USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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: B 14 LYS NZ :NH3+ 155:sc= 2.29 (180deg=0.659) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.27 K(o=3.8,f=-11!) USER MOD Set 1.3: B 84 THR OG1 : rot 171:sc= 0.278 USER MOD Set 2.1: A 52 GLN : amide:sc= -9.16! C(o=-10!,f=-9.9!) USER MOD Set 2.2: B 56 SER OG : rot 52:sc= 1.98 USER MOD Set 2.3: B 62 LYS NZ :NH3+ -175:sc= 1.73 (180deg=0) USER MOD Set 2.4: B 64 GLN : amide:sc= -4.16! C(o=-10!,f=-21!) USER MOD Set 2.5: B 78 HIS : no HD1:sc= -0.702 K(o=-10,f=-16) USER MOD Set 3.1: B 45 HIS : no HE2:sc= -0.561 K(o=-0.36,f=-1.6!) USER MOD Set 3.2: B 75 THR OG1 : rot -152:sc= 0.203 USER MOD Set 4.1: B 18 LYS NZ :NH3+ -173:sc= 2.43 (180deg=1.13) USER MOD Set 4.2: B 20 GLN : amide:sc= 0.409 K(o=2.8,f=-11!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.099) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 134:sc= -0.306 USER MOD Single : B 44 SER OG : rot 180:sc= -0.0161 USER MOD Single : B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 149:sc= 1.21 USER MOD Single : B 51 LYS NZ :NH3+ -122:sc= 1.83 (180deg=-3.12) USER MOD Single : B 52 CYS SG : rot 173:sc= -10.3! USER MOD Single : B 53 GLN : amide:sc= 0.301 K(o=0.3,f=-4.8!) USER MOD Single : B 54 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.1) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -4.98! C(o=-5!,f=-7!) USER MOD Single : B 70 HIS : no HE2:sc= -3.25 K(o=-3.3,f=-1.2) USER MOD Single : B 74 THR OG1 : rot 37:sc= 0.0621 USER MOD Single : B 76 ASN : amide:sc= -2.06 K(o=-2.1,f=-6!) USER MOD Single : B 80 SER OG : rot 50:sc= 0.304 USER MOD Single : B 83 SER OG : rot 180:sc= 0.0815 USER MOD Single : B 87 LYS NZ :NH3+ -156:sc= -0.828 (180deg=-2.21!) USER MOD Single : B 93 LYS NZ :NH3+ 175:sc= 0.409! (180deg=0.335!) USER MOD Single : B 97 GLN : amide:sc= -2.44 K(o=-2.4,f=-4.2!) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 102 LYS NZ :NH3+ -162:sc= 0.373 (180deg=0.143) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.421 8.138 14.175 1.00 0.00 N ATOM 135 CA ILE A 50 -1.348 7.732 13.154 1.00 0.00 C ATOM 136 C ILE A 50 -1.955 6.365 13.453 1.00 0.00 C ATOM 137 O ILE A 50 -1.297 5.331 13.386 1.00 0.00 O ATOM 138 CB ILE A 50 -0.663 7.772 11.757 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.100 9.010 10.990 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.958 6.549 10.918 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.166 9.363 9.866 1.00 0.00 C ATOM 0 HA ILE A 50 -2.176 8.441 13.144 1.00 0.00 H new ATOM 0 HB ILE A 50 0.410 7.796 11.945 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.100 8.847 10.587 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.167 9.853 11.678 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.452 6.637 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.602 5.658 11.435 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.033 6.469 10.757 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.531 10.255 9.356 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.829 9.556 10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.118 8.535 9.159 1.00 0.00 H new ATOM 153 N GLU A 51 -3.205 6.418 13.872 1.00 0.00 N ATOM 154 CA GLU A 51 -4.018 5.237 14.130 1.00 0.00 C ATOM 155 C GLU A 51 -5.482 5.635 14.042 1.00 0.00 C ATOM 156 O GLU A 51 -6.355 5.087 14.703 1.00 0.00 O ATOM 157 CB GLU A 51 -3.697 4.536 15.451 1.00 0.00 C ATOM 158 CG GLU A 51 -2.703 3.392 15.287 1.00 0.00 C ATOM 159 CD GLU A 51 -3.072 2.454 14.146 1.00 0.00 C ATOM 160 OE1 GLU A 51 -2.761 2.775 12.979 1.00 0.00 O ATOM 161 OE2 GLU A 51 -3.679 1.397 14.411 1.00 0.00 O ATOM 0 H GLU A 51 -3.695 7.295 14.047 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.781 4.493 13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.293 5.264 16.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.619 4.150 15.886 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.709 3.802 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.651 2.825 16.216 1.00 0.00 H new ATOM 168 N GLN A 52 -5.705 6.639 13.205 1.00 0.00 N ATOM 169 CA GLN A 52 -7.026 7.150 12.899 1.00 0.00 C ATOM 170 C GLN A 52 -7.375 6.630 11.533 1.00 0.00 C ATOM 171 O GLN A 52 -7.195 7.279 10.504 1.00 0.00 O ATOM 172 CB GLN A 52 -7.075 8.689 12.969 1.00 0.00 C ATOM 173 CG GLN A 52 -6.187 9.413 11.957 1.00 0.00 C ATOM 174 CD GLN A 52 -4.705 9.158 12.157 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.062 9.785 12.993 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.146 8.242 11.373 1.00 0.00 N ATOM 0 H GLN A 52 -4.957 7.127 12.713 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.756 6.812 13.634 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.106 9.011 12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.785 9.001 13.972 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.468 9.101 10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.375 10.485 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.713 7.741 10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.150 8.040 11.455 1.00 0.00 H new ATOM 185 N TRP A 53 -7.802 5.404 11.538 1.00 0.00 N ATOM 186 CA TRP A 53 -8.130 4.724 10.332 1.00 0.00 C ATOM 187 C TRP A 53 -9.567 4.234 10.396 1.00 0.00 C ATOM 188 O TRP A 53 -10.306 4.589 11.313 1.00 0.00 O ATOM 189 CB TRP A 53 -7.137 3.577 10.143 1.00 0.00 C ATOM 190 CG TRP A 53 -5.686 4.012 10.150 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.939 4.460 11.197 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.823 4.026 9.035 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.659 4.757 10.781 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.564 4.497 9.445 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.009 3.686 7.732 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.498 4.630 8.545 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -3.987 3.810 6.857 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.744 4.277 7.253 1.00 0.00 C ATOM 0 H TRP A 53 -7.932 4.849 12.384 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.056 5.391 9.473 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.290 2.843 10.935 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.351 3.076 9.199 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.299 4.567 12.210 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.908 5.112 11.373 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.968 3.319 7.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.531 4.994 8.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.143 3.538 5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.954 4.363 6.522 1.00 0.00 H new ATOM 209 N PHE A 54 -9.966 3.463 9.406 1.00 0.00 N ATOM 210 CA PHE A 54 -11.321 2.931 9.347 1.00 0.00 C ATOM 211 C PHE A 54 -11.273 1.436 9.245 1.00 0.00 C ATOM 212 O PHE A 54 -12.302 0.788 9.047 1.00 0.00 O ATOM 213 CB PHE A 54 -12.033 3.476 8.122 1.00 0.00 C ATOM 214 CG PHE A 54 -12.119 4.960 8.104 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.486 5.651 9.239 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.853 5.664 6.948 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.587 7.010 9.228 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.961 7.024 6.922 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.333 7.708 8.067 1.00 0.00 C ATOM 0 H PHE A 54 -9.371 3.187 8.625 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.855 3.227 10.250 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.511 3.138 7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.040 3.060 8.080 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.696 5.108 10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.556 5.134 6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.866 7.539 10.127 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.757 7.566 6.010 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.424 8.784 8.050 1.00 0.00 H new ATOM 246 N GLU A 56 -10.778 -1.049 7.202 1.00 0.00 N ATOM 247 CA GLU A 56 -11.664 -1.765 6.280 1.00 0.00 C ATOM 248 C GLU A 56 -11.802 -3.237 6.659 1.00 0.00 C ATOM 249 O GLU A 56 -12.902 -3.787 6.643 1.00 0.00 O ATOM 250 CB GLU A 56 -11.124 -1.621 4.866 1.00 0.00 C ATOM 251 CG GLU A 56 -10.882 -0.168 4.498 1.00 0.00 C ATOM 252 CD GLU A 56 -9.486 0.238 4.844 1.00 0.00 C ATOM 253 OE1 GLU A 56 -8.563 -0.095 4.075 1.00 0.00 O ATOM 254 OE2 GLU A 56 -9.315 0.861 5.908 1.00 0.00 O ATOM 0 HA GLU A 56 -12.661 -1.328 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.192 -2.179 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.829 -2.061 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.054 -0.024 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.593 0.469 5.025 1.00 0.00 H new ATOM 261 N ASP A 57 -10.684 -3.861 7.002 1.00 0.00 N ATOM 262 CA ASP A 57 -10.698 -5.248 7.439 1.00 0.00 C ATOM 263 C ASP A 57 -10.510 -5.286 8.950 1.00 0.00 C ATOM 264 O ASP A 57 -9.397 -5.160 9.453 1.00 0.00 O ATOM 265 CB ASP A 57 -9.618 -6.089 6.733 1.00 0.00 C ATOM 266 CG ASP A 57 -9.578 -7.549 7.203 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.523 -7.799 8.431 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.568 -8.458 6.349 1.00 0.00 O ATOM 0 H ASP A 57 -9.760 -3.430 6.986 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.658 -5.689 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.796 -6.066 5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.643 -5.633 6.905 1.00 0.00 H new ATOM 415 N GLU B 7 3.521 -8.869 -11.325 1.00 0.00 N ATOM 416 CA GLU B 7 2.574 -8.170 -12.175 1.00 0.00 C ATOM 417 C GLU B 7 2.337 -6.772 -11.637 1.00 0.00 C ATOM 418 O GLU B 7 1.824 -6.602 -10.536 1.00 0.00 O ATOM 419 CB GLU B 7 1.255 -8.941 -12.249 1.00 0.00 C ATOM 420 CG GLU B 7 0.255 -8.357 -13.234 1.00 0.00 C ATOM 421 CD GLU B 7 -0.870 -9.319 -13.557 1.00 0.00 C ATOM 422 OE1 GLU B 7 -1.873 -9.335 -12.818 1.00 0.00 O ATOM 423 OE2 GLU B 7 -0.748 -10.066 -14.552 1.00 0.00 O ATOM 0 HA GLU B 7 2.987 -8.098 -13.181 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.464 -9.974 -12.528 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.803 -8.964 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.163 -7.439 -12.821 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.772 -8.086 -14.154 1.00 0.00 H new ATOM 430 N VAL B 8 2.718 -5.776 -12.413 1.00 0.00 N ATOM 431 CA VAL B 8 2.552 -4.401 -12.005 1.00 0.00 C ATOM 432 C VAL B 8 1.134 -3.953 -12.297 1.00 0.00 C ATOM 433 O VAL B 8 0.736 -3.797 -13.451 1.00 0.00 O ATOM 434 CB VAL B 8 3.562 -3.476 -12.707 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.497 -2.075 -12.121 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.969 -4.046 -12.593 1.00 0.00 C ATOM 0 H VAL B 8 3.145 -5.897 -13.331 1.00 0.00 H new ATOM 0 HA VAL B 8 2.741 -4.337 -10.933 1.00 0.00 H new ATOM 0 HB VAL B 8 3.302 -3.414 -13.764 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.218 -1.434 -12.629 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.494 -1.671 -12.256 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.733 -2.114 -11.058 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.673 -3.381 -13.094 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.241 -4.136 -11.541 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.002 -5.029 -13.062 1.00 0.00 H new ATOM 446 N LEU B 9 0.386 -3.757 -11.231 1.00 0.00 N ATOM 447 CA LEU B 9 -1.000 -3.359 -11.315 1.00 0.00 C ATOM 448 C LEU B 9 -1.120 -1.860 -11.197 1.00 0.00 C ATOM 449 O LEU B 9 -1.905 -1.230 -11.903 1.00 0.00 O ATOM 450 CB LEU B 9 -1.795 -4.017 -10.186 1.00 0.00 C ATOM 451 CG LEU B 9 -2.084 -5.505 -10.359 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.690 -6.071 -9.089 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.020 -5.733 -11.532 1.00 0.00 C ATOM 0 H LEU B 9 0.727 -3.871 -10.276 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.397 -3.677 -12.279 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.249 -3.878 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.744 -3.491 -10.081 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.144 -6.019 -10.561 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.892 -7.134 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.993 -5.937 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.621 -5.550 -8.867 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.215 -6.800 -11.640 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.959 -5.209 -11.355 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.559 -5.354 -12.444 1.00 0.00 H new ATOM 465 N LEU B 10 -0.336 -1.283 -10.302 1.00 0.00 N ATOM 466 CA LEU B 10 -0.394 0.146 -10.098 1.00 0.00 C ATOM 467 C LEU B 10 0.958 0.723 -9.726 1.00 0.00 C ATOM 468 O LEU B 10 1.740 0.101 -9.008 1.00 0.00 O ATOM 469 CB LEU B 10 -1.367 0.466 -8.972 1.00 0.00 C ATOM 470 CG LEU B 10 -2.093 1.810 -9.101 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.049 1.790 -10.285 1.00 0.00 C ATOM 472 CD2 LEU B 10 -2.843 2.144 -7.822 1.00 0.00 C ATOM 0 H LEU B 10 0.337 -1.777 -9.715 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.720 0.590 -11.039 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.112 -0.328 -8.920 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.822 0.454 -8.028 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.345 2.584 -9.272 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.555 2.752 -10.360 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.490 1.601 -11.201 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.788 1.002 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.350 3.102 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.579 1.366 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.139 2.204 -6.992 1.00 0.00 H new ATOM 484 N ILE B 11 1.220 1.909 -10.240 1.00 0.00 N ATOM 485 CA ILE B 11 2.434 2.643 -9.930 1.00 0.00 C ATOM 486 C ILE B 11 2.047 4.031 -9.437 1.00 0.00 C ATOM 487 O ILE B 11 1.606 4.873 -10.216 1.00 0.00 O ATOM 488 CB ILE B 11 3.375 2.792 -11.148 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.769 1.417 -11.691 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.616 3.594 -10.763 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.678 1.474 -12.900 1.00 0.00 C ATOM 0 H ILE B 11 0.596 2.393 -10.886 1.00 0.00 H new ATOM 0 HA ILE B 11 2.975 2.079 -9.170 1.00 0.00 H new ATOM 0 HB ILE B 11 2.845 3.331 -11.934 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.266 0.854 -10.901 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.865 0.868 -11.954 1.00 0.00 H new ATOM 0 HG21 ILE B 11 5.270 3.691 -11.630 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.317 4.585 -10.421 1.00 0.00 H new ATOM 0 HG23 ILE B 11 5.148 3.079 -9.963 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.913 0.461 -13.227 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.177 2.008 -13.707 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.600 1.994 -12.638 1.00 0.00 H new ATOM 503 N VAL B 12 2.198 4.258 -8.146 1.00 0.00 N ATOM 504 CA VAL B 12 1.860 5.544 -7.559 1.00 0.00 C ATOM 505 C VAL B 12 3.129 6.273 -7.153 1.00 0.00 C ATOM 506 O VAL B 12 3.958 5.726 -6.430 1.00 0.00 O ATOM 507 CB VAL B 12 0.942 5.386 -6.326 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.347 6.727 -5.920 1.00 0.00 C ATOM 509 CG2 VAL B 12 -0.160 4.373 -6.596 1.00 0.00 C ATOM 0 H VAL B 12 2.552 3.569 -7.482 1.00 0.00 H new ATOM 0 HA VAL B 12 1.321 6.120 -8.311 1.00 0.00 H new ATOM 0 HB VAL B 12 1.550 5.016 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.296 6.591 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.150 7.422 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.240 7.129 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.793 4.280 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.763 4.707 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.284 3.405 -6.828 1.00 0.00 H new ATOM 519 N LYS B 13 3.289 7.497 -7.628 1.00 0.00 N ATOM 520 CA LYS B 13 4.470 8.279 -7.304 1.00 0.00 C ATOM 521 C LYS B 13 4.239 9.142 -6.078 1.00 0.00 C ATOM 522 O LYS B 13 3.118 9.250 -5.581 1.00 0.00 O ATOM 523 CB LYS B 13 4.883 9.159 -8.478 1.00 0.00 C ATOM 524 CG LYS B 13 5.819 8.470 -9.454 1.00 0.00 C ATOM 525 CD LYS B 13 7.236 9.006 -9.330 1.00 0.00 C ATOM 526 CE LYS B 13 8.134 8.478 -10.438 1.00 0.00 C ATOM 527 NZ LYS B 13 9.517 9.020 -10.332 1.00 0.00 N ATOM 0 H LYS B 13 2.620 7.969 -8.236 1.00 0.00 H new ATOM 0 HA LYS B 13 5.274 7.575 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.989 9.482 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.368 10.057 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.816 7.396 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.460 8.618 -10.472 1.00 0.00 H new ATOM 0 HD2 LYS B 13 7.218 10.095 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.649 8.724 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS B 13 8.165 7.389 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.712 8.745 -11.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 10.100 8.638 -11.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 9.489 10.057 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 9.929 8.744 -9.418 1.00 0.00 H new ATOM 541 N LYS B 14 5.318 9.773 -5.632 1.00 0.00 N ATOM 542 CA LYS B 14 5.310 10.636 -4.461 1.00 0.00 C ATOM 543 C LYS B 14 4.685 9.943 -3.251 1.00 0.00 C ATOM 544 O LYS B 14 3.953 10.558 -2.476 1.00 0.00 O ATOM 545 CB LYS B 14 4.591 11.943 -4.788 1.00 0.00 C ATOM 546 CG LYS B 14 5.520 13.032 -5.316 1.00 0.00 C ATOM 547 CD LYS B 14 4.755 14.278 -5.748 1.00 0.00 C ATOM 548 CE LYS B 14 4.395 15.168 -4.565 1.00 0.00 C ATOM 549 NZ LYS B 14 3.380 16.196 -4.931 1.00 0.00 N ATOM 0 H LYS B 14 6.232 9.698 -6.079 1.00 0.00 H new ATOM 0 HA LYS B 14 6.342 10.861 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.816 11.747 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.090 12.307 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.241 13.299 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.088 12.645 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.358 14.845 -6.458 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.844 13.982 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.011 14.553 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.294 15.661 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.857 16.486 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.857 17.023 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.716 15.797 -5.625 1.00 0.00 H new ATOM 563 N VAL B 15 4.972 8.655 -3.099 1.00 0.00 N ATOM 564 CA VAL B 15 4.461 7.898 -1.963 1.00 0.00 C ATOM 565 C VAL B 15 5.542 7.796 -0.905 1.00 0.00 C ATOM 566 O VAL B 15 6.643 7.328 -1.183 1.00 0.00 O ATOM 567 CB VAL B 15 3.979 6.480 -2.348 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.351 5.787 -1.143 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.988 6.559 -3.491 1.00 0.00 C ATOM 0 H VAL B 15 5.551 8.117 -3.743 1.00 0.00 H new ATOM 0 HA VAL B 15 3.593 8.435 -1.581 1.00 0.00 H new ATOM 0 HB VAL B 15 4.839 5.893 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.017 4.790 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.088 5.707 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.498 6.369 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.655 5.555 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.129 7.158 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.465 7.021 -4.355 1.00 0.00 H new ATOM 579 N ARG B 16 5.232 8.241 0.296 1.00 0.00 N ATOM 580 CA ARG B 16 6.181 8.222 1.383 1.00 0.00 C ATOM 581 C ARG B 16 5.836 7.160 2.406 1.00 0.00 C ATOM 582 O ARG B 16 4.700 