USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 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 Set 1.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= 1.2 (180deg=-0.165) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.0147 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.035) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -69:sc= -0.545 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -5.75! C(o=-5.7!,f=-11!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 39:sc= 0.0166 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 80 THR OG1 : rot -150:sc=-0.00294 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -0.171 (180deg=-0.747) USER MOD Single : A 98 HIS : no HD1:sc= -0.812 X(o=-0.81,f=-1.1) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.441 -2.400 2.166 1.00 0.00 N ATOM 130 CA TRP A 12 -7.191 -1.194 1.384 1.00 0.00 C ATOM 131 C TRP A 12 -8.276 -0.993 0.332 1.00 0.00 C ATOM 132 O TRP A 12 -9.152 -1.840 0.160 1.00 0.00 O ATOM 133 CB TRP A 12 -5.820 -1.272 0.712 1.00 0.00 C ATOM 134 CG TRP A 12 -4.699 -1.521 1.675 1.00 0.00 C ATOM 135 CD1 TRP A 12 -3.920 -0.581 2.287 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.231 -2.794 2.135 1.00 0.00 C ATOM 137 NE1 TRP A 12 -2.996 -1.192 3.100 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.167 -2.549 3.025 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.609 -4.115 1.884 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.478 -3.578 3.661 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.924 -5.136 2.516 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.869 -4.863 3.397 1.00 0.00 C ATOM 0 HA TRP A 12 -7.207 -0.341 2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.833 -2.068 -0.033 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.631 -0.340 0.179 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.016 0.486 2.152 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.297 -0.713 3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.422 -4.335 1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.664 -3.370 4.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.207 -6.161 2.328 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.354 -5.682 3.877 1.00 0.00 H new ATOM 153 N SER A 13 -8.212 0.134 -0.370 1.00 0.00 N ATOM 154 CA SER A 13 -9.192 0.448 -1.403 1.00 0.00 C ATOM 155 C SER A 13 -8.682 0.033 -2.780 1.00 0.00 C ATOM 156 O SER A 13 -7.491 0.116 -3.080 1.00 0.00 O ATOM 157 CB SER A 13 -9.512 1.944 -1.395 1.00 0.00 C ATOM 158 OG SER A 13 -10.526 2.244 -0.452 1.00 0.00 O ATOM 0 H SER A 13 -7.492 0.845 -0.242 1.00 0.00 H new ATOM 0 HA SER A 13 -10.102 -0.112 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.611 2.510 -1.158 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.832 2.256 -2.389 1.00 0.00 H new ATOM 0 HG SER A 13 -10.711 3.206 -0.465 1.00 0.00 H new ATOM 164 N PRO A 14 -9.605 -0.426 -3.638 1.00 0.00 N ATOM 165 CA PRO A 14 -9.274 -0.863 -4.998 1.00 0.00 C ATOM 166 C PRO A 14 -8.871 0.299 -5.899 1.00 0.00 C ATOM 167 O PRO A 14 -8.608 0.113 -7.086 1.00 0.00 O ATOM 168 CB PRO A 14 -10.575 -1.498 -5.493 1.00 0.00 C ATOM 169 CG PRO A 14 -11.646 -0.838 -4.696 1.00 0.00 C ATOM 170 CD PRO A 14 -11.043 -0.553 -3.348 1.00 0.00 C ATOM 0 HA PRO A 14 -8.421 -1.541 -5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.716 -1.330 -6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.573 -2.577 -5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.980 0.082 -5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.519 -1.484 -4.604 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.447 0.361 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.241 -1.358 -2.641 1.00 0.00 H new ATOM 178 N GLU A 15 -8.826 1.498 -5.326 1.00 0.00 N ATOM 179 CA GLU A 15 -8.456 2.691 -6.079 1.00 0.00 C ATOM 180 C GLU A 15 -7.083 3.201 -5.651 1.00 0.00 C ATOM 181 O GLU A 15 -6.911 3.691 -4.534 1.00 0.00 O ATOM 182 CB GLU A 15 -9.504 3.789 -5.885 1.00 0.00 C ATOM 183 CG GLU A 15 -9.389 4.511 -4.553 1.00 0.00 C ATOM 184 CD GLU A 15 -10.714 5.075 -4.080 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.761 4.468 -4.388 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.705 6.124 -3.401 1.00 0.00 O ATOM 0 H GLU A 15 -9.041 1.669 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.412 2.424 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.410 4.516 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.498 3.349 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.003 3.821 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.665 5.321 -4.644 1.00 0.00 H new ATOM 193 N VAL A 16 -6.108 3.081 -6.546 1.00 0.00 N ATOM 194 CA VAL A 16 -4.750 3.529 -6.262 1.00 0.00 C ATOM 195 C VAL A 16 -4.524 4.950 -6.767 1.00 0.00 C ATOM 196 O VAL A 16 -4.931 5.300 -7.875 1.00 0.00 O ATOM 197 CB VAL A 16 -3.705 2.597 -6.903 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.918 2.509 -8.406 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.297 3.075 -6.582 1.00 0.00 C ATOM 0 H VAL A 16 -6.233 2.677 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.630 3.507 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.829 1.598 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.170 1.846 -8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.914 2.116 -8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.823 3.502 -8.846 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.571 2.405 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.158 4.084 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.152 3.080 -5.502 1.00 0.00 H new ATOM 209 N LYS A 17 -3.871 5.766 -5.946 1.00 0.00 N ATOM 210 CA LYS A 17 -3.588 7.150 -6.308 1.00 0.00 C ATOM 211 C LYS A 17 -2.090 7.368 -6.496 1.00 0.00 C ATOM 212 O LYS A 17 -1.274 6.771 -5.792 1.00 0.00 O ATOM 213 CB LYS A 17 -4.122 8.100 -5.233 1.00 0.00 C ATOM 214 CG LYS A 17 -3.767 7.677 -3.818 1.00 0.00 C ATOM 215 CD LYS A 17 -3.788 8.857 -2.862 1.00 0.00 C ATOM 216 CE LYS A 17 -3.295 8.462 -1.478 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.359 7.791 -0.681 1.00 0.00 N ATOM 0 H LYS A 17 -3.528 5.493 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.089 7.362 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.727 9.100 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.206 8.165 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.471 6.918 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.778 7.220 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.163 9.658 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.802 9.250 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.438 7.795 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.950 9.350 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.984 7.538 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.167 8.436 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.671 6.930 -1.174 1.00 0.00 H new ATOM 231 N ILE A 18 -1.736 8.226 -7.446 1.00 0.00 N ATOM 232 CA ILE A 18 -0.336 8.524 -7.723 1.00 0.00 C ATOM 233 C ILE A 18 0.107 9.797 -7.009 1.00 0.00 C ATOM 234 O ILE A 18 -0.404 10.883 -7.281 1.00 0.00 O ATOM 235 CB ILE A 18 -0.082 8.681 -9.234 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.462 7.396 -9.973 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.374 9.036 -9.492 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.446 6.228 -9.661 1.00 0.00 C ATOM 0 H ILE A 18 -2.399 8.727 -8.037 1.00 0.00 H new ATOM 0 HA ILE A 18 0.246 7.681 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.705 9.492 -9.610 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.487 7.128 -9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.442 7.584 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.538 9.144 -10.564 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.614 9.975 -8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.016 8.245 -9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.117 5.352 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.469 6.476 -9.945 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.408 6.013 -8.593 1.00 0.00 H new ATOM 250 N VAL A 19 1.062 9.655 -6.096 1.00 0.00 N ATOM 251 CA VAL A 19 1.577 10.793 -5.345 1.00 0.00 C ATOM 252 C VAL A 19 2.916 11.261 -5.905 1.00 0.00 C ATOM 253 O VAL A 19 3.847 10.470 -6.054 1.00 0.00 O ATOM 254 CB VAL A 19 1.748 10.451 -3.853 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.309 11.642 -3.092 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.423 10.001 -3.255 1.00 0.00 C ATOM 0 H VAL A 19 1.495 8.762 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 19 0.845 11.594 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 19 2.458 9.629 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.423 11.381 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.280 11.913 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.627 12.487 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.562 9.763 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.311 10.801 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.068 9.116 -3.783 1.00 0.00 H new ATOM 266 N GLU A 20 3.005 12.551 -6.211 1.00 0.00 N ATOM 267 CA GLU A 20 4.231 13.123 -6.755 1.00 0.00 C ATOM 268 C GLU A 20 5.194 13.510 -5.636 1.00 0.00 C ATOM 269 O GLU A 20 4.997 14.515 -4.951 1.00 0.00 O ATOM 270 CB GLU A 20 3.912 14.348 -7.614 1.00 0.00 C ATOM 271 CG GLU A 20 3.672 14.020 -9.078 1.00 0.00 C ATOM 272 CD GLU A 20 2.967 15.139 -9.819 1.00 0.00 C ATOM 273 OE1 GLU A 20 2.004 15.706 -9.263 1.00 0.00 O ATOM 274 OE2 GLU A 20 3.381 15.449 -10.956 1.00 0.00 O ATOM 0 H GLU A 20 2.244 13.219 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 20 4.709 12.367 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.028 14.843 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.736 15.058 -7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.627 13.814 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.076 13.110 -9.150 1.00 0.00 H new ATOM 281 N LEU A 21 6.235 12.705 -5.454 1.00 0.00 N ATOM 282 CA LEU A 21 7.229 12.962 -4.418 1.00 0.00 C ATOM 283 C LEU A 21 8.561 13.380 -5.033 1.00 0.00 C ATOM 284 O LEU A 21 9.100 12.691 -5.899 1.00 0.00 O ATOM 285 CB LEU A 21 7.423 11.717 -3.550 1.00 0.00 C ATOM 286 CG LEU A 21 6.361 11.475 -2.478 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.871 10.495 -1.433 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.952 12.788 -1.826 1.00 0.00 C ATOM 0 H LEU A 21 6.413 11.869 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 21 6.866 13.779 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.457 10.845 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.395 