USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 40 CYS SG : rot -3:sc= -7.59! USER MOD Set 1.2: B 40 CYS SG : rot 1:sc= -11.8! USER MOD Set 2.1: A 22 HIS : no HD1:sc= -6.17! C(o=-6.7!,f=-8!) USER MOD Set 2.2: A 26 MET CE :methyl 138:sc= -0.5 (180deg=-1.89!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.293 X(o=0.29,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.00889 (180deg=-0.149) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= 1.2 (180deg=1.02) USER MOD Single : A 33 ASN : amide:sc= -1.18! K(o=-1.2!,f=-0.056) USER MOD Single : A 35 THR OG1 : rot -65:sc= 1.14 USER MOD Single : A 37 SER OG : rot -90:sc= 0.605! USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= -0.0234 (180deg=-0.155) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.17 K(o=1.2,f=-0.053) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0.444 X(o=0.44,f=-0.032) USER MOD Single : B 22 HIS : no HE2:sc= -3.74! C(o=-3.7!,f=-3.8!) USER MOD Single : B 26 MET CE :methyl -144:sc= 0 (180deg=-1.17) USER MOD Single : B 30 LYS NZ :NH3+ -168:sc=-0.00727 (180deg=-0.185) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 THR OG1 : rot -105:sc= 1.71 USER MOD Single : B 37 SER OG : rot -137:sc= 1.19 USER MOD Single : B 45 LYS NZ :NH3+ -162:sc= -0.125 (180deg=-0.521) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 1.22 K(o=1.2,f=-0.023) USER MOD Single : B 51 HIS : no HD1:sc= 0.549 K(o=0.55,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -8.437 8.466 -0.132 1.00 0.00 N ATOM 151 CA ILE A 11 -8.015 9.518 0.790 1.00 0.00 C ATOM 152 C ILE A 11 -6.489 9.545 0.888 1.00 0.00 C ATOM 153 O ILE A 11 -5.832 8.534 0.626 1.00 0.00 O ATOM 154 CB ILE A 11 -8.634 9.288 2.199 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.147 9.054 2.102 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.348 10.453 3.140 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.914 10.218 1.509 1.00 0.00 C ATOM 0 HA ILE A 11 -8.366 10.477 0.408 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.163 8.396 2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.329 8.166 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.537 8.845 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.797 10.254 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.271 10.572 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.772 11.368 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.976 9.974 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.765 11.104 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.554 10.414 0.499 1.00 0.00 H new ATOM 169 N LYS A 12 -5.930 10.682 1.293 1.00 0.00 N ATOM 170 CA LYS A 12 -4.481 10.857 1.329 1.00 0.00 C ATOM 171 C LYS A 12 -3.945 10.653 2.737 1.00 0.00 C ATOM 172 O LYS A 12 -4.404 11.280 3.692 1.00 0.00 O ATOM 173 CB LYS A 12 -4.107 12.261 0.844 1.00 0.00 C ATOM 174 CG LYS A 12 -2.622 12.595 0.954 1.00 0.00 C ATOM 175 CD LYS A 12 -1.780 11.819 -0.046 1.00 0.00 C ATOM 176 CE LYS A 12 -0.312 12.203 0.057 1.00 0.00 C ATOM 177 NZ LYS A 12 0.514 11.592 -1.019 1.00 0.00 N ATOM 0 H LYS A 12 -6.460 11.497 1.601 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.035 10.111 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.414 12.366 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.674 12.993 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.479 13.664 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.276 12.375 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.892 10.750 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.140 12.013 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.220 13.288 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.074 11.892 1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.505 11.884 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.450 10.556 -0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.165 11.908 -1.946 1.00 0.00 H new ATOM 191 N LEU A 13 -2.981 9.757 2.846 1.00 0.00 N ATOM 192 CA LEU A 13 -2.344 9.440 4.111 1.00 0.00 C ATOM 193 C LEU A 13 -0.834 9.428 3.941 1.00 0.00 C ATOM 194 O LEU A 13 -0.327 9.417 2.818 1.00 0.00 O ATOM 195 CB LEU A 13 -2.829 8.084 4.643 1.00 0.00 C ATOM 196 CG LEU A 13 -2.828 6.932 3.630 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.722 5.598 4.349 1.00 0.00 C ATOM 198 CD2 LEU A 13 -4.093 6.970 2.779 1.00 0.00 C ATOM 0 H LEU A 13 -2.616 9.226 2.055 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.616 10.206 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.201 7.801 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.842 8.206 5.025 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.964 7.048 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.722 4.790 3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.796 5.567 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.571 5.479 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.076 6.146 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.968 6.875 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.140 7.916 2.240 1.00 0.00 H new ATOM 210 N GLY A 14 -0.119 9.430 5.048 1.00 0.00 N ATOM 211 CA GLY A 14 1.322 9.459 4.988 1.00 0.00 C ATOM 212 C GLY A 14 1.951 8.583 6.047 1.00 0.00 C ATOM 213 O GLY A 14 1.565 8.635 7.215 1.00 0.00 O ATOM 0 H GLY A 14 -0.511 9.412 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.650 9.129 4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.669 10.485 5.113 1.00 0.00 H new ATOM 217 N VAL A 15 2.896 7.759 5.629 1.00 0.00 N ATOM 218 CA VAL A 15 3.595 6.861 6.533 1.00 0.00 C ATOM 219 C VAL A 15 5.035 7.344 6.728 1.00 0.00 C ATOM 220 O VAL A 15 5.552 8.111 5.911 1.00 0.00 O ATOM 221 CB VAL A 15 3.592 5.408 5.986 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.081 4.422 7.035 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.205 5.019 5.492 1.00 0.00 C ATOM 0 H VAL A 15 3.200 7.693 4.658 1.00 0.00 H new ATOM 0 HA VAL A 15 3.077 6.864 7.492 1.00 0.00 H new ATOM 0 HB VAL A 15 4.282 5.370 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.067 3.414 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.098 4.679 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.429 4.465 7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.227 3.997 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.494 5.086 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.900 5.695 4.693 1.00 0.00 H new ATOM 233 N TYR A 16 5.666 6.910 7.810 1.00 0.00 N ATOM 234 CA TYR A 16 7.042 7.281 8.105 1.00 0.00 C ATOM 235 C TYR A 16 7.804 6.051 8.576 1.00 0.00 C ATOM 236 O TYR A 16 7.460 5.458 9.599 1.00 0.00 O ATOM 237 CB TYR A 16 7.074 8.353 9.192 1.00 0.00 C ATOM 238 CG TYR A 16 8.171 9.374 9.013 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.397 9.953 7.777 1.00 0.00 C ATOM 240 CD2 TYR A 16 8.969 9.770 10.079 1.00 0.00 C ATOM 241 CE1 TYR A 16 9.382 10.899 7.600 1.00 0.00 C ATOM 242 CE2 TYR A 16 9.962 10.718 9.911 1.00 0.00 C ATOM 243 CZ TYR A 16 10.164 11.280 8.667 1.00 0.00 C ATOM 244 OH TYR A 16 11.141 12.235 8.491 1.00 0.00 O ATOM 0 H TYR A 16 5.241 6.295 8.504 1.00 0.00 H new ATOM 0 HA TYR A 16 7.509 7.679 7.204 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.113 8.867 9.210 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.196 7.870 10.161 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.789 9.657 6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.812 9.331 11.053 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.540 11.341 6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.575 11.017 10.748 1.00 0.00 H new ATOM 0 HH TYR A 16 11.603 12.391 9.341 1.00 0.00 H new ATOM 254 N ILE A 17 8.826 5.661 7.829 1.00 0.00 N ATOM 255 CA ILE A 17 9.550 4.426 8.122 1.00 0.00 C ATOM 256 C ILE A 17 11.056 4.618 7.953 1.00 0.00 C ATOM 257 O ILE A 17 11.491 5.585 7.327 1.00 0.00 O ATOM 258 CB ILE A 17 9.079 3.252 7.230 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.509 3.444 5.775 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.571 3.087 7.309 1.00 0.00 C ATOM 261 CD1 ILE A 17 9.125 2.277 4.895 1.00 0.00 C ATOM 0 H ILE A 17 9.174 6.176 7.020 1.00 0.00 H new ATOM 0 HA ILE A 17 9.332 4.177 9.161 1.00 0.00 H new ATOM 0 HB ILE A 17 9.555 2.347 7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.055 4.354 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.589 3.584 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.262 2.256 6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.281 2.884 8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.087 4.003 6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.455 2.467 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.600 1.369 5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.042 2.151 4.909 1.00 0.00 H new ATOM 273 N PRO A 18 11.870 3.691 8.502 1.00 0.00 N ATOM 274 CA PRO A 18 13.338 3.790 8.470 1.00 0.00 C ATOM 275 C PRO A 18 13.904 3.808 7.049 1.00 0.00 C ATOM 276 O PRO A 18 13.336 3.224 6.119 1.00 0.00 O ATOM 277 CB PRO A 18 13.804 2.523 9.201 1.00 0.00 C ATOM 278 CG PRO A 18 12.631 2.084 10.004 1.00 0.00 C ATOM 279 CD PRO A 18 11.429 2.463 9.194 1.00 0.00 C ATOM 0 HA PRO A 18 13.680 4.720 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.110 1.751 8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.663 2.730 9.839 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.659 1.010 10.186 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.618 2.572 10.979 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.154 1.679 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.558 2.645 9.824 1.00 0.00 H new ATOM 287 N GLN A 19 15.044 4.487 6.907 1.00 0.00 N ATOM 288 CA GLN A 19 15.714 4.646 5.620 1.00 0.00 C ATOM 289 C GLN A 19 16.055 3.302 4.984 1.00 0.00 C ATOM 290 O GLN A 19 16.067 3.184 3.765 1.00 0.00 O ATOM 291 CB GLN A 19 16.997 5.468 5.773 1.00 0.00 C ATOM 292 CG GLN A 19 18.005 4.855 6.733 1.00 0.00 C ATOM 293 CD GLN A 19 19.436 5.032 6.262 1.00 0.00 C ATOM 294 OE1 GLN A 19 20.086 6.030 6.566 1.00 0.00 O ATOM 295 NE2 GLN A 19 19.944 4.050 5.531 1.00 0.00 N ATOM 0 H GLN A 19 15.527 4.941 7.682 1.00 0.00 H new ATOM 0 HA GLN A 19 15.017 5.170 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.464 5.582 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.738 6.468 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.890 5.312 7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.792 3.792 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.372 3.238 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 19 20.907 4.106 5.200 1.00 0.00 H new ATOM 304 N GLU A 20 16.346 2.299 5.813 1.00 0.00 N ATOM 305 CA GLU A 20 16.697 0.968 5.321 1.00 0.00 C ATOM 306 C GLU A 20 15.612 0.410 4.406 1.00 0.00 C ATOM 307 O GLU A 20 15.903 -0.126 3.332 1.00 0.00 O ATOM 