6.695 2.485 1.00 0.00 O ATOM 583 CB ARG B 16 6.246 9.597 2.049 1.00 0.00 C ATOM 584 CG ARG B 16 7.113 10.573 1.280 1.00 0.00 C ATOM 585 CD ARG B 16 6.900 12.013 1.703 1.00 0.00 C ATOM 586 NE ARG B 16 8.038 12.843 1.308 1.00 0.00 N ATOM 587 CZ ARG B 16 8.032 14.169 1.268 1.00 0.00 C ATOM 588 NH1 ARG B 16 6.953 14.850 1.644 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.116 14.808 0.847 1.00 0.00 N ATOM 0 H ARG B 16 4.319 8.624 0.542 1.00 0.00 H new ATOM 0 HA ARG B 16 7.159 7.977 0.968 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.238 10.003 2.137 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.636 9.489 3.061 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.161 10.309 1.422 1.00 0.00 H new ATOM 0 HG3 ARG B 16 6.902 10.478 0.215 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.987 12.399 1.249 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.765 12.063 2.783 1.00 0.00 H new ATOM 0 HE ARG B 16 8.900 12.367 1.044 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.123 14.353 1.966 1.00 0.00 H new ATOM 0 HH12 ARG B 16 6.956 15.869 1.610 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.940 14.280 0.559 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.125 15.827 0.811 1.00 0.00 H new ATOM 603 N GLN B 17 6.845 6.752 3.145 1.00 0.00 N ATOM 604 CA GLN B 17 6.691 5.769 4.194 1.00 0.00 C ATOM 605 C GLN B 17 7.774 5.997 5.237 1.00 0.00 C ATOM 606 O GLN B 17 8.945 5.685 5.002 1.00 0.00 O ATOM 607 CB GLN B 17 6.783 4.351 3.617 1.00 0.00 C ATOM 608 CG GLN B 17 5.984 3.314 4.398 1.00 0.00 C ATOM 609 CD GLN B 17 6.687 2.828 5.653 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.046 2.501 6.650 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.010 2.768 5.616 1.00 0.00 N ATOM 0 H GLN B 17 7.799 7.095 3.034 1.00 0.00 H new ATOM 0 HA GLN B 17 5.710 5.875 4.658 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.431 4.365 2.586 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.829 4.046 3.592 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.020 3.742 4.673 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.781 2.461 3.751 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.510 3.047 4.772 1.00 0.00 H new ATOM 0 HE22 GLN B 17 8.529 2.443 6.432 1.00 0.00 H new ATOM 620 N LYS B 18 7.377 6.577 6.365 1.00 0.00 N ATOM 621 CA LYS B 18 8.289 6.866 7.466 1.00 0.00 C ATOM 622 C LYS B 18 9.289 7.948 7.066 1.00 0.00 C ATOM 623 O LYS B 18 10.499 7.789 7.260 1.00 0.00 O ATOM 624 CB LYS B 18 9.026 5.601 7.923 1.00 0.00 C ATOM 625 CG LYS B 18 9.557 5.687 9.346 1.00 0.00 C ATOM 626 CD LYS B 18 10.794 4.823 9.535 1.00 0.00 C ATOM 627 CE LYS B 18 12.061 5.664 9.595 1.00 0.00 C ATOM 628 NZ LYS B 18 12.414 6.257 8.274 1.00 0.00 N ATOM 0 H LYS B 18 6.413 6.860 6.542 1.00 0.00 H new ATOM 0 HA LYS B 18 7.695 7.232 8.303 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.350 4.749 7.847 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.857 5.410 7.245 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.797 6.723 9.584 1.00 0.00 H new ATOM 0 HG3 LYS B 18 8.782 5.371 10.044 1.00 0.00 H new ATOM 0 HD2 LYS B 18 10.697 4.244 10.453 1.00 0.00 H new ATOM 0 HD3 LYS B 18 10.869 4.109 8.715 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.929 6.463 10.325 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.888 5.046 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.343 6.720 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.451 5.506 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 11.695 6.959 8.005 1.00 0.00 H new ATOM 642 N LYS B 19 8.775 9.041 6.503 1.00 0.00 N ATOM 643 CA LYS B 19 9.599 10.173 6.077 1.00 0.00 C ATOM 644 C LYS B 19 10.530 9.788 4.931 1.00 0.00 C ATOM 645 O LYS B 19 11.658 10.270 4.848 1.00 0.00 O ATOM 646 CB LYS B 19 10.417 10.733 7.251 1.00 0.00 C ATOM 647 CG LYS B 19 9.750 11.897 7.964 1.00 0.00 C ATOM 648 CD LYS B 19 8.412 11.494 8.559 1.00 0.00 C ATOM 649 CE LYS B 19 7.618 12.704 9.014 1.00 0.00 C ATOM 650 NZ LYS B 19 6.219 12.343 9.353 1.00 0.00 N ATOM 0 H LYS B 19 7.778 9.167 6.329 1.00 0.00 H new ATOM 0 HA LYS B 19 8.920 10.948 5.721 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.597 9.934 7.970 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.391 11.055 6.882 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.405 12.264 8.754 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.605 12.719 7.263 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.837 10.937 7.819 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.575 10.826 9.405 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.100 13.150 9.884 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.619 13.458 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.706 13.194 9.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 5.752 11.940 8.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.218 11.642 10.121 1.00 0.00 H new ATOM 664 N GLN B 20 10.057 8.919 4.050 1.00 0.00 N ATOM 665 CA GLN B 20 10.854 8.495 2.907 1.00 0.00 C ATOM 666 C GLN B 20 10.005 8.540 1.652 1.00 0.00 C ATOM 667 O GLN B 20 9.028 7.805 1.542 1.00 0.00 O ATOM 668 CB GLN B 20 11.383 7.073 3.112 1.00 0.00 C ATOM 669 CG GLN B 20 12.321 6.924 4.298 1.00 0.00 C ATOM 670 CD GLN B 20 12.560 5.474 4.680 1.00 0.00 C ATOM 671 OE1 GLN B 20 12.754 5.152 5.854 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.554 4.590 3.694 1.00 0.00 N ATOM 0 H GLN B 20 9.131 8.495 4.103 1.00 0.00 H new ATOM 0 HA GLN B 20 11.702 9.172 2.806 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.537 6.398 3.244 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.904 6.757 2.208 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.275 7.395 4.062 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.905 7.457 5.153 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.390 4.897 2.735 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.714 3.603 3.893 1.00 0.00 H new ATOM 681 N ASP B 21 10.378 9.390 0.711 1.00 0.00 N ATOM 682 CA ASP B 21 9.635 9.520 -0.535 1.00 0.00 C ATOM 683 C ASP B 21 10.111 8.543 -1.597 1.00 0.00 C ATOM 684 O ASP B 21 11.308 8.340 -1.808 1.00 0.00 O ATOM 685 CB ASP B 21 9.646 10.966 -1.056 1.00 0.00 C ATOM 686 CG ASP B 21 10.873 11.752 -0.642 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.995 11.334 -0.969 1.00 0.00 O ATOM 688 OD2 ASP B 21 10.696 12.789 0.044 1.00 0.00 O ATOM 0 H ASP B 21 11.191 10.002 0.784 1.00 0.00 H new ATOM 0 HA ASP B 21 8.601 9.260 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.585 10.951 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.756 11.480 -0.693 1.00 0.00 H new ATOM 693 N GLY B 22 9.144 7.905 -2.234 1.00 0.00 N ATOM 694 CA GLY B 22 9.427 6.956 -3.277 1.00 0.00 C ATOM 695 C GLY B 22 8.220 6.722 -4.151 1.00 0.00 C ATOM 696 O GLY B 22 7.639 7.669 -4.693 1.00 0.00 O ATOM 0 H GLY B 22 8.151 8.034 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.254 7.319 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.747 6.012 -2.835 1.00 0.00 H new ATOM 700 N ALA B 23 7.812 5.471 -4.263 1.00 0.00 N ATOM 701 CA ALA B 23 6.675 5.122 -5.086 1.00 0.00 C ATOM 702 C ALA B 23 6.067 3.812 -4.621 1.00 0.00 C ATOM 703 O ALA B 23 6.784 2.903 -4.199 1.00 0.00 O ATOM 704 CB ALA B 23 7.099 5.035 -6.538 1.00 0.00 C ATOM 0 H ALA B 23 8.254 4.681 -3.793 1.00 0.00 H new ATOM 0 HA ALA B 23 5.915 5.898 -4.991 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.239 4.772 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.494 5.998 -6.860 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.870 4.272 -6.647 1.00 0.00 H new ATOM 710 N LEU B 24 4.753 3.715 -4.724 1.00 0.00 N ATOM 711 CA LEU B 24 4.038 2.529 -4.293 1.00 0.00 C ATOM 712 C LEU B 24 3.690 1.692 -5.517 1.00 0.00 C ATOM 713 O LEU B 24 3.045 2.174 -6.451 1.00 0.00 O ATOM 714 CB LEU B 24 2.762 2.940 -3.540 1.00 0.00 C ATOM 715 CG LEU B 24 2.294 2.005 -2.417 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.908 2.406 -1.937 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.300 0.554 -2.858 1.00 0.00 C ATOM 0 H LEU B 24 4.157 4.450 -5.105 1.00 0.00 H new ATOM 0 HA LEU B 24 4.661 1.939 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.922 3.930 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.954 3.032 -4.265 1.00 0.00 H new ATOM 0 HG LEU B 24 2.998 2.103 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.590 1.733 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.935 3.428 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.204 2.344 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU B 24 1.963 -0.077 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.631 0.430 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.311 0.265 -3.146 1.00 0.00 H new ATOM 729 N TYR B 25 4.133 0.448 -5.511 1.00 0.00 N ATOM 730 CA TYR B 25 3.887 -0.462 -6.622 1.00 0.00 C ATOM 731 C TYR B 25 2.950 -1.593 -6.214 1.00 0.00 C ATOM 732 O TYR B 25 3.228 -2.341 -5.276 1.00 0.00 O ATOM 733 CB TYR B 25 5.206 -1.047 -7.138 1.00 0.00 C ATOM 734 CG TYR B 25 6.133 -0.021 -7.755 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.960 0.763 -6.963 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.178 0.160 -9.131 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.804 1.701 -7.523 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.021 1.097 -9.699 1.00 0.00 C ATOM 739 CZ TYR B 25 7.831 1.865 -8.891 1.00 0.00 C ATOM 740 OH TYR B 25 8.670 2.804 -9.454 1.00 0.00 O ATOM 0 H TYR B 25 4.669 0.040 -4.745 1.00 0.00 H new ATOM 0 HA TYR B 25 3.411 0.111 -7.418 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.722 -1.538 -6.313 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.986 -1.815 -7.879 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.943 0.637 -5.890 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.545 -0.440 -9.767 