11.787 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 21 5.483 11.041 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.101 10.335 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.113 9.546 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.765 10.901 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.195 12.596 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.823 13.251 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.544 13.458 -2.583 1.00 0.00 H new ATOM 300 N VAL A 22 9.089 14.511 -4.576 1.00 0.00 N ATOM 301 CA VAL A 22 10.360 15.019 -5.079 1.00 0.00 C ATOM 302 C VAL A 22 11.527 14.499 -4.247 1.00 0.00 C ATOM 303 O VAL A 22 11.779 14.980 -3.142 1.00 0.00 O ATOM 304 CB VAL A 22 10.389 16.559 -5.077 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.773 17.068 -5.451 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.335 17.113 -6.024 1.00 0.00 C ATOM 0 H VAL A 22 8.656 15.093 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 22 10.460 14.662 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 22 10.160 16.908 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.774 18.158 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.503 16.700 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.035 16.711 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.370 18.202 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.531 16.757 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.348 16.777 -5.706 1.00 0.00 H new ATOM 316 N LYS A 23 12.237 13.514 -4.786 1.00 0.00 N ATOM 317 CA LYS A 23 13.380 12.928 -4.095 1.00 0.00 C ATOM 318 C LYS A 23 14.530 13.925 -4.004 1.00 0.00 C ATOM 319 O LYS A 23 14.903 14.549 -4.997 1.00 0.00 O ATOM 320 CB LYS A 23 13.845 11.662 -4.819 1.00 0.00 C ATOM 321 CG LYS A 23 15.131 11.079 -4.259 1.00 0.00 C ATOM 322 CD LYS A 23 15.256 9.598 -4.575 1.00 0.00 C ATOM 323 CE LYS A 23 16.703 9.134 -4.509 1.00 0.00 C ATOM 324 NZ LYS A 23 16.806 7.685 -4.181 1.00 0.00 N ATOM 0 H LYS A 23 12.041 13.104 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 23 13.067 12.667 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.059 10.910 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.989 11.890 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.985 11.614 -4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.158 11.225 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.656 9.023 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.855 9.402 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.190 9.325 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.237 9.715 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.682 7.511 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.988 7.400 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.821 7.130 -5.061 1.00 0.00 H new ATOM 338 N ASP A 24 15.088 14.069 -2.807 1.00 0.00 N ATOM 339 CA ASP A 24 16.198 14.989 -2.586 1.00 0.00 C ATOM 340 C ASP A 24 17.526 14.238 -2.543 1.00 0.00 C ATOM 341 O ASP A 24 17.558 13.009 -2.619 1.00 0.00 O ATOM 342 CB ASP A 24 15.994 15.765 -1.285 1.00 0.00 C ATOM 343 CG ASP A 24 16.899 16.978 -1.186 1.00 0.00 C ATOM 344 OD1 ASP A 24 16.903 17.794 -2.132 1.00 0.00 O ATOM 345 OD2 ASP A 24 17.601 17.112 -0.163 1.00 0.00 O ATOM 0 H ASP A 24 14.790 13.560 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 24 16.226 15.692 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.954 16.084 -1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.182 15.105 -0.438 1.00 0.00 H new ATOM 350 N CYS A 25 18.618 14.985 -2.422 1.00 0.00 N ATOM 351 CA CYS A 25 19.949 14.390 -2.371 1.00 0.00 C ATOM 352 C CYS A 25 19.999 13.258 -1.350 1.00 0.00 C ATOM 353 O CYS A 25 20.614 12.219 -1.589 1.00 0.00 O ATOM 354 CB CYS A 25 20.992 15.453 -2.025 1.00 0.00 C ATOM 355 SG CYS A 25 21.058 16.831 -3.194 1.00 0.00 S ATOM 0 H CYS A 25 18.608 16.003 -2.357 1.00 0.00 H new ATOM 0 HA CYS A 25 20.175 13.978 -3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.780 15.844 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.974 14.982 -1.979 1.00 0.00 H new ATOM 0 HG CYS A 25 21.968 17.678 -2.815 1.00 0.00 H new ATOM 361 N LYS A 26 19.351 13.468 -0.209 1.00 0.00 N ATOM 362 CA LYS A 26 19.321 12.467 0.851 1.00 0.00 C ATOM 363 C LYS A 26 18.370 11.329 0.497 1.00 0.00 C ATOM 364 O LYS A 26 18.474 10.229 1.039 1.00 0.00 O ATOM 365 CB LYS A 26 18.898 13.108 2.174 1.00 0.00 C ATOM 366 CG LYS A 26 17.497 13.695 2.145 1.00 0.00 C ATOM 367 CD LYS A 26 17.007 14.039 3.541 1.00 0.00 C ATOM 368 CE LYS A 26 17.801 15.188 4.144 1.00 0.00 C ATOM 369 NZ LYS A 26 17.269 16.512 3.718 1.00 0.00 N ATOM 0 H LYS A 26 18.839 14.324 0.005 1.00 0.00 H new ATOM 0 HA LYS A 26 20.325 12.057 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.953 12.360 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.607 13.895 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.490 14.591 1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.813 12.983 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.951 14.307 3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.090 13.162 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.773 15.118 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.846 15.103 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.836 17.269 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.319 16.589 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.279 16.603 4.024 1.00 0.00 H new ATOM 383 N GLY A 27 17.443 11.600 -0.417 1.00 0.00 N ATOM 384 CA GLY A 27 16.488 10.588 -0.828 1.00 0.00 C ATOM 385 C GLY A 27 15.076 10.907 -0.379 1.00 0.00 C ATOM 386 O GLY A 27 14.652 12.063 -0.414 1.00 0.00 O ATOM 0 H GLY A 27 17.337 12.503 -0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.508 10.494 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.787 9.623 -0.418 1.00 0.00 H new ATOM 390 N LEU A 28 14.344 9.881 0.042 1.00 0.00 N ATOM 391 CA LEU A 28 12.970 10.058 0.499 1.00 0.00 C ATOM 392 C LEU A 28 12.927 10.352 1.995 1.00 0.00 C ATOM 393 O LEU A 28 13.964 10.493 2.640 1.00 0.00 O ATOM 394 CB LEU A 28 12.145 8.808 0.189 1.00 0.00 C ATOM 395 CG LEU A 28 11.778 8.592 -1.280 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.418 9.914 -1.940 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.924 7.918 -2.022 1.00 0.00 C ATOM 0 H LEU A 28 14.679 8.918 0.076 1.00 0.00 H new ATOM 0 HA LEU A 28 12.543 10.909 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.699 7.936 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.224 8.852 0.770 1.00 0.00 H new ATOM 0 HG LEU A 28 10.907 7.938 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.160 9.741 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.566 10.358 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.270 10.592 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.646 7.772 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.812 8.547 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.135 6.952 -1.564 1.00 0.00 H new ATOM 409 N GLY A 29 11.718 10.441 2.541 1.00 0.00 N ATOM 410 CA GLY A 29 11.561 10.715 3.957 1.00 0.00 C ATOM 411 C GLY A 29 10.514 9.833 4.607 1.00 0.00 C ATOM 412 O GLY A 29 9.829 10.254 5.539 1.00 0.00 O ATOM 0 H GLY A 29 10.844 10.328 2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.517 10.569 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.285 11.761 4.093 1.00 0.00 H new ATOM 416 N PHE A 30 10.387 8.606 4.112 1.00 0.00 N ATOM 417 CA PHE A 30 9.413 7.663 4.649 1.00 0.00 C ATOM 418 C PHE A 30 10.000 6.256 4.720 1.00 0.00 C ATOM 419 O PHE A 30 11.000 5.956 4.069 1.00 0.00 O ATOM 420 CB PHE A 30 8.148 7.657 3.788 1.00 0.00 C ATOM 421 CG PHE A 30 8.413 7.377 2.336 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.687 8.412 1.456 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.389 6.080 1.851 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.931 8.157 0.120 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.632 5.819 0.516 1.00 0.00 C ATOM 426 CZ PHE A 30 8.904 6.859 -0.351 1.00 0.00 C ATOM 0 H PHE A 30 10.946 8.242 3.340 1.00 0.00 H new ATOM 0 HA PHE A 30 9.155 7.982 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.458 6.907 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.652 8.623 3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.710 9.429 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.178 5.263 2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.143 8.972 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.609 4.803 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.095 6.658 -1.395 1.00 0.00 H new ATOM 436 N SER A 31 9.370 5.398 5.516 1.00 0.00 N ATOM 437 CA SER A 31 9.831 4.024 5.676 1.00 0.00 C ATOM 438 C SER A 31 8.824 3.040 5.087 1.00 0.00 C ATOM 439 O SER A 31 7.715 3.421 4.713 1.00 0.00 O ATOM 440 CB SER A 31 10.062 3.710 7.155 1.00 0.00 C ATOM 441 OG SER A 31 11.327 4.183 7.586 1.00 0.00 O ATOM 0 H SER A 31 8.539 5.630 6.060 1.00 0.00 H new ATOM 0 HA SER A 31 10.773 3.919 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.275 4.168 7.754 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.999 2.634 7.316 1.00 0.00 H new ATOM 0 HG SER A 31 11.449 3.971 8.535 1.00 0.00 H new ATOM 447 N ILE A 32 9.220 1.775 5.007 1.00 0.00 N ATOM 448 CA ILE A 32 8.353 0.736 4.465 1.00 0.00 C ATOM 449 C ILE A 32 8.617 -0.607 5.138 1.00 0.00 C ATOM 450 O ILE A 32 9.719 -0.865 5.624 1.00 0.00 O ATOM 451 CB ILE A 32 8.543 0.581 2.944 1.00 0.00 C ATOM 452 CG1 ILE A 32 10.014 0.770 2.570 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.669 1.578 2.198 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.403 0.084 1.279 1.00 0.00 C ATOM 0 H ILE A 32 10.136 1.444 5.311 1.00 0.00 H new ATOM 0 HA ILE A 32 7.327 1.045 4.666 1.00 0.00 H new ATOM 0 HB ILE A 32 8.241 -0.426 2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.224 1.836 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.638 0.387 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.814 1.457 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.622 1.401 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.944 2.592 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.459 0.261 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.225 -0.988 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.805 0.484 0.460 1.00 0.00 H new ATOM 466 N LEU A 33 7.599 -1.460 5.161 1.00 0.00 N ATOM 467 CA LEU A 33 7.720 -2.779 5.773 1.00 0.00 C ATOM 468 C LEU A 33 6.932 -3.820 4.984 1.00 0.00 C ATOM 469 O LEU A 33 6.201 -3.484 4.052 1.00 0.00 O ATOM 470 CB LEU A 33 7.226 -2.739 7.220 1.00 0.00 C ATOM 471 CG LEU A 33 5.725 -2.944 7.424 