308 CB GLU A 20 16.955 0.016 6.489 1.00 0.00 C ATOM 309 CG GLU A 20 18.201 0.376 7.283 1.00 0.00 C ATOM 310 CD GLU A 20 19.459 0.290 6.447 1.00 0.00 C ATOM 311 OE1 GLU A 20 19.723 1.223 5.662 1.00 0.00 O ATOM 312 OE2 GLU A 20 20.191 -0.712 6.563 1.00 0.00 O ATOM 0 H GLU A 20 16.345 2.384 6.829 1.00 0.00 H new ATOM 0 HA GLU A 20 17.612 1.059 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.092 0.023 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.055 -1.000 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.098 1.387 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.290 -0.293 8.139 1.00 0.00 H new ATOM 319 N TRP A 21 14.360 0.604 4.792 1.00 0.00 N ATOM 320 CA TRP A 21 13.257 0.102 3.998 1.00 0.00 C ATOM 321 C TRP A 21 13.064 0.992 2.795 1.00 0.00 C ATOM 322 O TRP A 21 13.004 0.512 1.676 1.00 0.00 O ATOM 323 CB TRP A 21 11.953 0.099 4.785 1.00 0.00 C ATOM 324 CG TRP A 21 11.847 -0.933 5.857 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.694 -1.968 6.132 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.784 -1.022 6.792 1.00 0.00 C ATOM 327 NE1 TRP A 21 12.213 -2.690 7.202 1.00 0.00 N ATOM 328 CE2 TRP A 21 11.037 -2.120 7.624 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.640 -0.257 7.005 1.00 0.00 C ATOM 330 CZ2 TRP A 21 10.172 -2.474 8.657 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.787 -0.605 8.020 1.00 0.00 C ATOM 332 CH2 TRP A 21 9.054 -1.698 8.837 1.00 0.00 C ATOM 0 H TRP A 21 14.088 1.100 5.641 1.00 0.00 H new ATOM 0 HA TRP A 21 13.501 -0.919 3.706 1.00 0.00 H new ATOM 0 HB2 TRP A 21 11.821 1.082 5.238 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.129 -0.043 4.086 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.603 -2.187 5.592 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.657 -3.512 7.613 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.428 0.598 6.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 10.373 -3.325 9.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.894 -0.021 8.188 1.00 0.00 H new ATOM 0 HH2 TRP A 21 8.365 -1.942 9.632 1.00 0.00 H new ATOM 343 N HIS A 22 12.999 2.293 3.044 1.00 0.00 N ATOM 344 CA HIS A 22 12.758 3.277 1.994 1.00 0.00 C ATOM 345 C HIS A 22 13.766 3.111 0.859 1.00 0.00 C ATOM 346 O HIS A 22 13.418 3.229 -0.314 1.00 0.00 O ATOM 347 CB HIS A 22 12.855 4.687 2.581 1.00 0.00 C ATOM 348 CG HIS A 22 12.058 5.722 1.847 1.00 0.00 C ATOM 349 ND1 HIS A 22 12.567 6.493 0.827 1.00 0.00 N ATOM 350 CD2 HIS A 22 10.783 6.138 2.030 1.00 0.00 C ATOM 351 CE1 HIS A 22 11.643 7.343 0.418 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.548 7.153 1.132 1.00 0.00 N ATOM 0 H HIS A 22 13.111 2.696 3.974 1.00 0.00 H new ATOM 0 HA HIS A 22 11.758 3.121 1.589 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.522 4.659 3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.901 4.992 2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.079 5.745 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 22 11.763 8.072 -0.369 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.675 7.672 1.034 1.00 0.00 H new ATOM 361 N ASP A 23 15.011 2.826 1.232 1.00 0.00 N ATOM 362 CA ASP A 23 16.098 2.620 0.277 1.00 0.00 C ATOM 363 C ASP A 23 15.832 1.411 -0.618 1.00 0.00 C ATOM 364 O ASP A 23 15.866 1.514 -1.849 1.00 0.00 O ATOM 365 CB ASP A 23 17.413 2.419 1.033 1.00 0.00 C ATOM 366 CG ASP A 23 18.625 2.428 0.125 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.022 1.349 -0.360 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.200 3.517 -0.088 1.00 0.00 O ATOM 0 H ASP A 23 15.296 2.731 2.207 1.00 0.00 H new ATOM 0 HA ASP A 23 16.164 3.504 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.520 3.205 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.376 1.471 1.570 1.00 0.00 H new ATOM 373 N ARG A 24 15.539 0.270 0.006 1.00 0.00 N ATOM 374 CA ARG A 24 15.354 -0.976 -0.740 1.00 0.00 C ATOM 375 C ARG A 24 14.013 -0.981 -1.464 1.00 0.00 C ATOM 376 O ARG A 24 13.868 -1.614 -2.509 1.00 0.00 O ATOM 377 CB ARG A 24 15.450 -2.201 0.183 1.00 0.00 C ATOM 378 CG ARG A 24 16.872 -2.612 0.565 1.00 0.00 C ATOM 379 CD ARG A 24 17.615 -1.507 1.297 1.00 0.00 C ATOM 380 NE ARG A 24 18.754 -2.009 2.065 1.00 0.00 N ATOM 381 CZ ARG A 24 19.378 -1.313 3.018 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.042 -0.050 3.260 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.352 -1.877 3.716 1.00 0.00 N ATOM 0 H ARG A 24 15.425 0.182 1.016 1.00 0.00 H new ATOM 0 HA ARG A 24 16.155 -1.035 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.890 -1.995 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.963 -3.045 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.834 -3.500 1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.424 -2.883 -0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.965 -0.769 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.926 -0.994 1.968 1.00 0.00 H new ATOM 0 HE ARG A 24 19.092 -2.949 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.302 0.394 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.524 0.475 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.624 -2.841 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.830 -1.347 4.445 1.00 0.00 H new ATOM 397 N LEU A 25 13.043 -0.260 -0.916 1.00 0.00 N ATOM 398 CA LEU A 25 11.742 -0.118 -1.553 1.00 0.00 C ATOM 399 C LEU A 25 11.893 0.607 -2.873 1.00 0.00 C ATOM 400 O LEU A 25 11.264 0.246 -3.853 1.00 0.00 O ATOM 401 CB LEU A 25 10.769 0.655 -0.663 1.00 0.00 C ATOM 402 CG LEU A 25 10.335 -0.059 0.620 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.377 0.816 1.415 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.688 -1.397 0.295 1.00 0.00 C ATOM 0 H LEU A 25 13.134 0.236 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 25 11.340 -1.117 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.230 1.605 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.878 0.889 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 25 11.221 -0.245 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.077 0.295 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.872 1.751 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.495 1.030 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.386 -1.889 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.812 -1.235 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.402 -2.027 -0.235 1.00 0.00 H new ATOM 416 N MET A 26 12.730 1.637 -2.882 1.00 0.00 N ATOM 417 CA MET A 26 13.020 2.384 -4.098 1.00 0.00 C ATOM 418 C MET A 26 13.675 1.495 -5.148 1.00 0.00 C ATOM 419 O MET A 26 13.372 1.597 -6.336 1.00 0.00 O ATOM 420 CB MET A 26 13.919 3.571 -3.776 1.00 0.00 C ATOM 421 CG MET A 26 13.205 4.686 -3.038 1.00 0.00 C ATOM 422 SD MET A 26 12.119 5.643 -4.118 1.00 0.00 S ATOM 423 CE MET A 26 11.692 7.011 -3.046 1.00 0.00 C ATOM 0 H MET A 26 13.222 1.975 -2.055 1.00 0.00 H new ATOM 0 HA MET A 26 12.078 2.748 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.760 3.227 -3.174 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.332 3.966 -4.704 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.619 4.261 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.943 5.351 -2.588 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.715 7.940 -3.615 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.691 6.858 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.409 7.069 -2.227 1.00 0.00 H new ATOM 433 N GLU A 27 14.567 0.616 -4.705 1.00 0.00 N ATOM 434 CA GLU A 27 15.227 -0.315 -5.613 1.00 0.00 C ATOM 435 C GLU A 27 14.200 -1.264 -6.227 1.00 0.00 C ATOM 436 O GLU A 27 14.174 -1.479 -7.441 1.00 0.00 O ATOM 437 CB GLU A 27 16.312 -1.104 -4.871 1.00 0.00 C ATOM 438 CG GLU A 27 17.116 -2.035 -5.764 1.00 0.00 C ATOM 439 CD GLU A 27 17.838 -1.298 -6.875 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.843 -0.618 -6.583 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.413 -1.407 -8.043 1.00 0.00 O ATOM 0 H GLU A 27 14.849 0.528 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 27 15.702 0.251 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.992 -0.402 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.844 -1.690 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.844 -2.575 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.450 -2.779 -6.200 1.00 0.00 H new ATOM 448 N ILE A 28 13.337 -1.808 -5.380 1.00 0.00 N ATOM 449 CA ILE A 28 12.255 -2.670 -5.846 1.00 0.00 C ATOM 450 C ILE A 28 11.310 -1.884 -6.757 1.00 0.00 C ATOM 451 O ILE A 28 10.809 -2.405 -7.752 1.00 0.00 O ATOM 452 CB ILE A 28 11.457 -3.263 -4.661 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.379 -4.094 -3.762 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.291 -4.111 -5.162 1.00 0.00 C ATOM 455 CD1 ILE A 28 11.695 -4.626 -2.520 1.00 0.00 C ATOM 0 H ILE A 28 13.363 -1.670 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 28 12.702 -3.492 -6.405 1.00 0.00 H new ATOM 0 HB ILE A 28 11.049 -2.439 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.774 -4.932 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.230 -3.482 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.745 -4.517 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.622 -3.493 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.672 -4.929 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.407 -5.204 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.324 -3.792 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.861 -5.265 -2.810 1.00 0.00 H new ATOM 467 N ALA A 29 11.104 -0.620 -6.415 1.00 0.00 N ATOM 468 CA ALA A 29 10.201 0.258 -7.147 1.00 0.00 C ATOM 469 C ALA A 29 10.674 0.494 -8.574 1.00 0.00 C ATOM 470 O ALA A 29 9.870 0.758 -9.464 1.00 0.00 O ATOM 471 CB ALA A 29 10.051 1.581 -6.414 1.00 0.00 C ATOM 0 H ALA A 29 11.560 -0.173 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 29 9.231 -0.235 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.374 2.230 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.646 1.401 -5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.025 2.062 -6.328 1.00 0.00 H new ATOM 477 N LYS A 30 11.975 0.385 -8.795 1.00 0.00 N ATOM 478 CA LYS A 30 12.527 0.569 -10.129 1.00 0.00 C ATOM 479 C LYS A 30 12.322 -0.691 -10.949 1.00 0.00 C ATOM 480 O LYS A 30 11.851 -0.644 -12.084 1.00 0.00 O ATOM 481 CB LYS A 30 14.023 0.881 -10.060 1.00 0.00 C ATOM 482 CG LYS A 30 14.354 2.144 -9.286 1.00 0.00 C ATOM 483 CD LYS A 30 15.857 2.327 -9.151 1.00 0.00 C ATOM 484 CE LYS A 30 16.200 3.611 -8.420 1.00 0.00 C ATOM 485 NZ LYS A 30 15.805 4.816 -9.196 1.00 0.00 N ATOM 0 H LYS A 30 12.664 0.172 -8.074 1.00 0.00 H new ATOM 0 HA LYS A 30 12.011 1.407 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.539 0.039 