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.440 2.304 -6.892 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.045 1.226 -10.771 1.00 0.00 H new ATOM 0 HH TYR B 25 8.568 2.791 -10.429 1.00 0.00 H new ATOM 750 N LEU B 26 1.835 -1.705 -6.918 1.00 0.00 N ATOM 751 CA LEU B 26 0.865 -2.755 -6.646 1.00 0.00 C ATOM 752 C LEU B 26 1.126 -3.940 -7.553 1.00 0.00 C ATOM 753 O LEU B 26 1.262 -3.766 -8.763 1.00 0.00 O ATOM 754 CB LEU B 26 -0.570 -2.272 -6.880 1.00 0.00 C ATOM 755 CG LEU B 26 -1.049 -1.140 -5.977 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.561 -1.016 -6.044 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.604 -1.372 -4.554 1.00 0.00 C ATOM 0 H LEU B 26 1.579 -1.081 -7.683 1.00 0.00 H new ATOM 0 HA LEU B 26 0.974 -3.039 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.658 -1.946 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.243 -3.120 -6.754 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.606 -0.208 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.889 -0.204 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.864 -0.805 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.018 -1.950 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.955 -0.554 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.019 -2.312 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.484 -1.417 -4.516 1.00 0.00 H new ATOM 769 N MET B 27 1.211 -5.126 -6.972 1.00 0.00 N ATOM 770 CA MET B 27 1.431 -6.339 -7.743 1.00 0.00 C ATOM 771 C MET B 27 0.275 -7.296 -7.516 1.00 0.00 C ATOM 772 O MET B 27 -0.405 -7.229 -6.494 1.00 0.00 O ATOM 773 CB MET B 27 2.749 -7.018 -7.366 1.00 0.00 C ATOM 774 CG MET B 27 3.968 -6.123 -7.515 1.00 0.00 C ATOM 775 SD MET B 27 5.340 -6.639 -6.466 1.00 0.00 S ATOM 776 CE MET B 27 6.655 -5.608 -7.107 1.00 0.00 C ATOM 0 H MET B 27 1.131 -5.275 -5.966 1.00 0.00 H new ATOM 0 HA MET B 27 1.489 -6.066 -8.797 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.687 -7.362 -6.333 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.882 -7.903 -7.989 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.291 -6.125 -8.556 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.693 -5.097 -7.269 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.575 -5.810 -6.559 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.806 -5.827 -8.164 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.385 -4.559 -6.989 1.00 0.00 H new ATOM 786 N ALA B 28 0.079 -8.196 -8.455 1.00 0.00 N ATOM 787 CA ALA B 28 -1.017 -9.157 -8.394 1.00 0.00 C ATOM 788 C ALA B 28 -0.946 -10.048 -7.164 1.00 0.00 C ATOM 789 O ALA B 28 -1.965 -10.334 -6.534 1.00 0.00 O ATOM 790 CB ALA B 28 -1.011 -10.019 -9.638 1.00 0.00 C ATOM 0 H ALA B 28 0.669 -8.288 -9.282 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.942 -8.584 -8.331 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.831 -10.735 -9.588 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.133 -9.388 -10.518 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.064 -10.555 -9.704 1.00 0.00 H new ATOM 796 N GLU B 29 0.253 -10.485 -6.830 1.00 0.00 N ATOM 797 CA GLU B 29 0.446 -11.374 -5.699 1.00 0.00 C ATOM 798 C GLU B 29 0.866 -10.632 -4.435 1.00 0.00 C ATOM 799 O GLU B 29 0.839 -11.210 -3.343 1.00 0.00 O ATOM 800 CB GLU B 29 1.499 -12.442 -6.031 1.00 0.00 C ATOM 801 CG GLU B 29 1.816 -12.577 -7.516 1.00 0.00 C ATOM 802 CD GLU B 29 2.842 -11.566 -7.994 1.00 0.00 C ATOM 803 OE1 GLU B 29 4.051 -11.869 -7.938 1.00 0.00 O ATOM 804 OE2 GLU B 29 2.443 -10.464 -8.425 1.00 0.00 O ATOM 0 H GLU B 29 1.110 -10.239 -7.326 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.518 -11.844 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.419 -12.206 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.151 -13.405 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.185 -13.583 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.898 -12.456 -8.091 1.00 0.00 H new ATOM 811 N ARG B 30 1.202 -9.349 -4.545 1.00 0.00 N ATOM 812 CA ARG B 30 1.666 -8.627 -3.359 1.00 0.00 C ATOM 813 C ARG B 30 1.770 -7.124 -3.575 1.00 0.00 C ATOM 814 O ARG B 30 1.540 -6.618 -4.662 1.00 0.00 O ATOM 815 CB ARG B 30 3.039 -9.167 -2.937 1.00 0.00 C ATOM 816 CG ARG B 30 4.184 -8.685 -3.813 1.00 0.00 C ATOM 817 CD ARG B 30 5.321 -9.690 -3.856 1.00 0.00 C ATOM 818 NE ARG B 30 5.386 -10.376 -5.144 1.00 0.00 N ATOM 819 CZ ARG B 30 6.391 -10.241 -6.009 1.00 0.00 C ATOM 820 NH1 ARG B 30 7.436 -9.477 -5.713 1.00 0.00 N ATOM 821 NH2 ARG B 30 6.350 -10.867 -7.173 1.00 0.00 N ATOM 0 H ARG B 30 1.165 -8.803 -5.406 1.00 0.00 H new ATOM 0 HA ARG B 30 0.922 -8.791 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.234 -8.872 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.012 -10.256 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.818 -8.506 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.555 -7.732 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.265 -9.180 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.190 -10.422 -3.060 1.00 0.00 H new ATOM 0 HE ARG B 30 4.616 -10.996 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.473 -8.988 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.201 -9.379 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.549 -11.453 -7.409 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.119 -10.764 -7.835 1.00 0.00 H new ATOM 835 N ILE B 31 2.120 -6.425 -2.512 1.00 0.00 N ATOM 836 CA ILE B 31 2.296 -4.986 -2.557 1.00 0.00 C ATOM 837 C ILE B 31 3.762 -4.666 -2.275 1.00 0.00 C ATOM 838 O ILE B 31 4.395 -5.338 -1.455 1.00 0.00 O ATOM 839 CB ILE B 31 1.372 -4.278 -1.537 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.554 -2.759 -1.593 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.629 -4.797 -0.129 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.453 -1.994 -0.889 1.00 0.00 C ATOM 0 H ILE B 31 2.290 -6.838 -1.595 1.00 0.00 H new ATOM 0 HA ILE B 31 2.023 -4.618 -3.546 1.00 0.00 H new ATOM 0 HB ILE B 31 0.340 -4.504 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.512 -2.499 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.596 -2.444 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.969 -4.287 0.573 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.435 -5.869 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.667 -4.607 0.145 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.646 -0.924 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.505 -2.225 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.425 -2.281 0.162 1.00 0.00 H new ATOM 854 N ALA B 32 4.316 -3.682 -2.967 1.00 0.00 N ATOM 855 CA ALA B 32 5.713 -3.330 -2.771 1.00 0.00 C ATOM 856 C ALA B 32 5.933 -1.824 -2.809 1.00 0.00 C ATOM 857 O ALA B 32 5.140 -1.080 -3.386 1.00 0.00 O ATOM 858 CB ALA B 32 6.573 -4.014 -3.822 1.00 0.00 C ATOM 0 H ALA B 32 3.826 -3.119 -3.662 1.00 0.00 H new ATOM 0 HA ALA B 32 6.005 -3.676 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.618 -3.745 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.460 -5.095 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.258 -3.693 -4.815 1.00 0.00 H new ATOM 864 N TRP B 33 7.017 -1.384 -2.188 1.00 0.00 N ATOM 865 CA TRP B 33 7.360 0.025 -2.150 1.00 0.00 C ATOM 866 C TRP B 33 8.876 0.194 -2.245 1.00 0.00 C ATOM 867 O TRP B 33 9.636 -0.608 -1.692 1.00 0.00 O ATOM 868 CB TRP B 33 6.824 0.683 -0.873 1.00 0.00 C ATOM 869 CG TRP B 33 7.004 2.168 -0.865 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.114 3.107 -1.294 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.154 2.882 -0.412 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.656 4.360 -1.161 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.903 4.246 -0.620 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.375 2.498 0.140 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.828 5.227 -0.298 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.292 3.472 0.463 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.017 4.825 0.241 1.00 0.00 C ATOM 0 H TRP B 33 7.677 -1.990 -1.701 1.00 0.00 H new ATOM 0 HA TRP B 33 6.895 0.519 -3.003 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.765 0.450 -0.767 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.333 0.256 -0.009 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.128 2.896 -1.681 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.201 5.234 -1.424 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.597 1.455 0.311 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.616 6.272 -0.467 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.240 3.187 0.895 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.759 5.566 0.501 1.00 0.00 H new ATOM 888 N ALA B 34 9.300 1.235 -2.948 1.00 0.00 N ATOM 889 CA ALA B 34 10.714 1.524 -3.139 1.00 0.00 C ATOM 890 C ALA B 34 10.941 3.033 -3.187 1.00 0.00 C ATOM 891 O ALA B 34 10.173 3.750 -3.832 1.00 0.00 O ATOM 892 CB ALA B 34 11.241 0.861 -4.408 1.00 0.00 C ATOM 0 H ALA B 34 8.675 1.902 -3.401 1.00 0.00 H new ATOM 0 HA ALA B 34 11.265 1.113 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.299 1.093 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.112 -0.219 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.689 1.235 -5.270 1.00 0.00 H new ATOM 898 N PRO B 35 11.964 3.541 -2.477 1.00 0.00 N ATOM 899 CA PRO B 35 12.283 4.979 -2.462 1.00 0.00 C ATOM 900 C PRO B 35 12.690 5.456 -3.853 1.00 0.00 C ATOM 901 O PRO B 35 13.002 4.634 -4.711 1.00 0.00 O ATOM 902 CB PRO B 35 13.463 5.074 -1.490 1.00 0.00 C ATOM 903 CG PRO B 35 14.067 3.712 -1.494 1.00 0.00 C ATOM 904 CD PRO B 35 12.920 2.758 -1.678 1.00 0.00 C ATOM 0 HA PRO B 35 11.437 5.599 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.182 5.827 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.131 5.357 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.795 