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.402 -3.098 8.902 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.942 -1.786 6.822 1.00 0.00 C ATOM 0 H LEU A 33 6.681 -1.262 4.763 1.00 0.00 H new ATOM 0 HA LEU A 33 8.773 -3.062 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.757 -3.505 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.502 -1.777 7.650 1.00 0.00 H new ATOM 0 HG LEU A 33 5.430 -3.860 6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.329 -3.243 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.934 -3.961 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.712 -2.201 9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.875 -1.949 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.241 -0.855 7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.148 -1.724 5.754 1.00 0.00 H new ATOM 485 N ASP A 34 7.085 -5.083 5.364 1.00 0.00 N ATOM 486 CA ASP A 34 6.386 -6.173 4.695 1.00 0.00 C ATOM 487 C ASP A 34 5.214 -6.667 5.538 1.00 0.00 C ATOM 488 O ASP A 34 5.388 -7.051 6.695 1.00 0.00 O ATOM 489 CB ASP A 34 7.348 -7.328 4.411 1.00 0.00 C ATOM 490 CG ASP A 34 7.505 -8.256 5.599 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.225 -7.886 6.550 1.00 0.00 O ATOM 492 OD2 ASP A 34 6.908 -9.353 5.579 1.00 0.00 O ATOM 0 H ASP A 34 7.687 -5.378 6.133 1.00 0.00 H new ATOM 0 HA ASP A 34 5.997 -5.794 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.985 -7.897 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.323 -6.926 4.137 1.00 0.00 H new ATOM 497 N TYR A 35 4.023 -6.653 4.952 1.00 0.00 N ATOM 498 CA TYR A 35 2.822 -7.096 5.651 1.00 0.00 C ATOM 499 C TYR A 35 2.300 -8.404 5.063 1.00 0.00 C ATOM 500 O TYR A 35 2.574 -8.730 3.908 1.00 0.00 O ATOM 501 CB TYR A 35 1.736 -6.021 5.575 1.00 0.00 C ATOM 502 CG TYR A 35 0.819 -6.001 6.777 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.145 -6.985 6.957 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.916 -4.997 7.732 1.00 0.00 C ATOM 505 CE1 TYR A 35 -0.985 -6.970 8.053 1.00 0.00 C ATOM 506 CE2 TYR A 35 0.081 -4.974 8.832 1.00 0.00 C ATOM 507 CZ TYR A 35 -0.868 -5.963 8.988 1.00 0.00 C ATOM 508 OH TYR A 35 -1.703 -5.944 10.082 1.00 0.00 O ATOM 0 H TYR A 35 3.863 -6.340 3.995 1.00 0.00 H new ATOM 0 HA TYR A 35 3.083 -7.267 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.210 -5.045 5.473 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.140 -6.181 4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.239 -7.775 6.227 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.657 -4.221 7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.729 -7.743 8.177 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.171 -4.186 9.566 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.489 -5.170 10.643 1.00 0.00 H new ATOM 518 N GLN A 36 1.548 -9.148 5.867 1.00 0.00 N ATOM 519 CA GLN A 36 0.988 -10.420 5.427 1.00 0.00 C ATOM 520 C GLN A 36 -0.526 -10.443 5.616 1.00 0.00 C ATOM 521 O GLN A 36 -1.026 -10.235 6.722 1.00 0.00 O ATOM 522 CB GLN A 36 1.627 -11.577 6.197 1.00 0.00 C ATOM 523 CG GLN A 36 2.861 -12.150 5.519 1.00 0.00 C ATOM 524 CD GLN A 36 3.263 -13.499 6.083 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.389 -13.679 6.548 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.343 -14.455 6.045 1.00 0.00 N ATOM 0 H GLN A 36 1.313 -8.892 6.826 1.00 0.00 H new ATOM 0 HA GLN A 36 1.205 -10.536 4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.898 -11.233 7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.890 -12.370 6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.671 -12.249 4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.690 -11.452 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.422 -14.262 5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.557 -15.383 6.410 1.00 0.00 H new ATOM 535 N ASP A 37 -1.249 -10.697 4.531 1.00 0.00 N ATOM 536 CA ASP A 37 -2.705 -10.748 4.578 1.00 0.00 C ATOM 537 C ASP A 37 -3.181 -11.738 5.637 1.00 0.00 C ATOM 538 O ASP A 37 -2.632 -12.829 5.793 1.00 0.00 O ATOM 539 CB ASP A 37 -3.267 -11.137 3.210 1.00 0.00 C ATOM 540 CG ASP A 37 -4.739 -10.800 3.071 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.576 -11.573 3.584 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.054 -9.763 2.451 1.00 0.00 O ATOM 0 H ASP A 37 -0.850 -10.871 3.608 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.070 -9.756 4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.705 -10.624 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.126 -12.206 3.053 1.00 0.00 H new ATOM 547 N PRO A 38 -4.225 -11.350 6.384 1.00 0.00 N ATOM 548 CA PRO A 38 -4.797 -12.188 7.442 1.00 0.00 C ATOM 549 C PRO A 38 -5.523 -13.408 6.885 1.00 0.00 C ATOM 550 O PRO A 38 -5.759 -14.383 7.601 1.00 0.00 O ATOM 551 CB PRO A 38 -5.785 -11.251 8.142 1.00 0.00 C ATOM 552 CG PRO A 38 -6.153 -10.246 7.106 1.00 0.00 C ATOM 553 CD PRO A 38 -4.928 -10.063 6.253 1.00 0.00 C ATOM 0 HA PRO A 38 -4.030 -12.591 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.662 -11.793 8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.331 -10.775 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.996 -10.592 6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.453 -9.304 7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.189 -9.851 5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.315 -9.233 6.603 1.00 0.00 H new ATOM 561 N LEU A 39 -5.875 -13.349 5.606 1.00 0.00 N ATOM 562 CA LEU A 39 -6.574 -14.450 4.953 1.00 0.00 C ATOM 563 C LEU A 39 -5.636 -15.218 4.027 1.00 0.00 C ATOM 564 O LEU A 39 -5.833 -16.407 3.775 1.00 0.00 O ATOM 565 CB LEU A 39 -7.771 -13.921 4.160 1.00 0.00 C ATOM 566 CG LEU A 39 -8.682 -12.939 4.896 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.690 -12.324 3.937 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.394 -13.632 6.049 1.00 0.00 C ATOM 0 H LEU A 39 -5.688 -12.550 5.000 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.930 -15.131 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.398 -13.434 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.372 -14.771 3.837 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.065 -12.139 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.330 -11.628 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.162 -11.791 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.302 -13.112 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.038 -12.917 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.998 -14.453 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.656 -14.023 6.750 1.00 0.00 H new ATOM 580 N ASP A 40 -4.615 -14.532 3.526 1.00 0.00 N ATOM 581 CA ASP A 40 -3.644 -15.151 2.631 1.00 0.00 C ATOM 582 C ASP A 40 -2.223 -14.948 3.148 1.00 0.00 C ATOM 583 O ASP A 40 -1.586 -13.925 2.899 1.00 0.00 O ATOM 584 CB ASP A 40 -3.775 -14.570 1.222 1.00 0.00 C ATOM 585 CG ASP A 40 -3.333 -15.546 0.150 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.295 -16.762 0.434 1.00 0.00 O ATOM 587 OD2 ASP A 40 -3.025 -15.095 -0.973 1.00 0.00 O ATOM 0 H ASP A 40 -4.438 -13.547 3.724 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.849 -16.221 2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.812 -14.285 1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.178 -13.661 1.150 1.00 0.00 H new ATOM 592 N PRO A 41 -1.714 -15.946 3.885 1.00 0.00 N ATOM 593 CA PRO A 41 -0.363 -15.901 4.453 1.00 0.00 C ATOM 594 C PRO A 41 0.719 -16.008 3.384 1.00 0.00 C ATOM 595 O PRO A 41 1.843 -15.543 3.574 1.00 0.00 O ATOM 596 CB PRO A 41 -0.325 -17.122 5.376 1.00 0.00 C ATOM 597 CG PRO A 41 -1.334 -18.059 4.806 1.00 0.00 C ATOM 598 CD PRO A 41 -2.417 -17.196 4.221 1.00 0.00 C ATOM 0 HA PRO A 41 -0.167 -14.958 4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.667 -17.573 5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.572 -16.850 6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.887 -18.696 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.734 -18.718 5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.864 -17.655 3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.223 -17.024 4.934 1.00 0.00 H new ATOM 606 N THR A 42 0.373 -16.624 2.257 1.00 0.00 N ATOM 607 CA THR A 42 1.315 -16.792 1.158 1.00 0.00 C ATOM 608 C THR A 42 1.402 -15.528 0.310 1.00 0.00 C ATOM 609 O THR A 42 2.035 -15.520 -0.746 1.00 0.00 O ATOM 610 CB THR A 42 0.919 -17.976 0.256 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.396 -17.771 -0.272 1.00 0.00 O ATOM 612 CG2 THR A 42 0.962 -19.285 1.030 1.00 0.00 C ATOM 0 H THR A 42 -0.553 -17.015 2.082 1.00 0.00 H new ATOM 0 HA THR A 42 2.289 -16.994 1.604 1.00 0.00 H new ATOM 0 HB THR A 42 1.635 -18.034 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.640 -18.527 -0.846 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.678 -20.106 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.971 -19.453 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.267 -19.235 1.868 1.00 0.00 H new ATOM 620 N ARG A 43 0.763 -14.461 0.779 1.00 0.00 N ATOM 621 CA ARG A 43 0.768 -13.192 0.063 1.00 0.00 C ATOM 622 C ARG A 43 1.232 -12.057 0.971 1.00 0.00 C ATOM 623 O ARG A 43 0.704 -11.871 2.067 1.00 0.00 O ATOM 624 CB ARG A 43 -0.628 -12.884 -0.484 1.00 0.00 C ATOM 625 CG ARG A 43 -0.869 -13.431 -1.881 1.00 0.00 C ATOM 626 CD ARG A 43 -2.053 -12.750 -2.549 1.00 0.00 C ATOM 627 NE ARG A 43 -2.549 -13.511 -3.692 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.421 -13.031 -4.572 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.890 -11.798 -4.441 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.825 -13.785 -5.587 1.00 0.00 N ATOM 0 H ARG A 43 0.235 -14.451 1.652 1.00 0.00 H new ATOM 0 HA ARG A 43 1.466 -13.277 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.374 -13.299 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.774 -11.804 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.025 -13.288 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.049 -14.505 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.855 -12.623 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.760 -11.753 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.207 -14.463 -3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.581 -11.215 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.559 -11.432 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.466 -14.734 -5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.495 -13.415 -6.262 1.00 0.00 H new ATOM 644 N SER A 44 2.222 -11.301 0.507 1.00 0.00 N ATOM 645 CA SER A 44 2.760 -10.187 1.279 1.00 0.00 C ATOM 646 C SER A 44 2.597 -8.873 0.522 1.00 0.00 C ATOM 647 O SER A 44 2.563 -8.851 -0.708 1.00 