATOM 0 HA THR A 61 -8.427 9.981 -0.907 1.00 0.00 H new ATOM 0 HB THR A 61 -8.458 8.781 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.520 8.432 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.157 11.032 2.607 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.552 11.037 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.970 11.629 0.942 1.00 0.00 H new ATOM 920 N LEU A 62 -6.059 8.145 0.418 1.00 0.00 N ATOM 921 CA LEU A 62 -4.622 8.049 0.642 1.00 0.00 C ATOM 922 C LEU A 62 -3.886 8.121 -0.669 1.00 0.00 C ATOM 923 O LEU A 62 -2.943 8.891 -0.840 1.00 0.00 O ATOM 924 CB LEU A 62 -4.276 6.703 1.263 1.00 0.00 C ATOM 925 CG LEU A 62 -3.063 6.707 2.190 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.903 7.435 1.534 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.412 7.345 3.524 1.00 0.00 C ATOM 0 H LEU A 62 -6.568 7.277 0.588 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.335 8.870 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.140 6.347 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.098 5.986 0.461 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.764 5.675 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.044 7.431 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.638 6.933 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.193 8.464 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.535 7.339 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.736 8.373 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.216 6.782 3.997 1.00 0.00 H new ATOM 939 N ALA A 63 -4.318 7.268 -1.581 1.00 0.00 N ATOM 940 CA ALA A 63 -3.700 7.175 -2.872 1.00 0.00 C ATOM 941 C ALA A 63 -3.647 8.538 -3.552 1.00 0.00 C ATOM 942 O ALA A 63 -2.574 9.033 -3.895 1.00 0.00 O ATOM 943 CB ALA A 63 -4.429 6.165 -3.745 1.00 0.00 C ATOM 0 H ALA A 63 -5.101 6.630 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.676 6.830 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.944 6.110 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.400 5.185 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.466 6.476 -3.873 1.00 0.00 H new ATOM 949 N ALA A 64 -4.820 9.146 -3.728 1.00 0.00 N ATOM 950 CA ALA A 64 -4.918 10.459 -4.353 1.00 0.00 C ATOM 951 C ALA A 64 -4.004 11.453 -3.648 1.00 0.00 C ATOM 952 O ALA A 64 -3.378 12.301 -4.285 1.00 0.00 O ATOM 953 CB ALA A 64 -6.357 10.950 -4.330 1.00 0.00 C ATOM 0 H ALA A 64 -5.715 8.747 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.598 10.374 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.414 11.932 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.989 10.249 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.701 11.022 -3.298 1.00 0.00 H new ATOM 959 N ARG A 65 -3.915 11.325 -2.329 1.00 0.00 N ATOM 960 CA ARG A 65 -3.059 12.194 -1.534 1.00 0.00 C ATOM 961 C ARG A 65 -1.604 11.965 -1.914 1.00 0.00 C ATOM 962 O ARG A 65 -0.813 12.903 -1.994 1.00 0.00 O ATOM 963 CB ARG A 65 -3.266 11.917 -0.046 1.00 0.00 C ATOM 964 CG ARG A 65 -3.018 13.121 0.843 1.00 0.00 C ATOM 965 CD ARG A 65 -3.452 12.847 2.275 1.00 0.00 C ATOM 966 NE ARG A 65 -4.217 13.956 2.840 1.00 0.00 N ATOM 967 CZ ARG A 65 -3.667 15.015 3.430 1.00 0.00 C ATOM 968 NH1 ARG A 65 -2.347 15.122 3.529 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.439 15.975 3.921 1.00 0.00 N ATOM 0 H ARG A 65 -4.426 10.627 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.320 13.233 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.286 11.566 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.601 11.109 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.959 13.378 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.562 13.982 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.055 11.940 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.572 12.663 2.891 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.234 13.916 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.746 14.389 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.934 15.937 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.454 15.902 3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.018 16.787 4.373 1.00 0.00 H new ATOM 983 N ALA A 66 -1.265 10.703 -2.169 1.00 0.00 N ATOM 984 CA ALA A 66 0.085 10.344 -2.565 1.00 0.00 C ATOM 985 C ALA A 66 0.400 10.958 -3.917 1.00 0.00 C ATOM 986 O ALA A 66 1.490 11.481 -4.133 1.00 0.00 O ATOM 987 CB ALA A 66 0.254 8.834 -2.596 1.00 0.00 C ATOM 0 H ALA A 66 -1.910 9.916 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 66 0.788 10.737 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.273 8.588 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.058 8.426 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.448 