3.609 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.594 3.515 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.229 1.850 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.493 2.452 -0.723 1.00 0.00 H new ATOM 992 N PHE B 41 13.083 -3.222 -4.201 1.00 0.00 N ATOM 993 CA PHE B 41 11.946 -2.884 -3.361 1.00 0.00 C ATOM 994 C PHE B 41 12.300 -3.080 -1.896 1.00 0.00 C ATOM 995 O PHE B 41 12.663 -4.177 -1.477 1.00 0.00 O ATOM 996 CB PHE B 41 10.728 -3.728 -3.736 1.00 0.00 C ATOM 997 CG PHE B 41 10.244 -3.487 -5.138 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.468 -2.377 -5.434 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.569 -4.364 -6.161 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.026 -2.147 -6.722 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.130 -4.138 -7.452 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.356 -3.028 -7.732 1.00 0.00 C ATOM 0 HA PHE B 41 11.695 -1.836 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE B 41 10.977 -4.783 -3.622 1.00 0.00 H new ATOM 0 HB3 PHE B 41 9.918 -3.514 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.206 -1.684 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.172 -5.234 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.422 -1.278 -6.939 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.392 -4.828 -8.241 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.010 -2.850 -8.739 1.00 0.00 H new ATOM 1012 N THR B 42 12.199 -2.007 -1.130 1.00 0.00 N ATOM 1013 CA THR B 42 12.511 -2.038 0.289 1.00 0.00 C ATOM 1014 C THR B 42 11.384 -2.671 1.089 1.00 0.00 C ATOM 1015 O THR B 42 11.596 -3.211 2.173 1.00 0.00 O ATOM 1016 CB THR B 42 12.746 -0.613 0.810 1.00 0.00 C ATOM 1017 OG1 THR B 42 11.921 0.309 0.082 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.199 -0.216 0.659 1.00 0.00 C ATOM 0 H THR B 42 11.900 -1.094 -1.472 1.00 0.00 H new ATOM 0 HA THR B 42 13.413 -2.637 0.414 1.00 0.00 H new ATOM 0 HB THR B 42 12.486 -0.587 1.868 1.00 0.00 H new ATOM 0 HG1 THR B 42 11.482 0.920 0.709 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.340 0.797 1.035 1.00 0.00 H new ATOM 0 HG22 THR B 42 14.825 -0.904 1.227 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.479 -0.255 -0.394 1.00 0.00 H new ATOM 1026 N ILE B 43 10.185 -2.596 0.541 1.00 0.00 N ATOM 1027 CA ILE B 43 9.013 -3.134 1.199 1.00 0.00 C ATOM 1028 C ILE B 43 8.234 -4.033 0.248 1.00 0.00 C ATOM 1029 O ILE B 43 7.923 -3.638 -0.872 1.00 0.00 O ATOM 1030 CB ILE B 43 8.110 -1.982 1.701 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.715 -1.340 2.953 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.692 -2.465 1.981 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.105 0.001 3.301 1.00 0.00 C ATOM 0 H ILE B 43 9.999 -2.164 -0.364 1.00 0.00 H new ATOM 0 HA ILE B 43 9.336 -3.729 2.053 1.00 0.00 H new ATOM 0 HB ILE B 43 8.054 -1.233 0.911 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.587 -2.018 3.797 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.788 -1.214 2.805 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.086 -1.630 2.332 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.258 -2.869 1.067 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.716 -3.242 2.745 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.582 0.396 4.198 1.00 0.00 H new ATOM 0 HD12 ILE B 43 8.256 0.695 2.474 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.037 -0.121 3.482 1.00 0.00 H new ATOM 1045 N SER B 44 7.971 -5.255 0.684 1.00 0.00 N ATOM 1046 CA SER B 44 7.214 -6.213 -0.097 1.00 0.00 C ATOM 1047 C SER B 44 6.421 -7.092 0.861 1.00 0.00 C ATOM 1048 O SER B 44 6.989 -7.654 1.797 1.00 0.00 O ATOM 1049 CB SER B 44 8.156 -7.060 -0.954 1.00 0.00 C ATOM 1050 OG SER B 44 7.468 -7.658 -2.042 1.00 0.00 O ATOM 0 H SER B 44 8.278 -5.608 1.590 1.00 0.00 H new ATOM 0 HA SER B 44 6.531 -5.693 -0.769 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.966 -6.436 -1.332 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.612 -7.836 -0.339 1.00 0.00 H new ATOM 0 HG SER B 44 8.096 -8.192 -2.573 1.00 0.00 H new ATOM 1056 N HIS B 45 5.119 -7.207 0.641 1.00 0.00 N ATOM 1057 CA HIS B 45 4.270 -7.991 1.513 1.00 0.00 C ATOM 1058 C HIS B 45 3.254 -8.731 0.681 1.00 0.00 C ATOM 1059 O HIS B 45 2.500 -8.120 -0.081 1.00 0.00 O ATOM 1060 CB HIS B 45 3.555 -7.098 2.541 1.00 0.00 C ATOM 1061 CG HIS B 45 4.480 -6.296 3.410 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.371 -6.851 4.303 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.653 -4.952 3.497 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.043 -5.850 4.889 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.647 -4.679 4.433 1.00 0.00 N ATOM 0 H HIS B 45 4.631 -6.764 -0.137 1.00 0.00 H new ATOM 0 HA HIS B 45 4.891 -8.701 2.059 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.889 -6.416 2.012 1.00 0.00 H new ATOM 0 HB3 HIS B 45 2.930 -7.725 3.177 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.497 -7.847 4.486 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.107 -4.213 2.930 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.809 -5.986 5.638 1.00 0.00 H new ATOM 1073 N MET B 46 3.253 -10.040 0.808 1.00 0.00 N ATOM 1074 CA MET B 46 2.326 -10.864 0.072 1.00 0.00 C ATOM 1075 C MET B 46 0.940 -10.676 0.654 1.00 0.00 C ATOM 1076 O MET B 46 0.790 -10.483 1.860 1.00 0.00 O ATOM 1077 CB MET B 46 2.738 -12.331 0.158 1.00 0.00 C ATOM 1078 CG MET B 46 3.931 -12.700 -0.710 1.00 0.00 C ATOM 1079 SD MET B 46 3.549 -12.686 -2.472 1.00 0.00 S ATOM 1080 CE MET B 46 5.040 -13.415 -3.144 1.00 0.00 C ATOM 0 H MET B 46 3.888 -10.556 1.417 1.00 0.00 H new ATOM 0 HA MET B 46 2.328 -10.571 -0.978 1.00 0.00 H new ATOM 0 HB2 MET B 46 2.971 -12.570 1.196 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.889 -12.952 -0.129 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.745 -12.002 -0.515 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.286 -13.691 -0.428 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.958 -13.475 -4.229 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.898 -12.798 -2.878 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.172 -14.416 -2.734 1.00 0.00 H new ATOM 1090 N TYR B 47 -0.065 -10.703 -0.197 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.449 -10.541 0.254 1.00 0.00 C ATOM 1092 C TYR B 47 -1.865 -11.626 1.253 1.00 0.00 C ATOM 1093 O TYR B 47 -2.929 -11.538 1.857 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.403 -10.520 -0.939 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.193 -9.328 -1.840 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -2.070 -8.051 -1.310 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.099 -9.480 -3.212 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.863 -6.960 -2.126 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.888 -8.393 -4.035 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.770 -7.135 -3.487 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.557 -6.050 -4.304 1.00 0.00 O ATOM 0 H TYR B 47 0.041 -10.835 -1.203 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.507 -9.584 0.773 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.272 -11.434 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.431 -10.517 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -2.138 -7.910 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.192 -10.465 -3.645 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.774 -5.972 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.816 -8.528 -5.104 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.044 -6.329 -5.091 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.033 -12.647 1.414 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.313 -13.717 2.362 1.00 0.00 C ATOM 1113 C ALA B 48 -0.742 -13.377 3.735 1.00 0.00 C ATOM 1114 O ALA B 48 -1.174 -13.925 4.748 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.747 -15.037 1.866 1.00 0.00 C ATOM 0 H ALA B 48 -0.159 -12.756 0.900 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.395 -13.819 2.451 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.968 -15.822 2.589 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.199 -15.289 0.907 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.333 -14.948 1.745 1.00 0.00 H new ATOM 1121 N ASP B 49 0.233 -12.470 3.762 1.00 0.00 N ATOM 1122 CA ASP B 49 0.860 -12.060 5.016 1.00 0.00 C ATOM 1123 C ASP B 49 0.150 -10.836 5.563 1.00 0.00 C ATOM 1124 O ASP B 49 0.390 -10.417 6.697 1.00 0.00 O ATOM 1125 CB ASP B 49 2.350 -11.718 4.845 1.00 0.00 C ATOM 1126 CG ASP B 49 3.049 -12.483 3.737 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.882 -13.716 3.653 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.774 -11.837 2.945 1.00 0.00 O ATOM 0 H ASP B 49 0.604 -12.007 2.933 1.00 0.00 H new ATOM 0 HA ASP B 49 0.780 -12.903 5.702 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.444 -10.650 4.647 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.865 -11.914 5.785 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.706 -10.250 4.743 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.467 -9.080 5.138 1.00 0.00 C ATOM 1135 C ILE B 50 -2.800 -9.519 5.722 1.00 0.00 C ATOM 1136 O ILE B 50 -3.662 -10.036 5.014 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.703 -8.130 3.952 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.366 -7.689 3.353 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.521 -6.920 4.385 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.499 -6.966 2.031 1.00 0.00 C ATOM 0 H ILE B 50 -0.891 -10.570 3.792 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.892 -8.537 5.888 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.267 -8.665 3.188 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.143 -7.037 4.063 