0.00 O ATOM 648 CB SER A 44 4.237 -10.426 1.596 1.00 0.00 C ATOM 649 OG SER A 44 4.947 -10.841 0.442 1.00 0.00 O ATOM 0 H SER A 44 2.668 -11.440 -0.400 1.00 0.00 H new ATOM 0 HA SER A 44 2.201 -10.120 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.680 -9.511 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.327 -11.184 2.374 1.00 0.00 H new ATOM 0 HG SER A 44 5.889 -10.985 0.672 1.00 0.00 H new ATOM 655 N VAL A 45 2.496 -7.777 1.267 1.00 0.00 N ATOM 656 CA VAL A 45 2.337 -6.457 0.668 1.00 0.00 C ATOM 657 C VAL A 45 3.100 -5.400 1.458 1.00 0.00 C ATOM 658 O VAL A 45 3.107 -5.414 2.689 1.00 0.00 O ATOM 659 CB VAL A 45 0.853 -6.051 0.590 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.085 -7.008 -0.309 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.239 -6.004 1.981 1.00 0.00 C ATOM 0 H VAL A 45 2.521 -7.777 2.287 1.00 0.00 H new ATOM 0 HA VAL A 45 2.744 -6.517 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 45 0.790 -5.053 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.961 -6.706 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.511 -6.986 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.154 -8.019 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.809 -5.715 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.313 -6.988 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.773 -5.275 2.590 1.00 0.00 H new ATOM 671 N ILE A 46 3.742 -4.483 0.742 1.00 0.00 N ATOM 672 CA ILE A 46 4.508 -3.417 1.376 1.00 0.00 C ATOM 673 C ILE A 46 3.598 -2.277 1.821 1.00 0.00 C ATOM 674 O ILE A 46 2.783 -1.779 1.044 1.00 0.00 O ATOM 675 CB ILE A 46 5.586 -2.858 0.429 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.691 -3.894 0.211 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.166 -1.568 0.989 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.442 -4.252 1.474 1.00 0.00 C ATOM 0 H ILE A 46 3.747 -4.457 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 46 4.994 -3.854 2.249 1.00 0.00 H new ATOM 0 HB ILE A 46 5.124 -2.638 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.252 -4.799 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.397 -3.510 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.926 -1.185 0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.372 -0.829 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.616 -1.764 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.210 -4.991 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.911 -3.358 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.748 -4.666 2.205 1.00 0.00 H new ATOM 690 N VAL A 47 3.744 -1.866 3.077 1.00 0.00 N ATOM 691 CA VAL A 47 2.938 -0.782 3.625 1.00 0.00 C ATOM 692 C VAL A 47 3.808 0.408 4.012 1.00 0.00 C ATOM 693 O VAL A 47 5.023 0.278 4.166 1.00 0.00 O ATOM 694 CB VAL A 47 2.142 -1.245 4.860 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.823 -0.492 4.958 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.906 -2.747 4.809 1.00 0.00 C ATOM 0 H VAL A 47 4.413 -2.268 3.734 1.00 0.00 H new ATOM 0 HA VAL A 47 2.240 -0.479 2.844 1.00 0.00 H new ATOM 0 HB VAL A 47 2.727 -1.023 5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.274 -0.832 5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.020 0.577 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.229 -0.680 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.342 -3.057 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.342 -2.996 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.865 -3.266 4.791 1.00 0.00 H new ATOM 706 N ILE A 48 3.179 1.568 4.168 1.00 0.00 N ATOM 707 CA ILE A 48 3.896 2.782 4.539 1.00 0.00 C ATOM 708 C ILE A 48 4.236 2.787 6.025 1.00 0.00 C ATOM 709 O ILE A 48 3.447 3.248 6.851 1.00 0.00 O ATOM 710 CB ILE A 48 3.077 4.043 4.206 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.829 4.134 2.699 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.795 5.288 4.706 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.069 4.472 1.902 1.00 0.00 C ATOM 0 H ILE A 48 2.174 1.693 4.043 1.00 0.00 H new ATOM 0 HA ILE A 48 4.818 2.794 3.958 1.00 0.00 H new ATOM 0 HB ILE A 48 2.113 3.976 4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.429 3.183 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.068 4.891 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.204 6.171 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.925 5.224 5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.771 5.362 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.819 4.520 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.458 5.437 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.825 3.703 2.062 1.00 0.00 H new ATOM 725 N ARG A 49 5.415 2.275 6.359 1.00 0.00 N ATOM 726 CA ARG A 49 5.860 2.221 7.746 1.00 0.00 C ATOM 727 C ARG A 49 5.531 3.521 8.473 1.00 0.00 C ATOM 728 O ARG A 49 4.756 3.530 9.430 1.00 0.00 O ATOM 729 CB ARG A 49 7.365 1.955 7.811 1.00 0.00 C ATOM 730 CG ARG A 49 7.920 1.935 9.227 1.00 0.00 C ATOM 731 CD ARG A 49 7.563 0.643 9.946 1.00 0.00 C ATOM 732 NE ARG A 49 8.521 0.322 11.001 1.00 0.00 N ATOM 733 CZ ARG A 49 9.735 -0.163 10.769 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.138 -0.382 9.525 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.549 -0.430 11.782 1.00 0.00 N ATOM 0 H ARG A 49 6.080 1.891 5.688 1.00 0.00 H new ATOM 0 HA ARG A 49 5.332 1.405 8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.577 0.999 7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.886 2.721 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.004 2.048 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.527 2.784 9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.565 0.731 10.376 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.528 -0.175 9.226 1.00 0.00 H new ATOM 0 HE ARG A 49 8.242 0.479 11.969 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.515 -0.178 8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.071 -0.755 9.349 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.242 -0.263 12.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.481 -0.803 11.602 1.00 0.00 H new ATOM 749 N SER A 50 6.126 4.618 8.013 1.00 0.00 N ATOM 750 CA SER A 50 5.899 5.923 8.622 1.00 0.00 C ATOM 751 C SER A 50 6.565 7.026 7.806 1.00 0.00 C ATOM 752 O SER A 50 7.498 6.773 7.042 1.00 0.00 O ATOM 753 CB SER A 50 6.434 5.940 10.056 1.00 0.00 C ATOM 754 OG SER A 50 7.849 5.869 10.073 1.00 0.00 O ATOM 0 H SER A 50 6.769 4.628 7.221 1.00 0.00 H new ATOM 0 HA SER A 50 4.825 6.106 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.106 6.850 10.559 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.018 5.100 10.613 1.00 0.00 H new ATOM 0 HG SER A 50 8.166 5.883 11.000 1.00 0.00 H new ATOM 760 N LEU A 51 6.080 8.252 7.973 1.00 0.00 N ATOM 761 CA LEU A 51 6.627 9.396 7.252 1.00 0.00 C ATOM 762 C LEU A 51 7.541 10.221 8.153 1.00 0.00 C ATOM 763 O LEU A 51 7.083 10.865 9.096 1.00 0.00 O ATOM 764 CB LEU A 51 5.496 10.273 6.714 1.00 0.00 C ATOM 765 CG LEU A 51 4.203 9.547 6.341 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.131 10.544 5.928 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.457 8.542 5.227 1.00 0.00 C ATOM 0 H LEU A 51 5.309 8.479 8.601 1.00 0.00 H new ATOM 0 HA LEU A 51 7.216 9.019 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.261 11.029 7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.860 10.801 5.832 1.00 0.00 H new ATOM 0 HG LEU A 51 3.848 9.005 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.218 10.009 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.928 11.224 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.477 11.114 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.526 8.035 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.837 9.062 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.191 7.808 5.560 1.00 0.00 H new ATOM 779 N VAL A 52 8.836 10.197 7.854 1.00 0.00 N ATOM 780 CA VAL A 52 9.815 10.945 8.634 1.00 0.00 C ATOM 781 C VAL A 52 9.386 12.398 8.806 1.00 0.00 C ATOM 782 O VAL A 52 8.831 13.005 7.890 1.00 0.00 O ATOM 783 CB VAL A 52 11.206 10.907 7.975 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.189 11.769 8.752 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.707 9.474 7.872 1.00 0.00 C ATOM 0 H VAL A 52 9.232 9.668 7.077 1.00 0.00 H new ATOM 0 HA VAL A 52 9.872 10.467 9.612 1.00 0.00 H new ATOM 0 HB VAL A 52 11.122 11.312 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.166 11.730 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.834 12.800 8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.272 11.396 9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.691 9.465 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.776 9.040 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.013 8.888 7.269 1.00 0.00 H new ATOM 795 N ALA A 53 9.647 12.951 9.986 1.00 0.00 N ATOM 796 CA ALA A 53 9.290 14.333 10.278 1.00 0.00 C ATOM 797 C ALA A 53 9.754 15.267 9.165 1.00 0.00 C ATOM 798 O ALA A 53 10.953 15.432 8.940 1.00 0.00 O ATOM 799 CB ALA A 53 9.886 14.762 11.611 1.00 0.00 C ATOM 0 H ALA A 53 10.105 12.462 10.755 1.00 0.00 H new ATOM 0 HA ALA A 53 8.204 14.396 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.611 15.797 11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.503 14.120 12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.972 14.677 11.568 1.00 0.00 H new ATOM 805 N ASP A 54 8.797 15.873 8.471 1.00 0.00 N ATOM 806 CA ASP A 54 9.108 16.790 7.381 1.00 0.00 C ATOM 807 C ASP A 54 9.791 16.056 6.231 1.00 0.00 C ATOM 808 O ASP A 54 10.599 16.634 5.505 1.00 0.00 O ATOM 809 CB ASP A 54 10.002 17.926 7.880 1.00 0.00 C ATOM 810 CG ASP A 54 9.789 19.213 7.108 1.00 0.00 C ATOM 811 OD1 ASP A 54 9.394 19.137 5.926 1.00 0.00 O ATOM 812 OD2 ASP A 54 10.019 20.297 7.685 1.00 0.00 O ATOM 0 H ASP A 54 7.800 15.746 8.644 1.00 0.00 H new ATOM 0 HA ASP A 54 8.171 17.210 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.803 18.103 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.046 17.625 7.798 1.00 0.00 H new ATOM 817 N GLY A 55 9.461 14.778 6.072 1.00 0.00 N ATOM 818 CA GLY A 55 10.052 13.986 5.010 1.00 0.00 C ATOM 819 C GLY A 55 9.340 14.169 3.684 1.00 0.00 C ATOM 820 O GLY A 55 8.149 14.477 3.649 1.00 0.00 O ATOM 0 H GLY A 55 8.795 14.277 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.101 14.261 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.027 12.933 5.290 1.00 0.00 H new ATOM 824 N VAL A 56 10.071 13.979 2.590 1.00 0.00 N ATOM 825 CA VAL A 56 9.502 14.126 1.256 1.00 0.00 C ATOM 826 C VAL A 56 8.065 13.618 1.212 1.00 0.00 C ATOM 827 O VAL A 56 7.205 14.215 0.566 1.00 0.00 O ATOM 828 CB VAL A 