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.411 0.976 -11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.924 3.008 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.900 2.097 -8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.281 1.478 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.313 2.338 -10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.698 3.622 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.272 3.641 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.233 5.661 -8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.136 4.721 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.769 4.910 -9.188 1.00 0.00 H new ATOM 499 N GLU A 31 12.672 -1.815 -10.354 1.00 0.00 N ATOM 500 CA GLU A 31 12.558 -3.105 -11.010 1.00 0.00 C ATOM 501 C GLU A 31 11.089 -3.429 -11.310 1.00 0.00 C ATOM 502 O GLU A 31 10.753 -3.911 -12.389 1.00 0.00 O ATOM 503 CB GLU A 31 13.189 -4.177 -10.116 1.00 0.00 C ATOM 504 CG GLU A 31 13.878 -5.310 -10.868 1.00 0.00 C ATOM 505 CD GLU A 31 12.918 -6.330 -11.439 1.00 0.00 C ATOM 506 OE1 GLU A 31 12.484 -7.227 -10.688 1.00 0.00 O ATOM 507 OE2 GLU A 31 12.610 -6.258 -12.646 1.00 0.00 O ATOM 0 H GLU A 31 13.043 -1.861 -9.405 1.00 0.00 H new ATOM 0 HA GLU A 31 13.088 -3.080 -11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.916 -3.700 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.413 -4.601 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.472 -4.888 -11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.571 -5.813 -10.194 1.00 0.00 H new ATOM 514 N LYS A 32 10.214 -3.132 -10.354 1.00 0.00 N ATOM 515 CA LYS A 32 8.796 -3.472 -10.469 1.00 0.00 C ATOM 516 C LYS A 32 7.967 -2.310 -11.020 1.00 0.00 C ATOM 517 O LYS A 32 6.788 -2.478 -11.329 1.00 0.00 O ATOM 518 CB LYS A 32 8.232 -3.898 -9.107 1.00 0.00 C ATOM 519 CG LYS A 32 8.397 -5.379 -8.786 1.00 0.00 C ATOM 520 CD LYS A 32 9.855 -5.805 -8.716 1.00 0.00 C ATOM 521 CE LYS A 32 9.981 -7.279 -8.357 1.00 0.00 C ATOM 522 NZ LYS A 32 11.396 -7.730 -8.358 1.00 0.00 N ATOM 0 H LYS A 32 10.461 -2.655 -9.487 1.00 0.00 H new ATOM 0 HA LYS A 32 8.726 -4.301 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.721 -3.314 -8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.171 -3.649 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.913 -5.596 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.886 -5.970 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.337 -5.619 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.378 -5.201 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.546 -7.451 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.409 -7.876 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.474 -8.630 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.717 -7.863 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.989 -7.013 -7.894 1.00 0.00 H new ATOM 536 N ASN A 33 8.593 -1.137 -11.131 1.00 0.00 N ATOM 537 CA ASN A 33 7.936 0.074 -11.653 1.00 0.00 C ATOM 538 C ASN A 33 6.747 0.489 -10.786 1.00 0.00 C ATOM 539 O ASN A 33 5.736 0.983 -11.283 1.00 0.00 O ATOM 540 CB ASN A 33 7.491 -0.120 -13.108 1.00 0.00 C ATOM 541 CG ASN A 33 8.655 -0.164 -14.081 1.00 0.00 C ATOM 542 OD1 ASN A 33 8.617 -0.891 -15.075 1.00 0.00 O ATOM 543 ND2 ASN A 33 9.688 0.628 -13.826 1.00 0.00 N ATOM 0 H ASN A 33 9.567 -0.994 -10.864 1.00 0.00 H new ATOM 0 HA ASN A 33 8.673 0.876 -11.621 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.922 -1.046 -13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.820 0.692 -13.389 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.485 0.648 -14.463 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.686 1.217 -12.993 1.00 0.00 H new ATOM 550 N LEU A 34 6.892 0.303 -9.487 1.00 0.00 N ATOM 551 CA LEU A 34 5.850 0.646 -8.529 1.00 0.00 C ATOM 552 C LEU A 34 6.276 1.858 -7.719 1.00 0.00 C ATOM 553 O LEU A 34 7.438 2.249 -7.752 1.00 0.00 O ATOM 554 CB LEU A 34 5.592 -0.533 -7.585 1.00 0.00 C ATOM 555 CG LEU A 34 5.028 -1.791 -8.245 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.991 -2.942 -7.251 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.636 -1.526 -8.795 1.00 0.00 C ATOM 0 H LEU A 34 7.733 -0.089 -9.064 1.00 0.00 H new ATOM 0 HA LEU A 34 4.934 0.875 -9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.528 -0.792 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.899 -0.209 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 34 5.682 -2.067 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.587 -3.830 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.001 -3.150 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.359 -2.672 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.250 -2.433 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.975 -1.226 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.684 -0.729 -9.537 1.00 0.00 H new ATOM 569 N THR A 35 5.343 2.469 -7.013 1.00 0.00 N ATOM 570 CA THR A 35 5.696 3.527 -6.091 1.00 0.00 C ATOM 571 C THR A 35 5.588 3.011 -4.663 1.00 0.00 C ATOM 572 O THR A 35 4.911 2.011 -4.421 1.00 0.00 O ATOM 573 CB THR A 35 4.813 4.780 -6.263 1.00 0.00 C ATOM 574 OG1 THR A 35 3.448 4.483 -5.936 1.00 0.00 O ATOM 575 CG2 THR A 35 4.896 5.303 -7.689 1.00 0.00 C ATOM 0 H THR A 35 4.347 2.253 -7.060 1.00 0.00 H new ATOM 0 HA THR A 35 6.721 3.825 -6.310 1.00 0.00 H new ATOM 0 HB THR A 35 5.182 5.548 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.093 3.832 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.266 6.187 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.928 5.565 -7.921 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.553 4.533 -8.380 1.00 0.00 H new ATOM 583 N LEU A 36 6.251 3.668 -3.724 1.00 0.00 N ATOM 584 CA LEU A 36 6.215 3.235 -2.329 1.00 0.00 C ATOM 585 C LEU A 36 4.786 3.267 -1.802 1.00 0.00 C ATOM 586 O LEU A 36 4.395 2.444 -0.970 1.00 0.00 O ATOM 587 CB LEU A 36 7.129 4.116 -1.481 1.00 0.00 C ATOM 588 CG LEU A 36 8.541 4.299 -2.041 1.00 0.00 C ATOM 589 CD1 LEU A 36 9.429 4.983 -1.021 1.00 0.00 C ATOM 590 CD2 LEU A 36 9.140 2.964 -2.458 1.00 0.00 C ATOM 0 H LEU A 36 6.818 4.498 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 36 6.576 2.208 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.666 5.097 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.202 3.685 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 36 8.475 4.931 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.430 5.106 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.015 5.961 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.482 4.375 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.144 3.123 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.190 2.302 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.516 2.509 -3.227 1.00 0.00 H new ATOM 602 N SER A 37 4.011 4.213 -2.312 1.00 0.00 N ATOM 603 CA SER A 37 2.597 4.298 -2.008 1.00 0.00 C ATOM 604 C SER A 37 1.900 2.989 -2.378 1.00 0.00 C ATOM 605 O SER A 37 1.141 2.424 -1.584 1.00 0.00 O ATOM 606 CB SER A 37 1.994 5.460 -2.790 1.00 0.00 C ATOM 607 OG SER A 37 2.863 6.582 -2.760 1.00 0.00 O ATOM 0 H SER A 37 4.346 4.939 -2.945 1.00 0.00 H new ATOM 0 HA SER A 37 2.459 4.467 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.815 5.158 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.027 5.730 -2.365 1.00 0.00 H new ATOM 0 HG SER A 37 2.643 7.146 -1.989 1.00 0.00 H new ATOM 613 N ASP A 38 2.197 2.495 -3.580 1.00 0.00 N ATOM 614 CA ASP A 38 1.611 1.251 -4.063 1.00 0.00 C ATOM 615 C ASP A 38 2.047 0.090 -3.191 1.00 0.00 C ATOM 616 O ASP A 38 1.236 -0.749 -2.827 1.00 0.00 O ATOM 617 CB ASP A 38 2.016 0.958 -5.515 1.00 0.00 C ATOM 618 CG ASP A 38 1.497 1.980 -6.502 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.266 2.181 -6.570 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.323 2.570 -7.231 1.00 0.00 O ATOM 0 H ASP A 38 2.840 2.940 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 38 0.528 1.368 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.103 0.920 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.646 -0.028 -5.796 1.00 0.00 H new ATOM 625 N VAL A 39 3.325 0.067 -2.833 1.00 0.00 N ATOM 626 CA VAL A 39 3.900 -1.057 -2.102 1.00 0.00 C ATOM 627 C VAL A 39 3.230 -1.255 -0.743 1.00 0.00 C ATOM 628 O VAL A 39 2.861 -2.372 -0.394 1.00 0.00 O ATOM 629 CB VAL A 39 5.425 -0.879 -1.902 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.016 -2.054 -1.129 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.129 -0.717 -3.244 1.00 0.00 C ATOM 0 H VAL A 39 3.986 0.817 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 39 3.721 -1.944 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 39 5.583 0.027 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.088 -1.904 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.541 -2.121 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.842 -2.977 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.200 -0.593 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.955 -1.603 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.736 0.161 -3.757 1.00 0.00 H new ATOM 641 N CYS A 40 3.061 -0.175 0.011 1.00 0.00 N ATOM 642 CA CYS A 40 2.494 -0.266 1.355 1.00 0.00 C ATOM 643 C CYS A 40 1.016 -0.681 1.294 1.00 0.00 C ATOM 644 O CYS A 40 0.585 -1.591 2.003 1.00 0.00 O ATOM 645 CB CYS A 40 2.670 1.080 2.081 1.00 0.00 C ATOM 646 SG CYS A 40 3.005 0.953 3.846 1.00 0.00 S ATOM 0 H CYS A 40 3.307 0.771 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 40 3.024 -1.035 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.487 1.626 1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.767 1.673 1.939 1.00 0.00 H new ATOM 0 HG CYS A 40 2.982 -0.297 4.203 1.00 0.00 H new ATOM 652 N ARG A 41 0.246 0.015 0.467 1.00 0.00 N ATOM 653 CA ARG A 41 -1.122 -0.376 0.130 1.00 0.00 C ATOM 654 C ARG A 41 -1.210 -1.861 -0.278 1.00 0.00 C ATOM 655 O ARG A 41 -1.968 -2.637 0.313 1.00 0.00 O ATOM 656 CB ARG A 41 -1.614 0.533 -1.011 1.00 0.00 C ATOM 657 CG ARG A 41 -2.938 0.122 -1.632 1.00 0.00 C ATOM 658 CD ARG A 41 -2.748 -0.426 -3.042 1.00 0.00 C ATOM 659 NE ARG A 41 -2.118 0.552 -3.941 1.00 0.00 N ATOM 660 CZ ARG A 41 -2.736 1.631 -4.438 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.992 1.900 -4.103 1.00 0.00 N ATOM 662 NH2 ARG A 41 -2.098 2.441 -5.274 1.00 0.00 N ATOM 0 H ARG A 41 0.553 0.872 0.007 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.756 -0.257 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.708 1.550 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.854 0.554 -1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.415 -0.634 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.609 0.980 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.134 -1.326 -3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.716 -0.719 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.145 0.398 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.492 1.283 -3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.457 2.724 -4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.134 2.243 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.572 3.262 -5.650 1.00 0.00 H new ATOM 676 N LEU A 42 -0.409 -2.266 -1.251 1.00 0.00 N ATOM 677 CA LEU A 42 -0.433 -3.647 -1.738 1.00 0.00 C ATOM 678 C LEU A 42 0.032 -4.602 -0.648 1.00 0.00 C ATOM 679 O LEU A 42 -0.290 -5.790 -0.665 1.00 0.00 O ATOM 680 CB LEU A 42 0.457 -3.806 -2.975 1.00 0.00 C ATOM 681 CG LEU A 42 0.029 -2.994 -4.197 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.054 -3.138 -5.313 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.348 -3.429 -4.675 1.00 0.00 C ATOM 0 H LEU A 42 0.266 -1.664 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.460 -3.888 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.475 -3.521 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.483 -4.860 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.027 -1.944 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.736 -2.554 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.022 -2.776 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.139 -4.187 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.634 -2.839 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.323 -4.485 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.075 -3.276 -3.878 1.00 0.00 H new ATOM 695 N ALA A 43 0.767 -4.064 0.312 1.00 0.00 N ATOM 696 CA ALA A 43 1.251 -4.847 1.427 1.00 0.00 C ATOM 697 C ALA A 43 0.105 -5.212 2.361 1.00 0.00 C ATOM 698 O ALA A 43 0.081 -6.302 2.928 1.00 0.00 O ATOM 699 CB ALA A 43 2.336 -4.100 2.175 1.00 0.00 C ATOM 0 H ALA A 43 1.040 -3.082 0.337 1.00 0.00 H new ATOM 0 HA ALA A 43 1.682 -5.769 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.686 -4.707 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.168 -3.896 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.936 -3.159 2.553 1.00 0.00 H new ATOM 705 N ILE A 44 -0.857 -4.301 2.508 1.00 0.00 N ATOM 706 CA ILE A 44 -2.027 -4.569 3.331 1.00 0.00 C ATOM 707 C ILE A 44 -2.864 -5.647 2.672 1.00 0.00 C ATOM 708 O ILE A 44 -3.458 -6.486 3.344 1.00 0.00 O ATOM 709 CB ILE A 44 -2.890 -3.307 3.575 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.076 -2.248 4.321 1.00 0.00 C ATOM 711 CG2 ILE A 44 -4.148 -3.658 4.361 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.905 -1.091 4.850 1.00 0.00 C ATOM 0 H ILE A 44 -0.846 -3.380 2.070 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.673 -4.902 4.307 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.192 -2.903 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.559 -2.723 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.309 -1.856 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.740 -2.757 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.737 -4.384 3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.868 -4.084 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.255 -0.384 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.401 -0.589 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.655 -1.469 5.545 1.00 0.00 H new ATOM 724 N LYS A 45 -2.888 -5.631 1.348 1.00 0.00 N ATOM 725 CA LYS A 45 -3.555 -6.682 0.594 1.00 0.00 C ATOM 726 C LYS A 45 -2.971 -8.050 0.960 1.00 0.00 C ATOM 727 O LYS A 45 -3.706 -9.021 1.160 1.00 0.00 O ATOM 728 CB LYS A 45 -3.417 -6.434 -0.909 1.00 0.00 C ATOM 729 CG LYS A 45 -4.108 -7.482 -1.762 1.00 0.00 C ATOM 730 CD LYS A 45 -5.619 -7.431 -1.603 1.00 0.00 C ATOM 731 CE LYS A 45 -6.293 -8.602 -2.301 1.00 0.00 C ATOM 732 NZ LYS A 45 -5.935 -8.676 -3.742 1.00 0.00 N ATOM 0 H LYS A 45 -2.456 -4.906 0.776 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.614 -6.672 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.830 -5.454 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.359 -6.406 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.847 -7.328 -2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.746 -8.472 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.875 -7.441 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.998 -6.495 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.006 -9.531 -1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.374 -8.509 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.517 -9.401 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.107 -7.753 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.930 -8.926 -3.838 1.00 0.00 H new ATOM 746 N GLU A 46 -1.645 -8.107 1.069 1.00 0.00 N ATOM 747 CA GLU A 46 -0.956 -9.335 1.445 1.00 0.00 C ATOM 748 C GLU A 46 -1.237 -9.651 2.907 1.00 0.00 C ATOM 749 O GLU A 46 -1.389 -10.810 3.300 1.00 0.00 O ATOM 750 CB GLU A 46 0.554 -9.182 1.245 1.00 0.00 C ATOM 751 CG GLU A 46 0.957 -8.722 -0.144 1.00 0.00 C ATOM 752 CD GLU A 46 0.653 -9.746 -1.215 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.515 -10.613 -1.465 1.00 0.00 O ATOM 754 OE2 GLU A 46 -0.439 -9.685 -1.817 1.00 0.00 O ATOM 0 H GLU A 46 -1.027 -7.313 0.901 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.319 -10.146 0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.935 -8.469 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.035 -10.138 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.437 -7.793 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.024 -8.501 -0.152 1.00 0.00 H new ATOM 761 N TYR A 47 -1.316 -8.596 3.704 1.00 0.00 N ATOM 762 CA TYR A 47 -1.546 -8.718 5.132 1.00 0.00 C ATOM 763 C TYR A 47 -2.909 -9.344 5.400 1.00 0.00 C ATOM 764 O TYR A 47 -3.028 -10.275 6.197 1.00 0.00 O ATOM 765 CB TYR A 47 -1.458 -7.339 5.799 1.00 0.00 C ATOM 766 CG TYR A 47 -1.494 -7.377 7.313 1.00 0.00 C ATOM 767 CD1 TYR A 47 -2.695 -7.313 8.010 1.00 0.00 C ATOM 768 CD2 TYR A 47 -0.319 -7.483 8.043 1.00 0.00 C ATOM 769 CE1 TYR A 47 -2.720 -7.350 9.394 1.00 0.00 C ATOM 770 CE2 TYR A 47 -0.335 -7.521 9.425 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.537 -7.457 10.096 1.00 0.00 C ATOM 772 OH TYR A 47 -1.554 -7.496 11.472 1.00 0.00 O ATOM 0 H TYR A 47 -1.222 -7.634 3.378 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.778 -9.365 5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.536 -6.852 5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.283 -6.722 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.623 -7.233 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.626 -7.537 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.661 -7.295 9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.590 -7.600 9.976 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.637 -7.574 11.808 1.00 0.00 H new ATOM 782 N LEU A 48 -3.924 -8.842 4.711 1.00 0.00 N ATOM 783 CA LEU A 48 -5.285 -9.323 4.888 1.00 0.00 C ATOM 784 C LEU A 48 -5.398 -10.777 4.469 1.00 0.00 C ATOM 785 O LEU A 48 -5.953 -11.596 5.192 1.00 0.00 O ATOM 786 CB LEU A 48 -6.269 -8.476 4.072 1.00 0.00 C ATOM 787 CG LEU A 48 -6.271 -6.979 4.392 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.255 -6.247 3.494 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.608 -6.745 5.855 1.00 0.00 C ATOM 0 H LEU A 48 -3.828 -8.097 4.020 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.535 -9.238 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.041 -8.603 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.275 -8.865 4.230 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.272 -6.585 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.245 -5.184 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.969 -6.387 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.257 -6.645 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.604 -5.675 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.595 -7.153 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.866 -7.239 6.483 1.00 0.00 H new ATOM 801 N ASP A 49 -4.846 -11.094 3.312 1.00 0.00 N ATOM 802 CA ASP A 49 -4.930 -12.441 2.769 1.00 0.00 C ATOM 803 C ASP A 49 -4.256 -13.461 3.681 1.00 0.00 C ATOM 804 O ASP A 49 -4.794 -14.539 3.922 1.00 0.00 O ATOM 805 CB ASP A 49 -4.298 -12.486 1.382 1.00 0.00 C ATOM 806 CG ASP A 49 -4.359 -13.872 0.772 1.00 0.00 C ATOM 807 OD1 ASP A 49 -5.429 -14.255 0.258 1.00 0.00 O ATOM 808 OD2 ASP A 49 -3.337 -14.590 0.811 1.00 0.00 O ATOM 0 H ASP A 49 -4.332 -10.435 2.727 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.985 -12.704 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.810 -11.780 0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.259 -12.165 1.447 1.00 0.00 H new ATOM 813 N ASN A 50 -3.091 -13.104 4.207 1.00 0.00 N ATOM 814 CA ASN A 50 -2.293 -14.043 4.992 1.00 0.00 C ATOM 815 C ASN A 50 -2.810 -14.179 6.419 1.00 0.00 C ATOM 816 O ASN A 50 -2.622 -15.217 7.054 1.00 0.00 O ATOM 817 CB ASN A 50 -0.819 -13.626 5.008 1.00 0.00 C ATOM 818 CG ASN A 50 -0.091 -14.023 3.736 1.00 0.00 C ATOM 819 OD1 ASN A 50 0.447 -15.123 3.636 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.064 -13.131 2.759 1.00 0.00 N ATOM 0 H ASN A 50 -2.678 -12.177 4.106 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.383 -15.016 4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.751 -12.546 5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.324 -14.084 5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.415 -13.346 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.523 -12.228 2.880 1.00 0.00 H new ATOM 1084 N GLY B 10 14.787 8.211 8.563 1.00 0.00 N ATOM 1085 CA GLY B 10 13.498 7.756 8.109 1.00 0.00 C ATOM 1086 C GLY B 10 12.953 8.687 7.056 1.00 0.00 C ATOM 1087 O GLY B 10 13.126 9.903 7.153 1.00 0.00 O ATOM 0 HA2 GLY B 10 13.583 6.748 7.703 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.807 7.704 8.950 1.00 0.00 H new ATOM 1091 N ILE B 11 12.314 8.126 6.046 1.00 0.00 N ATOM 1092 CA ILE B 11 11.901 8.897 4.882 1.00 0.00 C ATOM 1093 C ILE B 11 10.381 8.816 4.729 1.00 0.00 C ATOM 1094 O ILE B 11 9.744 7.926 5.301 1.00 0.00 O ATOM 1095 CB ILE B 11 12.588 8.371 3.595 1.00 0.00 C ATOM 1096 CG1 ILE B 11 14.020 7.896 3.880 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.609 9.446 2.516 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.966 8.998 4.309 1.00 0.00 C ATOM 0 H ILE B 11 12.068 7.137 6.006 1.00 0.00 H new ATOM 0 HA ILE B 11 12.201 9.934 5.029 1.00 0.00 H new ATOM 0 HB ILE B 11 12.006 7.521 3.240 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.990 7.135 4.659 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.418 7.419 2.984 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.095 9.055 1.622 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.587 9.739 2.274 