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.267 -8.566 3.215 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.676 -6.261 3.531 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.486 -7.251 4.768 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.987 -6.380 5.167 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.490 -6.685 1.669 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.979 -7.622 1.304 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.104 -6.070 2.166 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.959 -9.309 7.015 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.163 -9.715 7.714 1.00 0.00 C ATOM 1154 C LYS B 51 -5.315 -8.740 7.469 1.00 0.00 C ATOM 1155 O LYS B 51 -6.450 -9.165 7.255 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.860 -9.853 9.209 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.052 -10.280 10.043 1.00 0.00 C ATOM 1158 CD LYS B 51 -5.683 -9.087 10.725 1.00 0.00 C ATOM 1159 CE LYS B 51 -7.188 -9.254 10.874 1.00 0.00 C ATOM 1160 NZ LYS B 51 -7.868 -9.447 9.560 1.00 0.00 N ATOM 0 H LYS B 51 -2.263 -8.856 7.607 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.484 -10.681 7.324 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.058 -10.579 9.341 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.490 -8.899 9.584 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.788 -10.773 9.408 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.737 -11.008 10.791 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -5.233 -8.950 11.708 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.472 -8.186 10.150 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -7.395 -10.110 11.517 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -7.602 -8.376 11.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -8.583 -8.703 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -7.166 -9.394 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -8.330 -10.379 9.542 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.037 -7.444 7.523 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.080 -6.439 7.286 1.00 0.00 C ATOM 1176 C CYS B 52 -5.500 -5.176 6.675 1.00 0.00 C ATOM 1177 O CYS B 52 -4.282 -5.023 6.584 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.847 -6.086 8.570 1.00 0.00 C ATOM 1179 SG CYS B 52 -5.855 -5.978 10.068 1.00 0.00 S ATOM 0 H CYS B 52 -4.113 -7.062 7.725 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.783 -6.885 6.582 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -7.350 -5.131 8.420 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.624 -6.834 8.724 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.588 -5.526 11.042 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.375 -4.265 6.271 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.955 -3.022 5.665 1.00 0.00 C ATOM 1187 C GLN B 53 -6.716 -1.877 6.286 1.00 0.00 C ATOM 1188 O GLN B 53 -7.895 -2.013 6.617 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.200 -3.046 4.157 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.613 -3.437 3.771 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.909 -3.132 2.320 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -7.701 -3.967 1.446 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.375 -1.926 2.056 1.00 0.00 N ATOM 0 H GLN B 53 -7.386 -4.371 6.356 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.887 -2.891 5.839 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.982 -2.060 3.747 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.501 -3.744 3.696 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.757 -4.502 3.954 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.322 -2.905 4.405 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.533 -1.263 2.815 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.577 -1.657 1.093 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.024 -0.782 6.508 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.646 0.392 7.049 1.00 0.00 C ATOM 1204 C LYS B 54 -6.436 1.556 6.104 1.00 0.00 C ATOM 1205 O LYS B 54 -5.467 1.585 5.339 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.059 0.825 8.382 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.480 -0.231 9.293 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.118 0.450 10.605 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.293 -0.433 11.821 1.00 0.00 C ATOM 1210 NZ LYS B 54 -5.676 0.358 13.021 1.00 0.00 N ATOM 0 H LYS B 54 -5.026 -0.686 6.319 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.696 0.134 7.185 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.274 1.553 8.177 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -6.841 1.347 8.934 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.202 -1.030 9.462 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.599 -0.687 8.841 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.081 0.784 10.556 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.735 1.341 10.723 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.058 -1.183 11.620 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.365 -0.969 12.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.048 -0.280 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.841 0.858 13.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.407 1.050 12.761 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.324 2.526 6.187 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.199 3.740 5.370 1.00 0.00 C ATOM 1226 C ILE B 55 -7.351 5.014 6.209 1.00 0.00 C ATOM 1227 O ILE B 55 -8.365 5.217 6.876 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.191 3.794 4.185 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.638 3.701 4.656 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -7.895 2.693 3.184 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.607 3.489 3.518 1.00 0.00 C ATOM 0 H ILE B 55 -8.137 2.509 6.803 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.191 3.692 4.958 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.059 4.760 3.697 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.733 2.880 5.367 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.902 4.615 5.188 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.605 2.751 2.359 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.882 2.813 2.800 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -7.985 1.723 3.673 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.622 3.430 3.911 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.536 4.323 2.819 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.364 2.561 3.001 1.00 0.00 H new ATOM 1243 N SER B 56 -6.305 5.844 6.220 1.00 0.00 N ATOM 1244 CA SER B 56 -6.340 7.103 6.952 1.00 0.00 C ATOM 1245 C SER B 56 -7.104 8.142 6.161 1.00 0.00 C ATOM 1246 O SER B 56 -6.675 8.517 5.056 1.00 0.00 O ATOM 1247 CB SER B 56 -4.942 7.630 7.221 1.00 0.00 C ATOM 1248 OG SER B 56 -4.405 7.092 8.413 1.00 0.00 O ATOM 0 H SER B 56 -5.428 5.664 5.731 1.00 0.00 H new ATOM 0 HA SER B 56 -6.834 6.912 7.905 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.291 7.381 6.383 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.969 8.717 7.292 1.00 0.00 H new ATOM 0 HG SER B 56 -4.477 6.115 8.392 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.208 8.639 6.747 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.091 9.625 6.123 1.00 0.00 C ATOM 1256 C PRO B 57 -8.408 10.951 5.829 1.00 0.00 C ATOM 1257 O PRO B 57 -7.370 11.279 6.414 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.166 9.874 7.179 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.546 9.449 8.460 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.666 8.293 8.103 1.00 0.00 C ATOM 0 HA PRO B 57 -9.452 9.251 5.165 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.455 10.925 7.209 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.069 9.301 6.967 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.970 10.259 8.907 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.304 9.158 9.187 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.832 8.190 8.798 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.212 7.350 8.117 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.002 11.711 4.930 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.499 13.021 4.592 1.00 0.00 C ATOM 1270 C GLU B 58 -8.908 13.995 5.694 1.00 0.00 C ATOM 1271 O GLU B 58 -10.091 14.243 5.918 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.029 13.482 3.222 1.00 0.00 C ATOM 1273 CG GLU B 58 -10.414 12.947 2.864 1.00 0.00 C ATOM 1274 CD GLU B 58 -10.375 11.546 2.276 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -10.409 10.570 3.057 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -10.301 11.414 1.041 1.00 0.00 O ATOM 0 H GLU B 58 -9.841 11.437 4.418 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.412 12.987 4.517 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.060 14.571 3.207 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.324 13.172 2.451 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.038 12.943 3.758 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.885 13.622 2.149 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.916 14.521 6.388 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.163 15.442 7.478 1.00 0.00 C ATOM 1285 C GLY B 59 -6.864 15.891 8.093 1.00 0.00 C ATOM 1286 O GLY B 59 -6.698 17.056 8.449 1.00 0.00 O ATOM 0 H GLY B 59 -6.930 14.325 6.215 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.717 16.307 7.113 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.784 14.962 8.234 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.938 14.948 8.229 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.621 15.252 8.755 1.00 0.00 C ATOM 1292 C LYS B 60 -3.814 15.916 7.648 1.00 0.00 C ATOM 1293 O LYS B 60 -4.302 16.063 6.528 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.908 13.976 9.240 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.461 13.411 10.544 1.00 0.00 C ATOM 1296 CD LYS B 60 -3.497 13.612 11.713 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.655 12.367 11.977 1.00 0.00 C ATOM 1298 NZ LYS B 60 -2.069 12.364 13.348 1.00 0.00 N ATOM 0 H LYS B 60 -6.079 13.969 7.981 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.715 15.918 9.613 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.984 13.213 8.465 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.848 14.193 9.371 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.412 13.892 10.772 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.663 12.347 10.421 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.841 14.456 11.501 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.062 13.865 12.610 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.272 11.478 11.846 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.853 12.310 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.506 11.500 13.