56 10.334 13.368 0.205 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.656 13.425 -1.156 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.744 13.936 0.131 1.00 0.00 C ATOM 0 H VAL A 56 11.058 13.723 2.602 1.00 0.00 H new ATOM 0 HA VAL A 56 9.516 15.190 1.022 1.00 0.00 H new ATOM 0 HB VAL A 56 10.403 12.323 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.259 12.884 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.669 12.968 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.554 14.464 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.318 13.389 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.698 14.989 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.227 13.838 1.103 1.00 0.00 H new ATOM 840 N ALA A 57 7.812 12.513 1.906 1.00 0.00 N ATOM 841 CA ALA A 57 6.479 11.926 1.949 1.00 0.00 C ATOM 842 C ALA A 57 5.466 12.907 2.531 1.00 0.00 C ATOM 843 O ALA A 57 4.467 13.234 1.892 1.00 0.00 O ATOM 844 CB ALA A 57 6.495 10.638 2.758 1.00 0.00 C ATOM 0 H ALA A 57 8.513 12.006 2.446 1.00 0.00 H new ATOM 0 HA ALA A 57 6.177 11.696 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.493 10.211 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.182 9.928 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.822 10.851 3.776 1.00 0.00 H new ATOM 850 N GLU A 58 5.731 13.371 3.748 1.00 0.00 N ATOM 851 CA GLU A 58 4.841 14.313 4.417 1.00 0.00 C ATOM 852 C GLU A 58 4.798 15.644 3.671 1.00 0.00 C ATOM 853 O GLU A 58 3.727 16.203 3.440 1.00 0.00 O ATOM 854 CB GLU A 58 5.293 14.539 5.861 1.00 0.00 C ATOM 855 CG GLU A 58 4.256 15.244 6.720 1.00 0.00 C ATOM 856 CD GLU A 58 4.358 16.755 6.634 1.00 0.00 C ATOM 857 OE1 GLU A 58 4.071 17.309 5.553 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.724 17.382 7.650 1.00 0.00 O ATOM 0 H GLU A 58 6.554 13.110 4.291 1.00 0.00 H new ATOM 0 HA GLU A 58 3.838 13.886 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.533 13.576 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.211 15.127 5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.259 14.932 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.377 14.934 7.758 1.00 0.00 H new ATOM 865 N ARG A 59 5.972 16.144 3.299 1.00 0.00 N ATOM 866 CA ARG A 59 6.070 17.410 2.582 1.00 0.00 C ATOM 867 C ARG A 59 4.993 17.509 1.505 1.00 0.00 C ATOM 868 O ARG A 59 4.174 18.427 1.515 1.00 0.00 O ATOM 869 CB ARG A 59 7.455 17.556 1.949 1.00 0.00 C ATOM 870 CG ARG A 59 8.559 17.831 2.956 1.00 0.00 C ATOM 871 CD ARG A 59 9.827 18.320 2.273 1.00 0.00 C ATOM 872 NE ARG A 59 9.767 19.746 1.964 1.00 0.00 N ATOM 873 CZ ARG A 59 10.588 20.348 1.112 1.00 0.00 C ATOM 874 NH1 ARG A 59 11.527 19.652 0.486 1.00 0.00 N ATOM 875 NH2 ARG A 59 10.471 21.650 0.883 1.00 0.00 N ATOM 0 H ARG A 59 6.868 15.692 3.482 1.00 0.00 H new ATOM 0 HA ARG A 59 5.919 18.218 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.693 16.644 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.429 18.367 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.220 18.578 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.775 16.923 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.684 18.124 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.984 17.756 1.354 1.00 0.00 H new ATOM 0 HE ARG A 59 9.055 20.310 2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.620 18.651 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.156 20.118 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.750 22.189 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.102 22.111 0.228 1.00 0.00 H new ATOM 889 N SER A 60 5.002 16.557 0.577 1.00 0.00 N ATOM 890 CA SER A 60 4.030 16.540 -0.510 1.00 0.00 C ATOM 891 C SER A 60 2.605 16.571 0.036 1.00 0.00 C ATOM 892 O SER A 60 1.767 17.342 -0.428 1.00 0.00 O ATOM 893 CB SER A 60 4.228 15.297 -1.380 1.00 0.00 C ATOM 894 OG SER A 60 3.524 14.187 -0.851 1.00 0.00 O ATOM 0 H SER A 60 5.671 15.788 0.556 1.00 0.00 H new ATOM 0 HA SER A 60 4.187 17.430 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.884 15.500 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.290 15.060 -1.445 1.00 0.00 H new ATOM 0 HG SER A 60 3.944 13.902 -0.013 1.00 0.00 H new ATOM 900 N GLY A 61 2.339 15.724 1.026 1.00 0.00 N ATOM 901 CA GLY A 61 1.016 15.669 1.619 1.00 0.00 C ATOM 902 C GLY A 61 0.098 14.699 0.901 1.00 0.00 C ATOM 903 O GLY A 61 -1.074 14.996 0.673 1.00 0.00 O ATOM 0 H GLY A 61 3.016 15.075 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.102 15.376 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.572 16.664 1.602 1.00 0.00 H new ATOM 907 N GLY A 62 0.633 13.537 0.541 1.00 0.00 N ATOM 908 CA GLY A 62 -0.159 12.539 -0.154 1.00 0.00 C ATOM 909 C GLY A 62 -0.017 11.158 0.455 1.00 0.00 C ATOM 910 O GLY A 62 -0.966 10.373 0.460 1.00 0.00 O ATOM 0 H GLY A 62 1.601 13.269 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.208 12.835 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.144 12.504 -1.201 1.00 0.00 H new ATOM 914 N LEU A 63 1.171 10.860 0.969 1.00 0.00 N ATOM 915 CA LEU A 63 1.435 9.563 1.583 1.00 0.00 C ATOM 916 C LEU A 63 1.060 9.574 3.061 1.00 0.00 C ATOM 917 O LEU A 63 1.021 10.629 3.696 1.00 0.00 O ATOM 918 CB LEU A 63 2.911 9.192 1.422 1.00 0.00 C ATOM 919 CG LEU A 63 3.284 8.474 0.125 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.245 9.439 -1.050 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.660 7.834 0.246 1.00 0.00 C ATOM 0 H LEU A 63 1.967 11.498 0.973 1.00 0.00 H new ATOM 0 HA LEU A 63 0.822 8.817 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.504 10.104 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.199 8.558 2.261 1.00 0.00 H new ATOM 0 HG LEU A 63 2.553 7.686 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.513 8.910 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.240 9.850 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.953 10.250 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.909 7.327 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.403 8.605 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.654 7.111 1.062 1.00 0.00 H new ATOM 933 N LEU A 64 0.788 8.393 3.606 1.00 0.00 N ATOM 934 CA LEU A 64 0.418 8.265 5.011 1.00 0.00 C ATOM 935 C LEU A 64 0.760 6.876 5.540 1.00 0.00 C ATOM 936 O LEU A 64 0.797 5.894 4.799 1.00 0.00 O ATOM 937 CB LEU A 64 -1.076 8.539 5.193 1.00 0.00 C ATOM 938 CG LEU A 64 -1.542 9.960 4.876 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.060 10.023 4.812 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.009 10.939 5.911 1.00 0.00 C ATOM 0 H LEU A 64 0.817 7.510 3.096 1.00 0.00 H new ATOM 0 HA LEU A 64 0.988 9.000 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.631 7.847 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.343 8.312 6.225 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.146 10.242 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.373 11.042 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.419 9.351 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.478 9.721 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.351 11.946 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.375 10.659 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.081 10.915 5.907 1.00 0.00 H new ATOM 952 N PRO A 65 1.016 6.790 6.854 1.00 0.00 N ATOM 953 CA PRO A 65 1.357 5.525 7.512 1.00 0.00 C ATOM 954 C PRO A 65 0.171 4.568 7.580 1.00 0.00 C ATOM 955 O PRO A 65 -0.841 4.863 8.214 1.00 0.00 O ATOM 956 CB PRO A 65 1.775 5.959 8.919 1.00 0.00 C ATOM 957 CG PRO A 65 1.068 7.251 9.143 1.00 0.00 C ATOM 958 CD PRO A 65 0.991 7.919 7.798 1.00 0.00 C ATOM 0 HA PRO A 65 2.131 4.980 6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.488 5.217 9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.856 6.082 8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.072 7.085 9.554 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.608 7.873 9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.081 8.509 7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.830 8.596 7.637 1.00 0.00 H new ATOM 966 N GLY A 66 0.305 3.420 6.923 1.00 0.00 N ATOM 967 CA GLY A 66 -0.763 2.438 6.922 1.00 0.00 C ATOM 968 C GLY A 66 -1.207 2.065 5.521 1.00 0.00 C ATOM 969 O GLY A 66 -1.754 0.984 5.303 1.00 0.00 O ATOM 0 H GLY A 66 1.134 3.153 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.429 1.542 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.615 2.831 7.477 1.00 0.00 H new ATOM 973 N ASP A 67 -0.974 2.963 4.570 1.00 0.00 N ATOM 974 CA ASP A 67 -1.355 2.724 3.183 1.00 0.00 C ATOM 975 C ASP A 67 -0.386 1.754 2.513 1.00 0.00 C ATOM 976 O ASP A 67 0.817 1.782 2.776 1.00 0.00 O ATOM 977 CB ASP A 67 -1.394 4.042 2.408 1.00 0.00 C ATOM 978 CG ASP A 67 -2.511 4.954 2.874 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.219 4.584 3.834 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.676 6.040 2.279 1.00 0.00 O ATOM 0 H ASP A 67 -0.523 3.863 4.734 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.350 2.278 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.439 4.555 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.519 3.832 1.346 1.00 0.00 H new ATOM 985 N ARG A 68 -0.918 0.896 1.649 1.00 0.00 N ATOM 986 CA ARG A 68 -0.100 -0.084 0.944 1.00 0.00 C ATOM 987 C ARG A 68 0.492 0.517 -0.328 1.00 0.00 C ATOM 988 O ARG A 68 -0.205 1.178 -1.099 1.00 0.00 O ATOM 989 CB ARG A 68 -0.933 -1.319 0.597 1.00 0.00 C ATOM 990 CG ARG A 68 -0.136 -2.420 -0.084 1.00 0.00 C ATOM 991 CD ARG A 68 -1.004 -3.232 -1.031 1.00 0.00 C ATOM 992 NE ARG A 68 -0.218 -4.174 -1.823 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.739 -4.968 -2.752 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.040 -4.933 -3.004 1.00 0.00 N ATOM 995 NH2 ARG A 68 0.042 -5.798 -3.431 1.00 0.00 N ATOM 0 H ARG A 68 -1.911 0.859 1.420 1.00 0.00 H new ATOM 0 HA ARG A 68 0.718 -0.378 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.377 -1.715 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.755 -1.021 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.695 -1.981 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.295 -3.078 0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.753 -3.778 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.541 -2.558 -1.698 1.00 0.00 H new ATOM 0 HE ARG A 68 0.787 -4.225 -1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.643 -4.296 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.438 -5.544 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.044 -5.827 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.359 -6.407 -4.144 1.00 0.00 H new ATOM 1009 N LEU A 69 1.782 0.282 -0.541 1.00 0.00 N ATOM 1010 CA LEU A 69 