8.404 -3.311 1.00 0.00 H new ATOM 993 N LYS A 67 -0.577 10.915 -4.817 1.00 0.00 N ATOM 994 CA LYS A 67 -0.410 11.494 -6.140 1.00 0.00 C ATOM 995 C LYS A 67 -0.173 12.990 -6.018 1.00 0.00 C ATOM 996 O LYS A 67 0.751 13.539 -6.619 1.00 0.00 O ATOM 997 CB LYS A 67 -1.639 11.219 -7.008 1.00 0.00 C ATOM 998 CG LYS A 67 -1.632 9.846 -7.657 1.00 0.00 C ATOM 999 CD LYS A 67 -3.042 9.321 -7.871 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.038 7.871 -8.325 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.218 7.749 -9.798 1.00 0.00 N ATOM 0 H LYS A 67 -1.488 10.487 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 67 0.454 11.033 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.535 11.317 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.701 11.979 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.113 9.898 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.075 9.150 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.608 9.411 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.550 9.934 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.098 7.402 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.835 7.329 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.209 6.744 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.127 8.173 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.444 8.244 -10.285 1.00 0.00 H new ATOM 1015 N ASN A 68 -1.000 13.640 -5.205 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.871 15.069 -4.966 1.00 0.00 C ATOM 1017 C ASN A 68 0.395 15.343 -4.162 1.00 0.00 C ATOM 1018 O ASN A 68 0.968 16.430 -4.227 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.094 15.590 -4.210 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.315 17.074 -4.420 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.890 17.492 -5.427 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.859 17.881 -3.469 1.00 0.00 N ATOM 0 H ASN A 68 -1.768 13.196 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.806 15.585 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.979 15.044 -4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.971 15.391 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.979 18.890 -3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.389 17.492 -2.652 1.00 0.00 H new ATOM 1029 N ALA A 69 0.825 14.335 -3.405 1.00 0.00 N ATOM 1030 CA ALA A 69 2.020 14.434 -2.580 1.00 0.00 C ATOM 1031 C ALA A 69 3.288 14.303 -3.420 1.00 0.00 C ATOM 1032 O ALA A 69 4.360 14.747 -3.011 1.00 0.00 O ATOM 1033 CB ALA A 69 1.992 13.356 -1.508 1.00 0.00 C ATOM 0 H ALA A 69 0.355 13.432 -3.349 1.00 0.00 H new ATOM 0 HA ALA A 69 2.030 15.418 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.888 13.432 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.109 13.488 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.959 12.374 -1.980 1.00 0.00 H new ATOM 1039 N GLY A 70 3.159 13.683 -4.588 1.00 0.00 N ATOM 1040 CA GLY A 70 4.301 13.492 -5.458 1.00 0.00 C ATOM 1041 C GLY A 70 4.687 12.031 -5.558 1.00 0.00 C ATOM 1042 O GLY A 70 5.832 11.696 -5.858 1.00 0.00 O ATOM 0 H GLY A 70 2.281 13.309 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.071 13.877 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.147 14.067 -5.081 1.00 0.00 H new ATOM 1046 N PHE A 71 3.718 11.158 -5.290 1.00 0.00 N ATOM 1047 CA PHE A 71 3.937 9.725 -5.329 1.00 0.00 C ATOM 1048 C PHE A 71 2.835 9.055 -6.142 1.00 0.00 C ATOM 1049 O PHE A 71 1.705 9.532 -6.168 1.00 0.00 O ATOM 1050 CB PHE A 71 3.939 9.165 -3.905 1.00 0.00 C ATOM 1051 CG PHE A 71 4.449 10.139 -2.877 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.673 10.767 -3.043 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.697 10.432 -1.749 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.137 11.671 -2.106 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.155 11.336 -0.810 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.376 11.957 -0.987 1.00 0.00 C ATOM 0 H PHE A 71 2.766 11.428 -5.042 1.00 0.00 H new ATOM 0 HA PHE A 71 4.900 9.523 -5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.925 8.866 -3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.554 8.265 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.271 10.548 -3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.743 9.948 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.093 12.154 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.558 11.557 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.735 12.664 -0.254 1.00 0.00 H new ATOM 1066 N ASP A 72 3.158 7.954 -6.803 1.00 0.00 N ATOM 1067 CA ASP A 72 2.171 7.243 -7.606 1.00 0.00 C ATOM 1068 C ASP A 72 1.491 6.152 -6.787 1.00 0.00 C ATOM 1069 