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.459 13.198 13.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.834 12.392 14.052 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.580 16.289 7.937 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.733 16.929 6.937 1.00 0.00 C ATOM 1314 C ALA B 61 -1.195 15.905 5.938 1.00 0.00 C ATOM 1315 O ALA B 61 -0.263 16.190 5.186 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.587 17.664 7.616 1.00 0.00 C ATOM 0 H ALA B 61 -2.141 16.162 8.849 1.00 0.00 H new ATOM 0 HA ALA B 61 -2.337 17.650 6.386 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.039 18.138 6.861 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.989 18.425 8.285 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.010 16.956 8.190 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.785 14.710 5.939 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.367 13.639 5.057 1.00 0.00 C ATOM 1324 C LYS B 62 -2.407 12.515 5.039 1.00 0.00 C ATOM 1325 O LYS B 62 -3.046 12.232 6.057 1.00 0.00 O ATOM 1326 CB LYS B 62 0.000 13.108 5.506 1.00 0.00 C ATOM 1327 CG LYS B 62 0.223 13.178 7.013 1.00 0.00 C ATOM 1328 CD LYS B 62 1.702 13.209 7.362 1.00 0.00 C ATOM 1329 CE LYS B 62 2.195 11.861 7.865 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.153 10.827 6.803 1.00 0.00 N ATOM 0 H LYS B 62 -2.563 14.465 6.552 1.00 0.00 H new ATOM 0 HA LYS B 62 -1.280 14.028 4.042 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.102 12.073 5.181 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.783 13.678 5.005 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.264 14.068 7.412 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.246 12.317 7.491 1.00 0.00 H new ATOM 0 HD2 LYS B 62 2.276 13.500 6.483 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.879 13.968 8.124 1.00 0.00 H new ATOM 0 HE2 LYS B 62 3.216 11.962 8.234 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.582 11.541 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.416 9.905 7.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 1.192 10.772 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 2.822 11.078 6.048 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.576 11.901 3.873 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.526 10.800 3.680 1.00 0.00 C ATOM 1346 C ILE B 63 -2.748 9.484 3.693 1.00 0.00 C ATOM 1347 O ILE B 63 -1.659 9.416 3.116 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.295 10.966 2.338 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -5.241 12.169 2.407 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -5.075 9.710 1.973 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.643 13.450 1.863 1.00 0.00 C ATOM 0 H ILE B 63 -2.059 12.150 3.030 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.262 10.804 4.484 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.553 11.137 1.558 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.149 11.938 1.850 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.536 12.329 3.444 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.598 9.868 1.030 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.387 8.871 1.871 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.800 9.491 2.757 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -5.372 14.256 1.946 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.752 13.707 2.435 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -4.374 13.310 0.816 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.273 8.430 4.334 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.497 7.181 4.405 1.00 0.00 C ATOM 1365 C GLN B 64 -3.302 5.911 4.141 1.00 0.00 C ATOM 1366 O GLN B 64 -4.529 5.897 4.185 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.803 7.024 5.769 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.689 8.014 6.048 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.174 9.302 6.671 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.555 10.339 6.499 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.265 9.244 7.419 1.00 0.00 N ATOM 0 H GLN B 64 -4.185 8.411 4.790 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.768 7.284 3.601 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.554 7.117 6.553 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.395 6.015 5.837 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.041 7.551 6.711 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.173 8.242 5.115 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.755 8.357 7.539 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.616 10.086 7.876 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.551 4.847 3.868 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.073 3.505 3.625 1.00 0.00 C ATOM 1382 C LEU B 65 -2.146 2.515 4.329 1.00 0.00 C ATOM 1383 O LEU B 65 -0.976 2.449 3.987 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.051 3.191 2.144 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.104 2.198 1.678 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.351 2.918 1.233 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.537 1.331 0.579 1.00 0.00 C ATOM 0 H LEU B 65 -1.534 4.896 3.808 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.097 3.438 3.992 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.180 4.121 1.590 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.067 2.800 1.886 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.383 1.552 2.510 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.093 2.191 0.903 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.754 3.496 2.065 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.109 3.589 0.409 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.295 0.621 0.248 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.236 1.958 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.670 0.787 0.955 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.627 1.732 5.279 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.726 0.831 5.993 1.00 0.00 C ATOM 1401 C GLN B 66 -2.200 -0.610 5.991 1.00 0.00 C ATOM 1402 O GLN B 66 -3.395 -0.892 5.929 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.493 1.304 7.430 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.480 0.749 8.430 1.00 0.00 C ATOM 1405 CD GLN B 66 -1.844 0.436 9.765 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.262 -0.628 9.943 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -1.981 1.343 10.720 1.00 0.00 N ATOM 0 H GLN B 66 -3.604 1.697 5.571 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.782 0.860 5.448 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.485 1.022 7.735 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.540 2.393 7.455 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.286 1.468 8.576 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.930 -0.157 8.025 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.473 2.215 10.528 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.594 1.169 11.648 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.237 -1.511 6.056 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.510 -2.933 6.066 1.00 0.00 C ATOM 1418 C LEU B 67 -1.110 -3.554 7.396 1.00 0.00 C ATOM 1419 O LEU B 67 0.017 -3.378 7.859 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.734 -3.618 4.942 1.00 0.00 C ATOM 1421 CG LEU B 67 -0.623 -2.812 3.654 1.00 0.00 C ATOM 1422 CD1 LEU B 67 0.670 -3.147 2.931 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -1.823 -3.074 2.758 1.00 0.00 C ATOM 0 H LEU B 67 -0.246 -1.276 6.103 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.581 -3.073 5.919 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.271 -3.844 5.299 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.214 -4.570 4.717 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.611 -1.752 3.907 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.735 -2.563 2.013 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.518 -2.909 3.573 1.00 0.00 H new ATOM 0 HD13 LEU B 67 0.686 -4.209 2.688 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.728 -2.490 1.842 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.867 -4.134 2.510 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.736 -2.785 3.279 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.044 -4.257 8.007 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.793 -4.953 9.261 1.00 0.00 C ATOM 1437 C VAL B 68 -1.450 -6.385 8.917 1.00 0.00 C ATOM 1438 O VAL B 68 -2.310 -7.147 8.483 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.005 -4.904 10.209 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.737 -5.697 