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.159 10.314 2.878 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.955 8.578 4.490 1.00 0.00 H new ATOM 0 HD12 ILE B 11 15.029 9.750 3.522 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.595 9.460 5.224 1.00 0.00 H new ATOM 1110 N LYS B 12 9.808 9.720 3.944 1.00 0.00 N ATOM 1111 CA LYS B 12 8.360 9.834 3.838 1.00 0.00 C ATOM 1112 C LYS B 12 7.854 9.131 2.585 1.00 0.00 C ATOM 1113 O LYS B 12 8.521 9.115 1.546 1.00 0.00 O ATOM 1114 CB LYS B 12 7.955 11.313 3.785 1.00 0.00 C ATOM 1115 CG LYS B 12 6.459 11.562 3.919 1.00 0.00 C ATOM 1116 CD LYS B 12 5.988 11.392 5.353 1.00 0.00 C ATOM 1117 CE LYS B 12 4.508 11.717 5.496 1.00 0.00 C ATOM 1118 NZ LYS B 12 4.087 11.798 6.919 1.00 0.00 N ATOM 0 H LYS B 12 10.326 10.386 3.371 1.00 0.00 H new ATOM 0 HA LYS B 12 7.916 9.361 4.713 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.472 11.847 4.582 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.298 11.737 2.841 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.226 12.570 3.576 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.916 10.872 3.273 1.00 0.00 H new ATOM 0 HD2 LYS B 12 6.170 10.367 5.678 1.00 0.00 H new ATOM 0 HD3 LYS B 12 6.569 12.042 6.007 1.00 0.00 H new ATOM 0 HE2 LYS B 12 4.296 12.665 5.002 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.919 10.954 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 3.072 12.021 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.264 10.886 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.629 12.544 7.400 1.00 0.00 H new ATOM 1132 N LEU B 13 6.694 8.507 2.716 1.00 0.00 N ATOM 1133 CA LEU B 13 6.023 7.865 1.600 1.00 0.00 C ATOM 1134 C LEU B 13 4.515 8.080 1.706 1.00 0.00 C ATOM 1135 O LEU B 13 3.893 7.687 2.692 1.00 0.00 O ATOM 1136 CB LEU B 13 6.363 6.366 1.544 1.00 0.00 C ATOM 1137 CG LEU B 13 6.167 5.575 2.846 1.00 0.00 C ATOM 1138 CD1 LEU B 13 6.038 4.090 2.543 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.332 5.802 3.803 1.00 0.00 C ATOM 0 H LEU B 13 6.192 8.432 3.601 1.00 0.00 H new ATOM 0 HA LEU B 13 6.375 8.318 0.673 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.751 5.905 0.768 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.403 6.262 1.234 1.00 0.00 H new ATOM 0 HG LEU B 13 5.252 5.929 3.321 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.899 3.539 3.474 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.179 3.925 1.892 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.943 3.740 2.046 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.169 5.231 4.717 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.259 5.475 3.332 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.402 6.862 4.045 1.00 0.00 H new ATOM 1151 N GLY B 14 3.936 8.722 0.704 1.00 0.00 N ATOM 1152 CA GLY B 14 2.518 9.019 0.741 1.00 0.00 C ATOM 1153 C GLY B 14 1.709 8.077 -0.122 1.00 0.00 C ATOM 1154 O GLY B 14 1.865 8.049 -1.341 1.00 0.00 O ATOM 0 H GLY B 14 4.421 9.043 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.164 8.959 1.770 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.355 10.044 0.407 1.00 0.00 H new ATOM 1158 N VAL B 15 0.831 7.317 0.509 1.00 0.00 N ATOM 1159 CA VAL B 15 0.062 6.294 -0.181 1.00 0.00 C ATOM 1160 C VAL B 15 -1.387 6.749 -0.378 1.00 0.00 C ATOM 1161 O VAL B 15 -1.903 7.552 0.401 1.00 0.00 O ATOM 1162 CB VAL B 15 0.099 4.959 0.613 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.641 3.857 -0.123 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.534 4.538 0.889 1.00 0.00 C ATOM 0 H VAL B 15 0.631 7.390 1.507 1.00 0.00 H new ATOM 0 HA VAL B 15 0.512 6.132 -1.161 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.406 5.127 1.564 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.596 2.937 0.459 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.682 4.148 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.177 3.694 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.538 3.601 1.446 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.061 4.401 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.033 5.310 1.474 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.013 6.284 -1.454 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.450 6.455 -1.643 1.00 0.00 C ATOM 1176 C TYR B 16 -4.151 5.126 -1.484 1.00 0.00 C ATOM 1177 O TYR B 16 -3.758 4.137 -2.105 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.791 7.018 -3.019 1.00 0.00 C ATOM 1179 CG TYR B 16 -3.880 8.518 -3.066 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.984 9.168 -2.537 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -2.880 9.283 -3.645 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.095 10.536 -2.581 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -2.980 10.657 -3.692 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.091 11.281 -3.159 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.196 12.651 -3.208 1.00 0.00 O ATOM 0 H TYR B 16 -1.546 5.784 -2.211 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.786 7.165 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.036 6.687 -3.732 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.743 6.598 -3.345 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.772 8.587 -2.081 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.012 8.797 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.964 11.025 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.193 11.243 -4.144 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.403 13.024 -3.647 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.179 5.096 -0.654 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.951 3.879 -0.460 1.00 0.00 C ATOM 1197 C ILE B 17 -7.445 4.192 -0.411 1.00 0.00 C ATOM 1198 O ILE B 17 -7.852 5.266 0.051 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.523 3.101 0.810 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.852 3.878 2.084 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.035 2.775 0.760 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.500 3.125 3.349 1.00 0.00 C ATOM 0 H ILE B 17 -5.498 5.895 -0.106 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.747 3.236 -1.316 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.090 2.170 0.832 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.315 4.827 2.072 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.916 4.114 2.093 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.752 2.229 1.660 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.826 2.163 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.462 3.700 0.702 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.758 3.731 4.217 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.057 2.188 3.382 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.431 2.912 3.360 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.271 3.254 -0.903 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.722 3.440 -1.055 1.00 0.00 C ATOM 1216 C PRO B 18 -10.470 3.647 0.263 1.00 0.00 C ATOM 1217 O PRO B 18 -9.922 3.456 1.355 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.188 2.138 -1.718 1.00 0.00 C ATOM 1219 CG PRO B 18 -8.958 1.531 -2.294 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.843 1.930 -1.381 1.00 0.00 C ATOM 0 HA PRO B 18 -9.930 4.344 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.653 1.471 -0.992 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -10.930 2.334 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.047 0.446 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.782 1.891 -3.308 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.720 1.224 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.889 1.978 -1.905 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.738 4.022 0.140 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.603 4.259 1.289 1.00 0.00 C ATOM 1230 C GLN B 19 -12.874 2.959 2.041 1.00 0.00 C ATOM 1231 O GLN B 19 -12.905 2.944 3.276 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.922 4.890 0.828 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.922 5.129 1.948 1.00 0.00 C ATOM 1234 CD GLN B 19 -14.408 6.081 3.009 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -14.578 7.297 2.906 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -13.788 5.538 4.041 1.00 0.00 N ATOM 0 H GLN B 19 -12.195 4.170 -0.760 1.00 0.00 H new ATOM 0 HA GLN B 19 -12.097 4.945 1.968 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.706 5.840 0.339 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -14.379 4.243 0.079 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.844 5.529 1.525 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -15.172 4.176 2.414 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -13.667 4.526 4.089 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -13.430 6.130 4.790 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.050 1.871 1.291 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.269 0.548 1.880 1.00 0.00 C ATOM 1247 C GLU B 20 -12.138 0.190 2.836 1.00 0.00 C ATOM 1248 O GLU B 20 -12.338 -0.498 3.844 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.375 -0.512 0.783 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.508 -0.263 -0.199 1.00 0.00 C ATOM 1251 CD GLU B 20 -15.838 -0.045 0.490 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -16.299 -0.953 1.214 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -16.436 1.033 0.302 1.00 0.00 O ATOM 0 H GLU B 20 -13.045 1.879 0.271 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.204 0.576 2.439 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.433 -0.551 0.235 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.515 -1.489 1.246 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -14.271 0.610 -0.808 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -14.589 -1.112 -0.877 1.00 0.00 H new ATOM 1260 N TRP B 21 -10.962 0.721 2.547 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.793 0.474 3.363 1.00 0.00 C ATOM 1262 C TRP B 21 -9.868 1.299 4.630 1.00 0.00 C ATOM 1263 O TRP B 21 -9.701 0.780 5.723 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.533 0.861 2.604 1.00 0.00 C ATOM 1265 CG TRP B 21 -7.973 -0.203 1.716 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -8.646 -1.059 0.891 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.592 -0.489 1.550 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -7.749 -1.868 0.227 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -6.478 -1.532 0.617 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.438 0.045 2.113 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.238 -2.042 0.233 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.219 -0.455 1.734 