O ASP A 72 1.773 4.968 -6.970 1.00 0.00 O ATOM 1070 CB ASP A 72 2.833 6.635 -8.843 1.00 0.00 C ATOM 1071 CG ASP A 72 1.831 5.961 -9.761 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.710 6.491 -9.910 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.169 4.902 -10.333 1.00 0.00 O ATOM 0 H ASP A 72 4.088 7.535 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 72 1.412 7.958 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.357 7.417 -9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.582 5.908 -8.531 1.00 0.00 H new ATOM 1078 N ALA A 73 0.591 6.549 -5.888 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.120 5.588 -5.052 1.00 0.00 C ATOM 1080 C ALA A 73 -1.357 5.033 -5.748 1.00 0.00 C ATOM 1081 O ALA A 73 -2.075 5.756 -6.440 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.518 6.227 -3.732 1.00 0.00 C ATOM 0 H ALA A 73 0.339 7.523 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 73 0.561 4.758 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.048 5.497 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.376 6.562 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.168 7.081 -3.923 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.604 3.745 -5.541 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.758 3.073 -6.121 1.00 0.00 C ATOM 1090 C ILE A 74 -3.462 2.236 -5.060 1.00 0.00 C ATOM 1091 O ILE A 74 -2.831 1.774 -4.116 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.353 2.165 -7.300 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.342 1.110 -6.841 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.782 2.999 -8.437 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.835 -0.311 -7.008 1.00 0.00 C ATOM 0 H ILE A 74 -1.013 3.141 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.433 3.842 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.242 1.650 -7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.418 1.234 -7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.101 1.282 -5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.500 2.345 -9.262 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.533 3.711 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.903 3.539 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.068 -1.005 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.743 -0.452 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.049 -0.501 -8.060 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.763 2.035 -5.219 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.523 1.245 -4.257 1.00 0.00 C ATOM 1109 C VAL A 75 -5.846 -0.136 -4.815 1.00 0.00 C ATOM 1110 O VAL A 75 -6.236 -0.272 -5.976 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.829 1.952 -3.841 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.659 1.064 -2.921 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.517 3.282 -3.168 1.00 0.00 C ATOM 0 H VAL A 75 -5.311 2.403 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.894 1.135 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.416 2.146 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.575 1.585 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.911 0.139 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.085 0.833 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.447 3.771 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.909 3.107 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.971 3.922 -3.862 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.679 -1.155 -3.982 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.950 -2.526 -4.391 1.00 0.00 C ATOM 1125 C ILE A 76 -6.626 -3.315 -3.275 1.00 0.00 C ATOM 1126 O ILE A 76 -6.299 -3.155 -2.095 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.657 -3.254 -4.804 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.592 -3.110 -3.713 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.145 -2.716 -6.131 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.036 -4.433 -3.235 1.00 0.00 C ATOM 0 H ILE A 76 -5.357 -1.058 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.621 -2.470 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.879 -4.314 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.775 -2.497 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.022 -2.578 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.231 -3.241 -6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.900 -2.870 -6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.936 -1.650 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.287 -4.255 -2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.843 -5.040 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.576 -4.958 -4.072 1.00 0.00 H new