2.469 0.800 -1.720 1.00 0.00 C ATOM 1011 C LEU A 69 2.387 -0.190 -2.877 1.00 0.00 C ATOM 1012 O LEU A 69 2.685 -1.374 -2.717 1.00 0.00 O ATOM 1013 CB LEU A 69 3.933 1.098 -1.391 1.00 0.00 C ATOM 1014 CG LEU A 69 4.813 1.521 -2.568 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.309 2.824 -3.169 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.262 1.661 -2.127 1.00 0.00 C ATOM 0 H LEU A 69 2.373 -0.263 0.086 1.00 0.00 H new ATOM 0 HA LEU A 69 1.975 1.724 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.962 1.887 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.371 0.209 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 69 4.760 0.747 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.947 3.110 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.286 2.690 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.332 3.607 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.874 1.963 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.333 2.416 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.620 0.705 -1.744 1.00 0.00 H new ATOM 1028 N VAL A 70 1.983 0.302 -4.043 1.00 0.00 N ATOM 1029 CA VAL A 70 1.865 -0.538 -5.229 1.00 0.00 C ATOM 1030 C VAL A 70 3.182 -0.595 -5.996 1.00 0.00 C ATOM 1031 O VAL A 70 3.708 -1.674 -6.268 1.00 0.00 O ATOM 1032 CB VAL A 70 0.757 -0.029 -6.170 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.465 -1.055 -7.255 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.502 0.298 -5.381 1.00 0.00 C ATOM 0 H VAL A 70 1.732 1.279 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 70 1.606 -1.539 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 70 1.104 0.885 -6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.320 -0.678 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.368 -1.235 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.137 -1.987 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.275 0.656 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.855 -0.598 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.280 1.071 -4.645 1.00 0.00 H new ATOM 1044 N SER A 71 3.710 0.575 -6.341 1.00 0.00 N ATOM 1045 CA SER A 71 4.964 0.659 -7.080 1.00 0.00 C ATOM 1046 C SER A 71 5.664 1.988 -6.812 1.00 0.00 C ATOM 1047 O SER A 71 5.089 2.897 -6.213 1.00 0.00 O ATOM 1048 CB SER A 71 4.709 0.498 -8.580 1.00 0.00 C ATOM 1049 OG SER A 71 3.611 1.290 -8.999 1.00 0.00 O ATOM 0 H SER A 71 3.289 1.478 -6.121 1.00 0.00 H new ATOM 0 HA SER A 71 5.612 -0.149 -6.740 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.601 0.785 -9.136 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.514 -0.550 -8.808 1.00 0.00 H new ATOM 0 HG SER A 71 3.470 1.171 -9.961 1.00 0.00 H new ATOM 1055 N VAL A 72 6.911 2.094 -7.260 1.00 0.00 N ATOM 1056 CA VAL A 72 7.691 3.311 -7.071 1.00 0.00 C ATOM 1057 C VAL A 72 8.528 3.625 -8.305 1.00 0.00 C ATOM 1058 O VAL A 72 9.485 2.916 -8.616 1.00 0.00 O ATOM 1059 CB VAL A 72 8.622 3.197 -5.848 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.578 4.378 -5.793 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.808 3.098 -4.567 1.00 0.00 C ATOM 0 H VAL A 72 7.403 1.351 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 72 6.980 4.120 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 72 9.213 2.287 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.227 4.280 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.185 4.397 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.008 5.304 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.481 3.018 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.189 3.989 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.169 2.216 -4.609 1.00 0.00 H new ATOM 1071 N ASN A 73 8.162 4.693 -9.006 1.00 0.00 N ATOM 1072 CA ASN A 73 8.879 5.102 -10.208 1.00 0.00 C ATOM 1073 C ASN A 73 8.830 4.008 -11.270 1.00 0.00 C ATOM 1074 O ASN A 73 9.830 3.724 -11.929 1.00 0.00 O ATOM 1075 CB ASN A 73 10.334 5.436 -9.870 1.00 0.00 C ATOM 1076 CG ASN A 73 10.509 6.874 -9.424 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.596 7.476 -8.858 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.686 7.433 -9.678 1.00 0.00 N ATOM 0 H ASN A 73 7.373 5.291 -8.762 1.00 0.00 H new ATOM 0 HA ASN A 73 8.392 5.992 -10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.683 4.769 -9.082 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.959 5.251 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.862 8.399 -9.402 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.414 6.897 -10.149 1.00 0.00 H new ATOM 1085 N GLU A 74 7.660 3.397 -11.428 1.00 0.00 N ATOM 1086 CA GLU A 74 7.481 2.333 -12.410 1.00 0.00 C ATOM 1087 C GLU A 74 8.144 1.042 -11.940 1.00 0.00 C ATOM 1088 O GLU A 74 8.941 0.442 -12.662 1.00 0.00 O ATOM 1089 CB GLU A 74 8.061 2.754 -13.762 1.00 0.00 C ATOM 1090 CG GLU A 74 7.367 2.108 -14.949 1.00 0.00 C ATOM 1091 CD GLU A 74 8.197 2.173 -16.217 1.00 0.00 C ATOM 1092 OE1 GLU A 74 9.076 1.305 -16.396 1.00 0.00 O ATOM 1093 OE2 GLU A 74 7.966 3.093 -17.029 1.00 0.00 O ATOM 0 H GLU A 74 6.823 3.620 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 74 6.412 2.152 -12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.991 3.838 -13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.121 2.500 -13.789 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.149 1.066 -14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.411 2.603 -15.119 1.00 0.00 H new ATOM 1100 N TYR A 75 7.811 0.621 -10.725 1.00 0.00 N ATOM 1101 CA TYR A 75 8.375 -0.597 -10.156 1.00 0.00 C ATOM 1102 C TYR A 75 7.312 -1.390 -9.402 1.00 0.00 C ATOM 1103 O TYR A 75 6.884 -0.999 -8.315 1.00 0.00 O ATOM 1104 CB TYR A 75 9.535 -0.257 -9.218 1.00 0.00 C ATOM 1105 CG TYR A 75 10.871 -0.159 -9.918 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.661 -1.286 -10.110 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.345 1.060 -10.385 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.883 -1.202 -10.748 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.566 1.154 -11.026 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.331 0.020 -11.205 1.00 0.00 C ATOM 1111 OH TYR A 75 14.548 0.110 -11.841 1.00 0.00 O ATOM 0 H TYR A 75 7.153 1.106 -10.115 1.00 0.00 H new ATOM 0 HA TYR A 75 8.747 -1.212 -10.976 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.324 0.690 -8.722 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.597 -1.018 -8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.313 -2.245 -9.754 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.749 1.950 -10.245 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.484 -2.088 -10.888 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.919 2.110 -11.385 1.00 0.00 H new ATOM 0 HH TYR A 75 14.713 1.040 -12.101 1.00 0.00 H new ATOM 1121 N CYS A 76 6.891 -2.506 -9.987 1.00 0.00 N ATOM 1122 CA CYS A 76 5.878 -3.356 -9.372 1.00 0.00 C ATOM 1123 C CYS A 76 6.400 -3.979 -8.081 1.00 0.00 C ATOM 1124 O CYS A 76 7.212 -4.905 -8.111 1.00 0.00 O ATOM 1125 CB CYS A 76 5.445 -4.454 -10.344 1.00 0.00 C ATOM 1126 SG CYS A 76 6.795 -5.518 -10.905 1.00 0.00 S ATOM 0 H CYS A 76 7.235 -2.843 -10.886 1.00 0.00 H new ATOM 0 HA CYS A 76 5.016 -2.734 -9.130 1.00 0.00 H new ATOM 0 HB2 CYS A 76 4.686 -5.071 -9.863 1.00 0.00 H new ATOM 0 HB3 CYS A 76 4.976 -3.991 -11.213 1.00 0.00 H new ATOM 0 HG CYS A 76 7.601 -5.756 -9.913 1.00 0.00 H new ATOM 1132 N LEU A 77 5.932 -3.464 -6.950 1.00 0.00 N ATOM 1133 CA LEU A 77 6.353 -3.969 -5.648 1.00 0.00 C ATOM 1134 C LEU A 77 5.334 -4.959 -5.091 1.00 0.00 C ATOM 1135 O LEU A 77 5.184 -5.094 -3.877 1.00 0.00 O ATOM 1136 CB LEU A 77 6.543 -2.810 -4.667 1.00 0.00 C ATOM 1137 CG LEU A 77 7.457 -1.677 -5.136 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.445 -0.533 -4.134 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.874 -2.188 -5.348 1.00 0.00 C ATOM 0 H LEU A 77 5.261 -2.697 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 77 7.303 -4.488 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.564 -2.389 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.943 -3.211 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 77 7.081 -1.303 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.101 0.264 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.430 -0.149 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.796 -0.893 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.510 -1.368 -5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.260 -2.589 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.868 -2.973 -6.104 1.00 0.00 H new ATOM 1151 N ASP A 78 4.638 -5.650 -5.988 1.00 0.00 N ATOM 1152 CA ASP A 78 3.636 -6.630 -5.587 1.00 0.00 C ATOM 1153 C ASP A 78 4.297 -7.920 -5.110 1.00 0.00 C ATOM 1154 O ASP A 78 5.083 -8.530 -5.834 1.00 0.00 O ATOM 1155 CB ASP A 78 2.689 -6.928 -6.751 1.00 0.00 C ATOM 1156 CG ASP A 78 3.314 -7.841 -7.787 1.00 0.00 C ATOM 1157 OD1 ASP A 78 4.250 -7.396 -8.484 1.00 0.00 O ATOM 1158 OD2 ASP A 78 2.868 -9.002 -7.900 1.00 0.00 O ATOM 0 H ASP A 78 4.750 -5.549 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 78 3.063 -6.210 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.779 -7.389 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.396 -5.992 -7.226 1.00 0.00 H new ATOM 1163 N ASN A 79 3.974 -8.327 -3.887 1.00 0.00 N ATOM 1164 CA ASN A 79 4.538 -9.543 -3.313 1.00 0.00 C ATOM 1165 C ASN A 79 6.063 -9.487 -3.311 1.00 0.00 C ATOM 1166 O ASN A 79 6.732 -10.464 -3.650 1.00 0.00 O ATOM 1167 CB ASN A 79 4.063 -10.769 -4.095 1.00 0.00 C ATOM 1168 CG ASN A 79 2.566 -10.984 -3.980 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.083 -11.549 -2.999 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.825 -10.533 -4.986 1.00 0.00 N ATOM 0 H ASN A 79 3.325 -7.833 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 79 4.193 -9.622 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.331 -10.653 -5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.584 -11.654 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.812 -10.649 -4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.269 -10.071 -5.779 1.00 0.00 H new ATOM 1177 N THR A 80 6.607 -8.337 -2.924 1.00 0.00 N ATOM 1178 CA THR A 80 8.052 -8.153 -2.878 1.00 0.00 C ATOM 1179 C THR A 80 8.566 -8.197 -1.443 1.00 0.00 C ATOM 1180 O THR A 80 7.877 -7.776 -0.514 1.00 0.00 O ATOM 1181 CB THR A 80 8.468 -6.816 -3.519 1.00 0.00 C ATOM 1182 OG1 THR A 80 8.022 -6.764 -4.878 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.978 -6.639 -3.469 1.00 0.00 C ATOM 0 H THR A 80 6.068 -7.519 -2.638 1.00 0.00 H new ATOM 0 HA THR A 80 8.494 -8.973 -3.445 1.00 0.00 H new ATOM 0 HB THR A 80 