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.122 -1.484 0.807 1.00 0.00 C ATOM 0 H TRP B 21 -10.795 1.330 1.746 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.761 -0.587 3.610 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.749 1.741 1.998 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.768 1.150 3.325 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -9.719 -1.096 0.776 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -7.991 -2.597 -0.444 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.501 0.842 2.839 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -5.159 -2.843 -0.487 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.319 -0.041 2.164 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.146 -1.854 0.531 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.154 2.586 4.478 1.00 0.00 N ATOM 1285 CA HIS B 22 -10.244 3.483 5.625 1.00 0.00 C ATOM 1286 C HIS B 22 -11.297 2.999 6.610 1.00 0.00 C ATOM 1287 O HIS B 22 -11.123 3.116 7.812 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.560 4.913 5.183 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.372 5.643 4.639 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.738 6.655 5.325 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.694 5.500 3.477 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.725 7.100 4.614 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.674 6.418 3.485 1.00 0.00 N ATOM 0 H HIS B 22 -10.327 3.031 3.577 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.273 3.481 6.121 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.340 4.886 4.422 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.961 5.468 6.032 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -9.012 7.005 6.243 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.915 4.795 2.690 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -7.049 7.890 4.905 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.375 2.441 6.084 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.456 1.918 6.910 1.00 0.00 C ATOM 1304 C ASP B 23 -12.968 0.770 7.808 1.00 0.00 C ATOM 1305 O ASP B 23 -12.926 0.893 9.046 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.601 1.453 6.004 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.816 0.973 6.770 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -16.462 1.791 7.454 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.153 -0.223 6.661 1.00 0.00 O ATOM 0 H ASP B 23 -12.527 2.337 5.081 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.813 2.710 7.567 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.894 2.275 5.350 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.243 0.647 5.363 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.543 -0.327 7.187 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.192 -1.524 7.949 1.00 0.00 C ATOM 1316 C ARG B 24 -10.844 -1.386 8.650 1.00 0.00 C ATOM 1317 O ARG B 24 -10.697 -1.816 9.793 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.197 -2.773 7.060 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.520 -3.525 7.081 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.599 -2.803 6.293 1.00 0.00 C ATOM 1321 NE ARG B 24 -14.508 -3.086 4.858 1.00 0.00 N ATOM 1322 CZ ARG B 24 -15.094 -2.362 3.904 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -15.797 -1.276 4.207 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -14.983 -2.734 2.635 1.00 0.00 N ATOM 0 H ARG B 24 -12.434 -0.413 6.177 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.958 -1.637 8.716 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.970 -2.481 6.035 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.401 -3.444 7.384 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.376 -4.523 6.667 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.848 -3.652 8.113 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -15.580 -3.103 6.661 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.512 -1.729 6.458 1.00 0.00 H new ATOM 0 HE ARG B 24 -13.957 -3.894 4.568 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.894 -0.986 5.180 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -16.240 -0.732 3.466 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -14.451 -3.570 2.393 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -15.429 -2.184 1.901 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.872 -0.769 7.989 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.542 -0.627 8.573 1.00 0.00 C ATOM 1340 C LEU B 25 -8.574 0.274 9.795 1.00 0.00 C ATOM 1341 O LEU B 25 -7.892 0.006 10.772 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.537 -0.079 7.557 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.175 -1.025 6.413 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.181 -0.352 5.483 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.601 -2.328 6.956 1.00 0.00 C ATOM 0 H LEU B 25 -9.976 -0.363 7.059 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.220 -1.624 8.876 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.941 0.839 7.131 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.623 0.190 8.086 1.00 0.00 H new ATOM 0 HG LEU B 25 -8.079 -1.261 5.852 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.927 -1.031 4.669 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.623 0.556 5.073 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.278 -0.097 6.038 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.349 -2.988 6.126 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.703 -2.116 7.536 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.340 -2.813 7.594 1.00 0.00 H new ATOM 1357 N MET B 26 -9.361 1.344 9.741 1.00 0.00 N ATOM 1358 CA MET B 26 -9.475 2.251 10.880 1.00 0.00 C ATOM 1359 C MET B 26 -10.107 1.570 12.085 1.00 0.00 C ATOM 1360 O MET B 26 -9.748 1.877 13.221 1.00 0.00 O ATOM 1361 CB MET B 26 -10.243 3.511 10.510 1.00 0.00 C ATOM 1362 CG MET B 26 -9.349 4.710 10.243 1.00 0.00 C ATOM 1363 SD MET B 26 -8.421 5.225 11.703 1.00 0.00 S ATOM 1364 CE MET B 26 -7.524 6.636 11.057 1.00 0.00 C ATOM 0 H MET B 26 -9.924 1.603 8.931 1.00 0.00 H new ATOM 0 HA MET B 26 -8.462 2.540 11.158 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.845 3.313 9.623 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.934 3.756 11.317 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.652 4.467 9.441 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.959 5.543 9.893 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.532 6.674 11.508 1.00 0.00 H new ATOM 0 HE2 MET B 26 -7.428 6.542 9.975 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.066 7.551 11.295 1.00 0.00 H new ATOM 1374 N GLU B 27 -11.037 0.644 11.857 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.575 -0.126 12.972 1.00 0.00 C ATOM 1376 C GLU B 27 -10.466 -0.961 13.608 1.00 0.00 C ATOM 1377 O GLU B 27 -10.330 -1.012 14.833 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.721 -1.042 12.538 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.312 -1.823 13.703 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.220 -2.952 13.271 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -13.729 -3.909 12.641 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.426 -2.901 13.577 1.00 0.00 O ATOM 0 H GLU B 27 -11.422 0.415 10.941 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.973 0.583 13.698 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.503 -0.444 12.071 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.359 -1.740 11.783 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -12.501 -2.230 14.307 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.872 -1.140 14.341 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.659 -1.592 12.762 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.541 -2.402 13.226 1.00 0.00 C ATOM 1391 C ILE B 28 -7.528 -1.522 13.952 1.00 0.00 C ATOM 1392 O ILE B 28 -6.942 -1.917 14.961 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.844 -3.120 12.046 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -8.839 -4.025 11.311 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.643 -3.925 12.534 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.260 -4.693 10.083 1.00 0.00 C ATOM 0 H ILE B 28 -9.760 -1.557 11.748 1.00 0.00 H new ATOM 0 HA ILE B 28 -8.932 -3.156 13.909 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.483 -2.364 11.349 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.194 -4.793 11.998 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.706 -3.434 11.017 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.169 -4.421 11.687 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -5.926 -3.256 13.011 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.975 -4.674 13.254 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.021 -5.317 9.615 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -7.930 -3.932 9.376 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.411 -5.312 10.372 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.363 -0.314 13.435 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.412 0.646 13.970 1.00 0.00 C ATOM 1410 C ALA B 29 -6.733 0.991 15.419 1.00 0.00 C ATOM 1411 O ALA B 29 -5.844 1.082 16.260 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.412 1.902 13.111 1.00 0.00 C ATOM 0 H ALA B 29 -7.887 0.028 12.630 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.419 0.197 13.949 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.698 2.619 13.515 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.129 1.645 12.090 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.409 2.343 13.111 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.007 1.134 15.724 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.413 1.541 17.058 1.00 0.00 C ATOM 1420 C LYS B 30 -8.368 0.356 18.004 1.00 0.00 C ATOM 1421 O LYS B 30 -7.969 0.481 19.162 1.00 0.00 O ATOM 1422 CB LYS B 30 -9.818 2.135 17.015 1.00 0.00 C ATOM 1423 CG LYS B 30 -9.939 3.296 16.042 1.00 0.00 C ATOM 1424 CD LYS B 30 -11.374 3.761 15.891 1.00 0.00 C ATOM 1425 CE LYS B 30 -11.482 4.919 14.908 1.00 0.00 C ATOM 1426 NZ LYS B 30 -10.735 6.120 15.374 1.00 0.00 N ATOM 0 H LYS B 30 -8.776 0.976 15.073 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.722 2.301 17.423 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.528 1.357 16.734 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.095 2.474 18.013 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.323 4.126 16.389 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.550 2.996 15.069 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -11.993 2.932 15.548 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -11.763 4.068 16.862 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.097 4.607 13.937 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.531 5.177 14.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -10.996 6.940 14.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.973 6.313 16.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -9.713 5.947 15.291 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.768 -0.794 17.495 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.749 -2.027 18.266 1.00 0.00 C ATOM 1442 C GLU B 31 -7.329 -2.459 18.643 1.00 0.00 C ATOM 1443 O GLU B 31 -7.076 -2.855 19.779 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.444 -3.139 17.482 1.00 0.00 C ATOM 1445 CG GLU B 31 -10.952 -3.138 17.646 1.00 0.00 C ATOM 1446 CD GLU B 31 -11.368 -3.532 19.047 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -11.479 -4.746 19.315 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -11.567 -2.637 19.894 1.00 0.00 O ATOM 0 H GLU B 31 -9.114 -0.902 16.541 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.285 -1.838 19.196 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -9.201 -3.035 16.425 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -9.051 -4.103 17.806 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -11.341 -2.146 17.417 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -11.396 -3.828 16.928 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.410 -2.385 17.685 1.00 0.00 N ATOM 1456 CA LYS B 32 -5.069 -2.934 17.865 1.00 0.00 C ATOM 1457 C LYS B 32 -4.059 -1.875 18.326 1.00 0.00 C ATOM 1458 O LYS B 32 -2.883 -2.185 18.536 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.588 -3.580 16.564 1.00 0.00 C ATOM 1460 CG LYS B 32 -5.562 -4.588 15.961 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.953 -5.694 16.934 1.00 0.00 C ATOM 1462 CE LYS B 32 -6.938 -6.657 16.285 1.00 0.00 C ATOM 1463 NZ LYS B 32 -7.404 -7.720 17.216 1.00 0.00 N ATOM 0 H LYS B 32 -6.569 -1.950 16.776 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.132 -3.686 18.651 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.398 -2.795 15.832 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.637 -4.079 16.751 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -6.461 -4.065 15.634 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -5.112 -5.034 15.074 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.063 -6.236 17.253 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.398 -5.258 17.828 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -7.799 -6.097 15.920 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.468 -7.121 15.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.072 -8.346 16.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.588 -8.275 17.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.878 -7.283 18.032 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.522 -0.627 18.456 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.670 0.506 18.864 1.00 0.00 C ATOM 1479 C ASN B 33 -2.655 0.846 17.775 1.00 0.00 C ATOM 1480 O ASN B 33 -1.449 0.929 18.023 1.00 0.00 O ATOM 1481 CB ASN B 33 -2.941 0.226 20.190 1.00 0.00 C ATOM 1482 CG ASN B 33 -3.884 0.083 21.369 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -4.254 1.067 22.009 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.257 -1.148 21.684 1.00 0.00 N ATOM 0 H ASN B 33 -5.494 -0.370 18.283 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.329 1.361 19.015 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.354 -0.687 20.089 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.239 1.036 20.390 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -4.872 -1.306 22.482 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -3.929 -1.938 21.129 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.168 1.057 16.572 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.359 1.338 15.393 1.00 0.00 C ATOM 1493 C LEU B 34 -2.988 2.469 14.585 1.00 0.00 C ATOM 1494 O LEU B 34 -4.116 2.872 14.852 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.247 0.084 14.521 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.523 -1.099 15.162 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.649 -2.334 14.286 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.058 -0.760 15.400 1.00 0.00 C ATOM 0 H LEU B 34 -4.170 1.038 16.384 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.362 1.639 15.716 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.251 -0.235 14.242 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.729 0.349 13.599 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.988 -1.310 16.125 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.128 -3.168 14.756 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.702 -2.587 14.163 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.207 -2.134 13.310 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.443 -1.613 15.857 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.420 -0.525 14.449 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.013 0.101 16.064 1.00 0.00 H new ATOM 1510 N THR B 35 -2.247 3.012 13.631 1.00 0.00 N ATOM 1511 CA THR B 35 -2.824 3.960 12.687 1.00 0.00 C ATOM 1512 C THR B 35 -2.870 3.324 11.307 1.00 0.00 C ATOM 1513 O THR B 35 -2.222 2.303 11.087 1.00 0.00 O ATOM 1514 CB THR B 35 -2.033 5.283 12.607 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.764 5.064 11.977 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.821 5.878 13.992 1.00 0.00 C ATOM 0 H THR B 35 -1.256 2.816 13.490 1.00 0.00 H new ATOM 0 HA THR B 35 -3.826 4.202 13.042 1.00 0.00 H new ATOM 0 HB THR B 35 -2.615 5.987 12.013 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.055 5.083 12.654 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.261 6.809 13.906 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.788 6.077 14.454 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.262 5.174 14.609 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.620 3.902 10.383 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.705 3.358 9.032 1.00 0.00 C ATOM 1526 C LEU B 36 -2.313 3.296 8.390 1.00 0.00 C ATOM 1527 O LEU B 36 -1.943 2.288 7.785 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.688 4.176 8.174 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.221 5.573 7.743 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.148 6.126 6.677 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.166 6.530 8.928 1.00 0.00 C ATOM 0 H LEU B 36 -4.176 4.742 10.539 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.091 2.340 9.090 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.918 3.601 7.277 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.619 4.284 8.731 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.214 5.479 7.336 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.808 7.118 6.378 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.143 5.464 5.811 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.160 6.194 7.075 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.832 7.510 8.589 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.158 6.618 9.371 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.469 6.147 9.673 1.00 0.00 H new ATOM 1543 N SER B 37 -1.539 4.365 8.557 1.00 0.00 N ATOM 1544 CA SER B 37 -0.160 4.405 8.085 1.00 0.00 C ATOM 1545 C SER B 37 0.672 3.309 8.748 1.00 0.00 C ATOM 1546 O SER B 37 1.467 2.634 8.090 1.00 0.00 O ATOM 1547 CB SER B 37 0.448 5.774 8.385 1.00 0.00 C ATOM 1548 OG SER B 37 -0.357 6.817 7.859 1.00 0.00 O ATOM 0 H SER B 37 -1.847 5.220 9.019 1.00 0.00 H new ATOM 0 HA SER B 37 -0.157 4.234 7.008 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.554 5.900 9.463 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.449 5.832 7.958 1.00 0.00 H new ATOM 0 HG SER B 37 0.215 7.490 7.435 1.00 0.00 H new ATOM 1554 N ASP B 38 0.474 3.131 10.053 1.00 0.00 N ATOM 1555 CA ASP B 38 1.203 2.113 10.801 1.00 0.00 C ATOM 1556 C ASP B 38 0.860 0.720 10.300 1.00 0.00 C ATOM 1557 O ASP B 38 1.747 -0.107 10.139 1.00 0.00 O ATOM 1558 CB ASP B 38 0.916 2.205 12.302 1.00 0.00 C ATOM 1559 CG ASP B 38 1.780 3.234 13.007 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.983 2.968 13.207 1.00 0.00 O ATOM 1561 OD2 ASP B 38 1.256 4.306 13.385 1.00 0.00 O ATOM 0 H ASP B 38 -0.183 3.677 10.611 1.00 0.00 H new ATOM 0 HA ASP B 38 2.265 2.298 10.641 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.134 2.456 12.451 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.078 1.228 12.758 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.418 0.472 10.033 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.860 -0.829 9.536 1.00 0.00 C ATOM 1568 C VAL B 39 -0.257 -1.114 8.161 1.00 0.00 C ATOM 1569 O VAL B 39 0.185 -2.230 7.887 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.402 -0.916 9.453 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.843 -2.255 8.880 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -3.029 -0.695 10.821 1.00 0.00 C ATOM 0 H VAL B 39 -1.167 1.154 10.152 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.513 -1.579 10.246 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.745 -0.128 8.783 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.931 -2.290 8.833 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.432 -2.375 7.878 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.482 -3.061 9.519 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -4.114 -0.761 10.739 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.671 -1.457 11.513 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.752 0.291 11.193 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.211 -0.094 7.315 1.00 0.00 N ATOM 1583 CA CYS B 40 0.339 -0.237 5.973 1.00 0.00 C ATOM 1584 C CYS B 40 1.841 -0.561 6.058 1.00 0.00 C ATOM 1585 O CYS B 40 2.333 -1.502 5.427 1.00 0.00 O ATOM 1586 CB CYS B 40 0.079 1.051 5.170 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.035 0.819 3.385 1.00 0.00 S ATOM 0 H CYS B 40 -0.548 0.843 7.534 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.151 -1.062 5.455 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.848 1.502 5.524 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.879 1.761 5.380 1.00 0.00 H new ATOM 0 HG CYS B 40 0.112 -0.441 3.101 1.00 0.00 H new ATOM 1593 N ARG B 41 2.559 0.237 6.838 1.00 0.00 N ATOM 1594 CA ARG B 41 3.961 -0.026 7.181 1.00 0.00 C ATOM 1595 C ARG B 41 4.162 -1.427 7.778 1.00 0.00 C ATOM 1596 O ARG B 41 5.107 -2.127 7.427 1.00 0.00 O ATOM 1597 CB ARG B 41 4.446 1.045 8.173 1.00 0.00 C ATOM 1598 CG ARG B 41 5.868 0.843 8.681 1.00 0.00 C ATOM 1599 CD ARG B 41 5.920 -0.010 9.945 1.00 0.00 C ATOM 1600 NE ARG B 41 5.258 0.640 11.079 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.598 0.457 12.360 