8.004 -6.008 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.638 -6.212 -5.404 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.248 -5.688 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.311 -6.649 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.458 -7.453 -4.012 1.00 0.00 H new ATOM 1191 N SER A 81 9.780 -8.710 -1.270 1.00 0.00 N ATOM 1192 CA SER A 81 10.385 -8.812 0.053 1.00 0.00 C ATOM 1193 C SER A 81 10.911 -7.456 0.516 1.00 0.00 C ATOM 1194 O SER A 81 11.521 -6.717 -0.258 1.00 0.00 O ATOM 1195 CB SER A 81 11.522 -9.835 0.039 1.00 0.00 C ATOM 1196 OG SER A 81 11.085 -11.075 -0.490 1.00 0.00 O ATOM 0 H SER A 81 10.364 -9.061 -2.029 1.00 0.00 H new ATOM 0 HA SER A 81 9.617 -9.142 0.752 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.351 -9.454 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.898 -9.980 1.052 1.00 0.00 H new ATOM 0 HG SER A 81 11.830 -11.711 -0.490 1.00 0.00 H new ATOM 1202 N LEU A 82 10.671 -7.137 1.783 1.00 0.00 N ATOM 1203 CA LEU A 82 11.120 -5.871 2.351 1.00 0.00 C ATOM 1204 C LEU A 82 12.480 -5.473 1.787 1.00 0.00 C ATOM 1205 O LEU A 82 12.656 -4.359 1.293 1.00 0.00 O ATOM 1206 CB LEU A 82 11.197 -5.972 3.875 1.00 0.00 C ATOM 1207 CG LEU A 82 11.815 -4.774 4.597 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.122 -3.486 4.184 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.739 -4.963 6.105 1.00 0.00 C ATOM 0 H LEU A 82 10.168 -7.738 2.436 1.00 0.00 H new ATOM 0 HA LEU A 82 10.396 -5.103 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.189 -6.122 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.772 -6.862 4.132 1.00 0.00 H new ATOM 0 HG LEU A 82 12.865 -4.705 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.575 -2.645 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.229 -3.344 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.064 -3.544 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.183 -4.101 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.696 -5.059 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.283 -5.865 6.387 1.00 0.00 H new ATOM 1221 N ALA A 83 13.438 -6.391 1.862 1.00 0.00 N ATOM 1222 CA ALA A 83 14.781 -6.137 1.355 1.00 0.00 C ATOM 1223 C ALA A 83 14.736 -5.583 -0.065 1.00 0.00 C ATOM 1224 O ALA A 83 15.364 -4.568 -0.365 1.00 0.00 O ATOM 1225 CB ALA A 83 15.612 -7.411 1.401 1.00 0.00 C ATOM 0 H ALA A 83 13.309 -7.317 2.269 1.00 0.00 H new ATOM 0 HA ALA A 83 15.249 -5.388 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.612 -7.207 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.681 -7.763 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.139 -8.177 0.786 1.00 0.00 H new ATOM 1231 N GLU A 84 13.990 -6.257 -0.935 1.00 0.00 N ATOM 1232 CA GLU A 84 13.866 -5.832 -2.324 1.00 0.00 C ATOM 1233 C GLU A 84 13.230 -4.448 -2.415 1.00 0.00 C ATOM 1234 O GLU A 84 13.688 -3.590 -3.169 1.00 0.00 O ATOM 1235 CB GLU A 84 13.033 -6.841 -3.117 1.00 0.00 C ATOM 1236 CG GLU A 84 13.850 -7.984 -3.695 1.00 0.00 C ATOM 1237 CD GLU A 84 13.158 -8.664 -4.861 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.117 -9.315 -4.637 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.659 -8.544 -5.999 1.00 0.00 O ATOM 0 H GLU A 84 13.463 -7.099 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 84 14.867 -5.782 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.259 -7.251 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.525 -6.321 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.818 -7.605 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.044 -8.719 -2.914 1.00 0.00 H new ATOM 1246 N ALA A 85 12.170 -4.238 -1.640 1.00 0.00 N ATOM 1247 CA ALA A 85 11.471 -2.959 -1.631 1.00 0.00 C ATOM 1248 C ALA A 85 12.418 -1.819 -1.269 1.00 0.00 C ATOM 1249 O ALA A 85 12.484 -0.809 -1.969 1.00 0.00 O ATOM 1250 CB ALA A 85 10.301 -3.004 -0.660 1.00 0.00 C ATOM 0 H ALA A 85 11.777 -4.938 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 85 11.089 -2.774 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.788 -2.042 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.606 -3.787 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.669 -3.215 0.344 1.00 0.00 H new ATOM 1256 N VAL A 86 13.148 -1.988 -0.172 1.00 0.00 N ATOM 1257 CA VAL A 86 14.091 -0.974 0.282 1.00 0.00 C ATOM 1258 C VAL A 86 15.144 -0.686 -0.782 1.00 0.00 C ATOM 1259 O VAL A 86 15.451 0.471 -1.068 1.00 0.00 O ATOM 1260 CB VAL A 86 14.797 -1.405 1.582 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.812 -0.356 2.012 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.777 -1.655 2.683 1.00 0.00 C ATOM 0 H VAL A 86 13.104 -2.818 0.419 1.00 0.00 H new ATOM 0 HA VAL A 86 13.514 -0.069 0.473 1.00 0.00 H new ATOM 0 HB VAL A 86 15.331 -2.336 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.300 -0.678 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.560 -0.231 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.304 0.593 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.292 -1.959 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.214 -0.741 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.093 -2.445 2.373 1.00 0.00 H new ATOM 1272 N GLU A 87 15.692 -1.746 -1.367 1.00 0.00 N ATOM 1273 CA GLU A 87 16.711 -1.606 -2.400 1.00 0.00 C ATOM 1274 C GLU A 87 16.162 -0.849 -3.606 1.00 0.00 C ATOM 1275 O GLU A 87 16.890 -0.114 -4.274 1.00 0.00 O ATOM 1276 CB GLU A 87 17.220 -2.982 -2.836 1.00 0.00 C ATOM 1277 CG GLU A 87 18.380 -3.495 -2.000 1.00 0.00 C ATOM 1278 CD GLU A 87 19.287 -4.432 -2.774 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.617 -4.115 -3.935 1.00 0.00 O ATOM 1280 OE2 GLU A 87 19.667 -5.483 -2.216 1.00 0.00 O ATOM 0 H GLU A 87 15.447 -2.711 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 87 17.540 -1.036 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.400 -3.698 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.530 -2.931 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.963 -2.649 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.990 -4.014 -1.124 1.00 0.00 H new ATOM 1287 N ILE A 88 14.875 -1.035 -3.878 1.00 0.00 N ATOM 1288 CA ILE A 88 14.229 -0.370 -5.003 1.00 0.00 C ATOM 1289 C ILE A 88 14.106 1.130 -4.757 1.00 0.00 C ATOM 1290 O ILE A 88 14.302 1.938 -5.666 1.00 0.00 O ATOM 1291 CB ILE A 88 12.828 -0.951 -5.271 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.941 -2.331 -5.923 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.023 -0.008 -6.152 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.791 -3.254 -5.587 1.00 0.00 C ATOM 0 H ILE A 88 14.259 -1.640 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 88 14.858 -0.543 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 88 12.308 -1.060 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.995 -2.209 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.875 -2.797 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.035 -0.433 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.918 0.955 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.538 0.130 -7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.938 -4.213 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.750 -3.406 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.856 -2.809 -5.927 1.00 0.00 H new ATOM 1306 N LEU A 89 13.781 1.497 -3.522 1.00 0.00 N ATOM 1307 CA LEU A 89 13.633 2.901 -3.155 1.00 0.00 C ATOM 1308 C LEU A 89 14.989 3.598 -3.110 1.00 0.00 C ATOM 1309 O LEU A 89 15.080 4.815 -3.272 1.00 0.00 O ATOM 1310 CB LEU A 89 12.939 3.024 -1.798 1.00 0.00 C ATOM 1311 CG LEU A 89 11.412 3.100 -1.829 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.837 2.850 -0.444 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.956 4.450 -2.363 1.00 0.00 C ATOM 0 H LEU A 89 13.615 0.842 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 89 13.020 3.386 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.228 2.170 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.317 3.916 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 89 11.042 2.324 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.749 2.908 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.135 1.859 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.214 3.603 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.867 4.486 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.337 5.243 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.338 4.589 -3.375 1.00 0.00 H new ATOM 1325 N LYS A 90 16.042 2.817 -2.892 1.00 0.00 N ATOM 1326 CA LYS A 90 17.395 3.357 -2.829 1.00 0.00 C ATOM 1327 C LYS A 90 18.012 3.442 -4.222 1.00 0.00 C ATOM 1328 O LYS A 90 18.813 4.334 -4.503 1.00 0.00 O ATOM 1329 CB LYS A 90 18.272 2.489 -1.924 1.00 0.00 C ATOM 1330 CG LYS A 90 17.907 2.583 -0.453 1.00 0.00 C ATOM 1331 CD LYS A 90 18.583 1.492 0.361 1.00 0.00 C ATOM 1332 CE LYS A 90 18.642 1.853 1.837 1.00 0.00 C ATOM 1333 NZ LYS A 90 19.431 3.093 2.073 1.00 0.00 N ATOM 0 H LYS A 90 15.984 1.808 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 90 17.338 4.363 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.193 1.450 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.314 2.783 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.198 3.560 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.826 2.505 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.041 0.555 0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.593 1.329 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.630 1.988 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.086 1.028 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.822 3.078 3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.209 3.146 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.814 3.923 1.962 1.00 0.00 H new ATOM 1347 N ALA A 91 17.634 2.510 -5.090 1.00 0.00 N ATOM 1348 CA ALA A 91 18.148 2.482 -6.454 1.00 0.00 C ATOM 1349 C ALA A 91 17.424 3.496 -7.334 1.00 0.00 C ATOM 1350 O ALA A 91 17.923 3.884 -8.390 1.00 0.00 O ATOM 1351 CB ALA A 91 18.016 1.084 -7.039 1.00 0.00 C ATOM 0 H ALA A 91 16.973 1.764 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 91 19.203 2.753 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.404 1.078 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.584 0.380 -6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.966 0.791 -7.049 1.00 0.00 H new ATOM 1357 N VAL A 92 16.244 3.921 -6.892 1.00 0.00 N ATOM 1358 CA VAL A 92 15.452 4.890 -7.639 1.00 0.00 C ATOM 1359 C VAL A 92 16.178 6.227 -7.747 1.00 0.00 C ATOM 1360 O VAL A 92 16.752 6.729 -6.780 1.00 0.00 O ATOM 1361 CB VAL A 92 14.077 5.116 -6.983 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.232 