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.603 -0.349 12.689 1.00 0.00 N ATOM 1603 NH2 ARG B 41 4.933 1.088 13.316 1.00 0.00 N ATOM 0 H ARG B 41 2.188 1.091 7.255 1.00 0.00 H new ATOM 0 HA ARG B 41 4.546 0.016 6.262 1.00 0.00 H new ATOM 0 HB2 ARG B 41 4.381 2.022 7.693 1.00 0.00 H new ATOM 0 HB3 ARG B 41 3.769 1.064 9.027 1.00 0.00 H new ATOM 0 HG2 ARG B 41 6.465 0.369 7.902 1.00 0.00 H new ATOM 0 HG3 ARG B 41 6.320 1.814 8.883 1.00 0.00 H new ATOM 0 HD2 ARG B 41 5.445 -0.972 9.752 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.960 -0.214 10.201 1.00 0.00 H new ATOM 0 HE ARG B 41 4.486 1.275 10.878 1.00 0.00 H new ATOM 0 HH11 ARG B 41 7.125 -0.837 11.961 1.00 0.00 H new ATOM 0 HH12 ARG B 41 6.852 -0.480 13.669 1.00 0.00 H new ATOM 0 HH21 ARG B 41 4.163 1.712 13.075 1.00 0.00 H new ATOM 0 HH22 ARG B 41 5.191 0.950 14.293 1.00 0.00 H new ATOM 1617 N LEU B 42 3.291 -1.833 8.686 1.00 0.00 N ATOM 1618 CA LEU B 42 3.418 -3.148 9.314 1.00 0.00 C ATOM 1619 C LEU B 42 3.172 -4.240 8.293 1.00 0.00 C ATOM 1620 O LEU B 42 3.657 -5.365 8.425 1.00 0.00 O ATOM 1621 CB LEU B 42 2.439 -3.299 10.479 1.00 0.00 C ATOM 1622 CG LEU B 42 2.720 -2.394 11.676 1.00 0.00 C ATOM 1623 CD1 LEU B 42 1.631 -2.544 12.719 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.080 -2.713 12.282 1.00 0.00 C ATOM 0 H LEU B 42 2.495 -1.282 9.006 1.00 0.00 H new ATOM 0 HA LEU B 42 4.432 -3.239 9.703 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.431 -3.095 10.117 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.453 -4.336 10.815 1.00 0.00 H new ATOM 0 HG LEU B 42 2.731 -1.361 11.329 1.00 0.00 H new ATOM 0 HD11 LEU B 42 1.846 -1.892 13.566 1.00 0.00 H new ATOM 0 HD12 LEU B 42 0.670 -2.269 12.284 1.00 0.00 H new ATOM 0 HD13 LEU B 42 1.592 -3.579 13.058 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.262 -2.057 13.134 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.096 -3.751 12.613 1.00 0.00 H new ATOM 0 HD23 LEU B 42 4.857 -2.559 11.533 1.00 0.00 H new ATOM 1636 N ALA B 43 2.433 -3.884 7.263 1.00 0.00 N ATOM 1637 CA ALA B 43 2.116 -4.802 6.200 1.00 0.00 C ATOM 1638 C ALA B 43 3.323 -5.051 5.302 1.00 0.00 C ATOM 1639 O ALA B 43 3.493 -6.158 4.806 1.00 0.00 O ATOM 1640 CB ALA B 43 0.936 -4.293 5.396 1.00 0.00 C ATOM 0 H ALA B 43 2.038 -2.951 7.143 1.00 0.00 H new ATOM 0 HA ALA B 43 1.841 -5.756 6.649 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.709 -4.998 4.596 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.068 -4.192 6.048 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.181 -3.322 4.965 1.00 0.00 H new ATOM 1646 N ILE B 44 4.165 -4.032 5.078 1.00 0.00 N ATOM 1647 CA ILE B 44 5.371 -4.236 4.272 1.00 0.00 C ATOM 1648 C ILE B 44 6.377 -5.069 5.050 1.00 0.00 C ATOM 1649 O ILE B 44 7.171 -5.806 4.471 1.00 0.00 O ATOM 1650 CB ILE B 44 6.044 -2.926 3.782 1.00 0.00 C ATOM 1651 CG1 ILE B 44 6.522 -2.062 4.949 1.00 0.00 C ATOM 1652 CG2 ILE B 44 5.094 -2.140 2.900 1.00 0.00 C ATOM 1653 CD1 ILE B 44 7.211 -0.782 4.517 1.00 0.00 C ATOM 0 H ILE B 44 4.037 -3.084 5.433 1.00 0.00 H new ATOM 0 HA ILE B 44 5.044 -4.760 3.374 1.00 0.00 H new ATOM 0 HB ILE B 44 6.921 -3.207 3.199 1.00 0.00 H new ATOM 0 HG12 ILE B 44 5.667 -1.810 5.577 1.00 0.00 H new ATOM 0 HG13 ILE B 44 7.209 -2.644 5.563 1.00 0.00 H new ATOM 0 HG21 ILE B 44 5.582 -1.225 2.565 1.00 0.00 H new ATOM 0 HG22 ILE B 44 4.819 -2.742 2.034 1.00 0.00 H new ATOM 0 HG23 ILE B 44 4.197 -1.887 3.466 1.00 0.00 H new ATOM 0 HD11 ILE B 44 7.522 -0.221 5.398 1.00 0.00 H new ATOM 0 HD12 ILE B 44 8.086 -1.025 3.914 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.521 -0.178 3.928 1.00 0.00 H new ATOM 1665 N LYS B 45 6.334 -4.941 6.371 1.00 0.00 N ATOM 1666 CA LYS B 45 7.127 -5.788 7.246 1.00 0.00 C ATOM 1667 C LYS B 45 6.756 -7.252 7.014 1.00 0.00 C ATOM 1668 O LYS B 45 7.622 -8.119 6.890 1.00 0.00 O ATOM 1669 CB LYS B 45 6.893 -5.405 8.711 1.00 0.00 C ATOM 1670 CG LYS B 45 7.730 -6.200 9.701 1.00 0.00 C ATOM 1671 CD LYS B 45 9.200 -5.828 9.621 1.00 0.00 C ATOM 1672 CE LYS B 45 10.023 -6.589 10.649 1.00 0.00 C ATOM 1673 NZ LYS B 45 9.478 -6.426 12.026 1.00 0.00 N ATOM 0 H LYS B 45 5.756 -4.256 6.858 1.00 0.00 H new ATOM 0 HA LYS B 45 8.184 -5.647 7.019 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.110 -4.344 8.837 1.00 0.00 H new ATOM 0 HB3 LYS B 45 5.838 -5.545 8.948 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.364 -6.022 10.712 1.00 0.00 H new ATOM 0 HG3 LYS B 45 7.613 -7.265 9.503 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.577 -6.042 8.621 1.00 0.00 H new ATOM 0 HD3 LYS B 45 9.315 -4.756 9.782 1.00 0.00 H new ATOM 0 HE2 LYS B 45 10.041 -7.647 10.388 1.00 0.00 H new ATOM 0 HE3 LYS B 45 11.054 -6.236 10.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.206 -6.687 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 9.198 -5.435 12.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 8.648 -7.041 12.146 1.00 0.00 H new ATOM 1687 N GLU B 46 5.454 -7.504 6.931 1.00 0.00 N ATOM 1688 CA GLU B 46 4.935 -8.835 6.657 1.00 0.00 C ATOM 1689 C GLU B 46 5.192 -9.207 5.209 1.00 0.00 C ATOM 1690 O GLU B 46 5.339 -10.378 4.873 1.00 0.00 O ATOM 1691 CB GLU B 46 3.436 -8.891 6.948 1.00 0.00 C ATOM 1692 CG GLU B 46 3.108 -8.950 8.427 1.00 0.00 C ATOM 1693 CD GLU B 46 3.465 -10.285 9.034 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.621 -11.202 8.982 1.00 0.00 O ATOM 1695 OE2 GLU B 46 4.587 -10.428 9.559 1.00 0.00 O ATOM 0 H GLU B 46 4.733 -6.793 7.052 1.00 0.00 H new ATOM 0 HA GLU B 46 5.447 -9.547 7.305 1.00 0.00 H new ATOM 0 HB2 GLU B 46 2.957 -8.014 6.512 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.011 -9.765 6.455 1.00 0.00 H new ATOM 0 HG2 GLU B 46 3.646 -8.159 8.949 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.044 -8.760 8.570 1.00 0.00 H new ATOM 1702 N TYR B 47 5.243 -8.195 4.358 1.00 0.00 N ATOM 1703 CA TYR B 47 5.502 -8.396 2.947 1.00 0.00 C ATOM 1704 C TYR B 47 6.892 -8.985 2.763 1.00 0.00 C ATOM 1705 O TYR B 47 7.073 -9.943 2.017 1.00 0.00 O ATOM 1706 CB TYR B 47 5.380 -7.068 2.183 1.00 0.00 C ATOM 1707 CG TYR B 47 5.501 -7.194 0.680 1.00 0.00 C ATOM 1708 CD1 TYR B 47 6.736 -7.110 0.048 1.00 0.00 C ATOM 1709 CD2 TYR B 47 4.374 -7.393 -0.110 1.00 0.00 C ATOM 1710 CE1 TYR B 47 6.843 -7.219 -1.325 1.00 0.00 C ATOM 1711 CE2 TYR B 47 4.475 -7.504 -1.483 1.00 0.00 C ATOM 1712 CZ TYR B 47 5.710 -7.417 -2.084 1.00 0.00 C ATOM 1713 OH TYR B 47 5.816 -7.532 -3.449 1.00 0.00 O ATOM 0 H TYR B 47 5.107 -7.220 4.626 1.00 0.00 H new ATOM 0 HA TYR B 47 4.763 -9.090 2.546 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.418 -6.614 2.420 1.00 0.00 H new ATOM 0 HB3 TYR B 47 6.151 -6.386 2.541 1.00 0.00 H new ATOM 0 HD1 TYR B 47 7.626 -6.957 0.640 1.00 0.00 H new ATOM 0 HD2 TYR B 47 3.403 -7.462 0.358 1.00 0.00 H new ATOM 0 HE1 TYR B 47 7.810 -7.149 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR B 47 3.590 -7.658 -2.082 1.00 0.00 H new ATOM 0 HH TYR B 47 4.926 -7.669 -3.836 1.00 0.00 H new ATOM 1723 N LEU B 48 7.861 -8.418 3.469 1.00 0.00 N ATOM 1724 CA LEU B 48 9.234 -8.897 3.406 1.00 0.00 C ATOM 1725 C LEU B 48 9.340 -10.299 3.986 1.00 0.00 C ATOM 1726 O LEU B 48 9.903 -11.198 3.369 1.00 0.00 O ATOM 1727 CB LEU B 48 10.162 -7.952 4.174 1.00 0.00 C ATOM 1728 CG LEU B 48 10.099 -6.477 3.760 1.00 0.00 C ATOM 1729 CD1 LEU B 48 11.051 -5.642 4.604 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.421 -6.322 2.283 1.00 0.00 C ATOM 0 H LEU B 48 7.720 -7.624 4.093 1.00 0.00 H new ATOM 0 HA LEU B 48 9.536 -8.925 2.359 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.925 -8.023 5.236 1.00 0.00 H new ATOM 0 HB3 LEU B 48 11.187 -8.301 4.052 1.00 0.00 H new ATOM 0 HG LEU B 48 9.084 -6.117 3.930 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.991 -4.598 4.295 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.774 -5.725 5.655 1.00 0.00 H new ATOM 0 HD13 LEU B 48 12.070 -6.003 4.468 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.371 -5.268 2.008 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.424 -6.701 2.088 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.699 -6.886 1.692 1.00 0.00 H new ATOM 1742 N ASP B 49 8.783 -10.468 5.173 1.00 0.00 N ATOM 1743 CA ASP B 49 8.846 -11.734 5.891 1.00 0.00 C ATOM 1744 C ASP B 49 8.178 -12.869 5.109 1.00 0.00 C ATOM 1745 O ASP B 49 8.746 -13.951 4.965 1.00 0.00 O ATOM 1746 CB ASP B 49 8.181 -11.571 7.254 1.00 0.00 C ATOM 1747 CG ASP B 49 8.164 -12.856 8.056 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.177 -13.167 8.717 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.131 -13.558 8.037 1.00 0.00 O ATOM 0 H ASP B 49 8.275 -9.735 5.667 1.00 0.00 H new ATOM 0 HA ASP B 49 9.895 -12.003 6.017 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.706 -10.802 7.820 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.158 -11.221 7.115 1.00 0.00 H new ATOM 1754 N ASN B 50 6.988 -12.606 4.579 1.00 0.00 N ATOM 1755 CA ASN B 50 6.209 -13.636 3.894 1.00 0.00 C ATOM 1756 C ASN B 50 6.719 -13.876 2.481 1.00 0.00 C ATOM 1757 O ASN B 50 6.583 -14.971 1.942 1.00 0.00 O ATOM 1758 CB ASN B 50 4.722 -13.264 3.854 1.00 0.00 C ATOM 1759 CG ASN B 50 4.021 -13.496 5.182 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.466 -14.565 5.426 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.036 -12.493 6.047 1.00 0.00 N ATOM 0 H ASN B 50 6.541 -11.690 4.610 1.00 0.00 H new ATOM 0 HA ASN B 50 6.328 -14.559 4.462 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.622 -12.215 3.574 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.226 -13.849 3.080 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.576 -12.593 6.952 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.507 -11.621 5.808 1.00 0.00 H new ATOM 1768 N HIS B 51 7.324 -12.859 1.881 1.00 0.00 N ATOM 1769 CA HIS B 51 7.891 -13.003 0.545 1.00 0.00 C ATOM 1770 C HIS B 51 9.334 -13.472 0.632 1.00 0.00 C ATOM 1771 O HIS B 51 9.957 -13.761 -0.390 1.00 0.00 O ATOM 1772 CB HIS B 51 7.817 -11.690 -0.239 1.00 0.00 C ATOM 1773 CG HIS B 51 6.509 -11.471 -0.939 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.428 -11.053 -2.248 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.233 -11.604 -0.511 1.00 0.00 C ATOM 1776 CE1 HIS B 51 5.161 -10.942 -2.599 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.416 -11.270 -1.561 1.00 0.00 N ATOM 0 H HIS B 51 7.435 -11.933 2.293 1.00 0.00 H new ATOM 0 HA HIS B 51 7.301 -13.749 0.014 1.00 0.00 H new ATOM 0 HB2 HIS B 51 7.995 -10.860 0.445 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.619 -11.673 -0.977 1.00 0.00 H new ATOM 0 HD2 HIS B 51 4.916 -11.915 0.474 1.00 0.00 H new ATOM 0 HE1 HIS B 51 4.797 -10.636 -3.568 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.396 -11.275 -1.542 1.00 0.00 H new