5.832 -5.650 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.165 5.899 -7.915 1.00 0.00 C ATOM 0 H VAL A 92 15.816 3.609 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 92 15.306 4.478 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 92 13.619 4.145 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.250 5.983 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.847 5.229 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.710 6.798 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.198 6.050 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.615 6.867 -8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.028 5.342 -8.842 1.00 0.00 H new ATOM 1373 N PRO A 93 16.152 6.819 -8.950 1.00 0.00 N ATOM 1374 CA PRO A 93 16.801 8.106 -9.213 1.00 0.00 C ATOM 1375 C PRO A 93 16.094 9.265 -8.519 1.00 0.00 C ATOM 1376 O PRO A 93 14.905 9.199 -8.205 1.00 0.00 O ATOM 1377 CB PRO A 93 16.700 8.251 -10.733 1.00 0.00 C ATOM 1378 CG PRO A 93 15.518 7.427 -11.114 1.00 0.00 C ATOM 1379 CD PRO A 93 15.486 6.277 -10.147 1.00 0.00 C ATOM 0 HA PRO A 93 17.823 8.131 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.566 9.293 -11.023 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.605 7.896 -11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.600 8.011 -11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.605 7.071 -12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.465 5.962 -9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.012 5.407 -10.540 1.00 0.00 H new ATOM 1387 N PRO A 94 16.839 10.353 -8.273 1.00 0.00 N ATOM 1388 CA PRO A 94 16.302 11.548 -7.615 1.00 0.00 C ATOM 1389 C PRO A 94 15.315 12.303 -8.498 1.00 0.00 C ATOM 1390 O PRO A 94 15.158 11.990 -9.678 1.00 0.00 O ATOM 1391 CB PRO A 94 17.548 12.399 -7.356 1.00 0.00 C ATOM 1392 CG PRO A 94 18.527 11.963 -8.390 1.00 0.00 C ATOM 1393 CD PRO A 94 18.262 10.501 -8.620 1.00 0.00 C ATOM 0 HA PRO A 94 15.743 11.300 -6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.326 13.463 -7.444 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.936 12.237 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.401 12.532 -9.311 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.550 12.126 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.455 10.216 -9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.896 9.874 -7.993 1.00 0.00 H new ATOM 1401 N GLY A 95 14.652 13.299 -7.919 1.00 0.00 N ATOM 1402 CA GLY A 95 13.689 14.084 -8.670 1.00 0.00 C ATOM 1403 C GLY A 95 12.265 13.609 -8.458 1.00 0.00 C ATOM 1404 O GLY A 95 11.964 12.949 -7.462 1.00 0.00 O ATOM 0 H GLY A 95 14.764 13.577 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.768 15.130 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.932 14.033 -9.731 1.00 0.00 H new ATOM 1408 N LEU A 96 11.385 13.947 -9.394 1.00 0.00 N ATOM 1409 CA LEU A 96 9.984 13.553 -9.306 1.00 0.00 C ATOM 1410 C LEU A 96 9.854 12.049 -9.084 1.00 0.00 C ATOM 1411 O LEU A 96 10.495 11.252 -9.768 1.00 0.00 O ATOM 1412 CB LEU A 96 9.238 13.958 -10.578 1.00 0.00 C ATOM 1413 CG LEU A 96 7.711 13.938 -10.496 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.217 12.561 -10.082 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.214 14.999 -9.525 1.00 0.00 C ATOM 0 H LEU A 96 11.618 14.494 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 96 9.541 14.068 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.554 14.964 -10.856 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.547 13.293 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 96 7.311 14.163 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.128 12.566 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.541 11.822 -10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.627 12.306 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.125 14.970 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.624 14.805 -8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.537 15.983 -9.865 1.00 0.00 H new ATOM 1427 N VAL A 97 9.018 11.668 -8.123 1.00 0.00 N ATOM 1428 CA VAL A 97 8.801 10.260 -7.813 1.00 0.00 C ATOM 1429 C VAL A 97 7.329 9.887 -7.954 1.00 0.00 C ATOM 1430 O VAL A 97 6.507 10.228 -7.103 1.00 0.00 O ATOM 1431 CB VAL A 97 9.271 9.921 -6.386 1.00 0.00 C ATOM 1432 CG1 VAL A 97 8.982 8.463 -6.060 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.752 10.227 -6.226 1.00 0.00 C ATOM 0 H VAL A 97 8.480 12.315 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 97 9.389 9.684 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 97 8.717 10.543 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.321 8.242 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.910 8.280 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.508 7.821 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.067 9.981 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.325 9.633 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.927 11.286 -6.414 1.00 0.00 H new ATOM 1443 N HIS A 98 7.004 9.182 -9.033 1.00 0.00 N ATOM 1444 CA HIS A 98 5.631 8.761 -9.285 1.00 0.00 C ATOM 1445 C HIS A 98 5.369 7.380 -8.693 1.00 0.00 C ATOM 1446 O HIS A 98 5.666 6.359 -9.314 1.00 0.00 O ATOM 1447 CB HIS A 98 5.347 8.746 -10.788 1.00 0.00 C ATOM 1448 CG HIS A 98 5.073 10.103 -11.359 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.725 10.599 -12.468 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.209 11.069 -10.969 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.276 11.812 -12.735 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.354 12.121 -11.840 1.00 0.00 N ATOM 0 H HIS A 98 7.672 8.891 -9.746 1.00 0.00 H new ATOM 0 HA HIS A 98 4.964 9.476 -8.804 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.200 8.308 -11.306 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.491 8.100 -10.981 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.532 11.021 -10.129 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.606 12.444 -13.546 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.835 12.998 -11.802 1.00 0.00 H new ATOM 1461 N LEU A 99 4.811 7.355 -7.487 1.00 0.00 N ATOM 1462 CA LEU A 99 4.510 6.099 -6.809 1.00 0.00 C ATOM 1463 C LEU A 99 3.037 6.030 -6.419 1.00 0.00 C ATOM 1464 O LEU A 99 2.471 7.001 -5.919 1.00 0.00 O ATOM 1465 CB LEU A 99 5.386 5.944 -5.565 1.00 0.00 C ATOM 1466 CG LEU A 99 5.330 7.093 -4.558 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.239 6.848 -3.528 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.679 7.271 -3.876 1.00 0.00 C ATOM 0 H LEU A 99 4.558 8.190 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 99 4.723 5.283 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.098 5.025 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.420 5.819 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 99 5.093 8.011 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.214 7.676 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.275 6.772 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.444 5.920 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.620 8.093 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.945 6.354 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.439 7.494 -4.625 1.00 0.00 H new ATOM 1480 N GLY A 100 2.421 4.874 -6.650 1.00 0.00 N ATOM 1481 CA GLY A 100 1.020 4.700 -6.315 1.00 0.00 C ATOM 1482 C GLY A 100 0.817 4.278 -4.873 1.00 0.00 C ATOM 1483 O GLY A 100 1.670 3.607 -4.290 1.00 0.00 O ATOM 0 H GLY A 100 2.868 4.055 -7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.488 5.634 -6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.582 3.951 -6.975 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.313 4.672 -4.296 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.624 4.330 -2.914 1.00 0.00 C ATOM 1489 C ILE A 101 -1.992 3.665 -2.807 1.00 0.00 C ATOM 1490 O ILE A 101 -2.812 3.757 -3.721 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.599 5.575 -2.007 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.753 6.284 -2.115 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.885 5.185 -0.565 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.930 5.395 -1.782 1.00 0.00 C ATOM 0 H ILE A 101 -1.028 5.228 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 101 0.144 3.632 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.377 6.264 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.873 6.667 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.757 7.144 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.864 6.075 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.869 4.720 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.128 4.480 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.855 5.964 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.834 5.032 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.951 4.548 -2.467 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.232 2.997 -1.684 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.502 2.316 -1.456 1.00 0.00 C ATOM 1508 C CYS A 102 -4.101 2.720 -0.113 1.00 0.00 C ATOM 1509 O CYS A 102 -3.620 2.307 0.942 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.308 0.800 -1.507 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.491 0.088 -3.159 1.00 0.00 S ATOM 0 H CYS A 102 -1.564 2.912 -0.917 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.193 2.613 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.315 0.558 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.029 0.329 -0.838 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.307 -1.198 -3.100 1.00 0.00 H new ATOM 1517 N SER A 103 -5.154 3.530 -0.160 1.00 0.00 N ATOM 1518 CA SER A 103 -5.816 3.993 1.054 1.00 0.00 C ATOM 1519 C SER A 103 -6.089 2.830 2.003 1.00 0.00 C ATOM 1520 O SER A 103 -6.805 1.890 1.661 1.00 0.00 O ATOM 1521 CB SER A 103 -7.128 4.700 0.706 1.00 0.00 C ATOM 1522 OG SER A 103 -6.886 5.912 0.013 1.00 0.00 O ATOM 0 H SER A 103 -5.567 3.879 -1.025 1.00 0.00 H new ATOM 0 HA SER A 103 -5.152 4.698 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.747 4.044 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.688 4.905 1.619 1.00 0.00 H new ATOM 0 HG SER A 103 -7.740 6.344 -0.199 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.510 2.902 3.198 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.701 1.849 4.179 1.00 0.00 C ATOM 1530 C GLY A 104 -6.028 2.392 5.556 1.00 0.00 C ATOM 1531 O GLY A 104 -6.509 3.515 5.705 1.00 0.00 O ATOM 0 H GLY A 104 -4.913 3.670 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.506 1.192 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.798 1.242 4.236 1.00 0.00 H new