11.483 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.369 -3.464 10.537 1.00 0.00 C ATOM 0 H VAL B 68 -2.995 -4.364 7.653 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.974 -4.465 9.789 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.851 -5.365 9.700 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.610 -5.645 12.134 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.536 -6.738 11.228 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.874 -5.276 11.999 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.228 -3.450 11.208 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.523 -2.976 11.020 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.618 -2.933 9.618 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.193 -6.745 9.085 1.00 0.00 N ATOM 1452 CA LEU B 69 0.256 -8.073 8.713 1.00 0.00 C ATOM 1453 C LEU B 69 0.089 -9.087 9.837 1.00 0.00 C ATOM 1454 O LEU B 69 -0.037 -8.729 11.007 1.00 0.00 O ATOM 1455 CB LEU B 69 1.711 -8.033 8.266 1.00 0.00 C ATOM 1456 CG LEU B 69 2.163 -6.719 7.629 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.666 -6.720 7.423 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.446 -6.478 6.312 1.00 0.00 C ATOM 0 H LEU B 69 0.532 -6.142 9.474 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.376 -8.398 7.887 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.345 -8.236 9.129 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.877 -8.840 7.552 1.00 0.00 H new ATOM 0 HG LEU B 69 1.905 -5.906 8.308 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.972 -5.778 6.969 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.165 -6.838 8.385 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.943 -7.545 6.767 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.786 -5.537 5.880 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.666 -7.294 5.623 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.371 -6.430 6.486 1.00 0.00 H new ATOM 1470 N HIS B 70 0.109 -10.363 9.455 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.033 -11.474 10.403 1.00 0.00 C ATOM 1472 C HIS B 70 1.125 -11.505 11.396 1.00 0.00 C ATOM 1473 O HIS B 70 1.016 -12.084 12.472 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.086 -12.820 9.665 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.255 -12.972 8.742 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -2.047 -14.094 8.672 1.00 0.00 N ATOM 1477 CD2 HIS B 70 -1.757 -12.112 7.829 1.00 0.00 C ATOM 1478 CE1 HIS B 70 -2.981 -13.875 7.738 1.00 0.00 C ATOM 1479 NE2 HIS B 70 -2.848 -12.688 7.201 1.00 0.00 N ATOM 0 H HIS B 70 0.223 -10.658 8.485 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.966 -11.315 10.944 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.833 -12.943 9.092 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.112 -13.624 10.401 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.942 -14.941 9.231 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.367 -11.127 7.621 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.746 -14.586 7.463 1.00 0.00 H new ATOM 1487 N ALA B 71 2.234 -10.880 11.020 1.00 0.00 N ATOM 1488 CA ALA B 71 3.416 -10.842 11.871 1.00 0.00 C ATOM 1489 C ALA B 71 3.285 -9.778 12.958 1.00 0.00 C ATOM 1490 O ALA B 71 4.153 -9.653 13.819 1.00 0.00 O ATOM 1491 CB ALA B 71 4.659 -10.590 11.031 1.00 0.00 C ATOM 0 H ALA B 71 2.339 -10.392 10.130 1.00 0.00 H new ATOM 0 HA ALA B 71 3.509 -11.811 12.362 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.536 -10.564 11.678 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.772 -11.390 10.299 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.561 -9.636 10.513 1.00 0.00 H new ATOM 1497 N GLY B 72 2.204 -9.008 12.906 1.00 0.00 N ATOM 1498 CA GLY B 72 1.991 -7.966 13.892 1.00 0.00 C ATOM 1499 C GLY B 72 2.518 -6.627 13.425 1.00 0.00 C ATOM 1500 O GLY B 72 2.185 -5.587 13.991 1.00 0.00 O ATOM 0 H GLY B 72 1.472 -9.087 12.200 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.926 -7.882 14.106 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.482 -8.244 14.825 1.00 0.00 H new ATOM 1504 N ASP B 73 3.345 -6.662 12.389 1.00 0.00 N ATOM 1505 CA ASP B 73 3.929 -5.453 11.823 1.00 0.00 C ATOM 1506 C ASP B 73 2.881 -4.688 11.024 1.00 0.00 C ATOM 1507 O ASP B 73 1.924 -5.281 10.510 1.00 0.00 O ATOM 1508 CB ASP B 73 5.127 -5.808 10.937 1.00 0.00 C ATOM 1509 CG ASP B 73 5.745 -4.592 10.276 1.00 0.00 C ATOM 1510 OD1 ASP B 73 6.180 -3.677 11.005 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.792 -4.555 9.029 1.00 0.00 O ATOM 0 H ASP B 73 3.629 -7.522 11.920 1.00 0.00 H new ATOM 0 HA ASP B 73 4.278 -4.816 12.636 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.882 -6.313 11.539 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.809 -6.512 10.168 1.00 0.00 H new ATOM 1516 N THR B 74 3.055 -3.380 10.925 1.00 0.00 N ATOM 1517 CA THR B 74 2.116 -2.539 10.208 1.00 0.00 C ATOM 1518 C THR B 74 2.850 -1.590 9.266 1.00 0.00 C ATOM 1519 O THR B 74 3.807 -0.925 9.661 1.00 0.00 O ATOM 1520 CB THR B 74 1.266 -1.719 11.198 1.00 0.00 C ATOM 1521 OG1 THR B 74 2.121 -1.083 12.158 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.262 -2.606 11.923 1.00 0.00 C ATOM 0 H THR B 74 3.842 -2.878 11.335 1.00 0.00 H new ATOM 0 HA THR B 74 1.465 -3.187 9.622 1.00 0.00 H new ATOM 0 HB THR B 74 0.717 -0.965 10.633 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.948 -0.793 11.719 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.324 -2.002 12.615 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.403 -3.073 11.196 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.794 -3.379 12.477 1.00 0.00 H new ATOM 1530 N THR B 75 2.383 -1.516 8.031 1.00 0.00 N ATOM 1531 CA THR B 75 2.997 -0.656 7.033 1.00 0.00 C ATOM 1532 C THR B 75 2.036 0.446 6.590 1.00 0.00 C ATOM 1533 O THR B 75 1.144 0.203 5.777 1.00 0.00 O ATOM 1534 CB THR B 75 3.419 -1.484 5.805 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.545 -2.866 6.173 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.738 -0.983 5.237 1.00 0.00 C ATOM 0 H THR B 75 1.577 -2.043 7.694 1.00 0.00 H new ATOM 0 HA THR B 75 3.875 -0.195 7.486 1.00 0.00 H new ATOM 0 HB THR B 75 2.652 -1.376 5.038 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.196 -3.303 5.585 1.00 0.00 H new ATOM 0 HG21 THR B 75 5.013 -1.585 4.371 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.632 0.059 4.936 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.515 -1.064 5.997 1.00 0.00 H new ATOM 1544 N ASN B 76 2.201 1.653 7.133 1.00 0.00 N ATOM 1545 CA ASN B 76 1.335 2.772 6.776 1.00 0.00 C ATOM 1546 C ASN B 76 1.956 3.561 5.627 1.00 0.00 C ATOM 1547 O ASN B 76 3.028 4.146 5.768 1.00 0.00 O ATOM 1548 CB ASN B 76 1.042 3.721 7.972 1.00 0.00 C ATOM 1549 CG ASN B 76 1.043 3.057 9.353 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.812 2.141 9.631 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.184 3.543 10.242 1.00 0.00 N ATOM 0 H ASN B 76 2.923 1.878 7.818 1.00 0.00 H new ATOM 0 HA ASN B 76 0.379 2.347 6.469 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.784 4.519 7.971 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.070 4.189 7.813 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.151 3.155 11.185 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.443 4.305 9.982 1.00 0.00 H new ATOM 1558 N PHE B 77 1.271 3.563 4.493 1.00 0.00 N ATOM 1559 CA PHE B 77 1.733 4.259 3.296 1.00 0.00 C ATOM 1560 C PHE B 77 1.160 5.665 3.239 1.00 0.00 C ATOM 1561 O PHE B 77 -0.038 5.863 3.411 1.00 0.00 O ATOM 1562 CB PHE B 77 1.353 3.486 2.032 1.00 0.00 C ATOM 1563 CG PHE B 77 2.260 2.322 1.760 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.626 2.510 1.652 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.749 1.041 1.614 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.468 1.448 1.404 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.590 -0.026 1.364 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.950 0.176 1.259 1.00 0.00 C ATOM 0 H PHE B 77 0.379 3.083 4.374 1.00 0.00 H new ATOM 0 HA PHE B 77 2.820 4.325 3.347 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.328 3.126 2.127 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.375 4.163 1.178 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.038 3.502 1.764 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.685 0.876 1.696 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.533 1.610 1.323 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.182 -1.019 1.251 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.608 -0.658 1.064 1.00 0.00 H new ATOM 1578 N HIS B 78 2.025 6.625 2.991 1.00 0.00 N ATOM 1579 CA HIS B 78 1.651 8.024 2.937 1.00 0.00 C ATOM 1580 C HIS B 78 1.663 8.550 1.500 1.00 0.00 C ATOM 1581 O HIS B 78 2.716 8.658 0.880 1.00 0.00 O ATOM 1582 CB HIS B 78 2.651 8.780 3.823 1.00 0.00 C ATOM 1583 CG HIS B 78 2.678 10.279 3.715 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.702 11.042 4.233 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.810 11.156 3.151 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.438 12.325 3.974 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.300 12.450 3.318 1.00 0.00 N ATOM 0 H HIS B 78 3.016 6.456 2.820 1.00 0.00 H new ATOM 0 HA HIS B 78 0.632 8.167 3.297 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.443 8.521 4.861 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.650 8.408 3.596 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.888 10.894 2.653 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.072 13.151 4.263 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.867 13.317 2.998 1.00 0.00 H new ATOM 1595 N PHE B 79 0.491 8.867 0.965 1.00 0.00 N ATOM 1596 CA PHE B 79 0.418 9.415 -0.383 1.00 0.00 C ATOM 1597 C PHE B 79 0.691 10.911 -0.311 1.00 0.00 C ATOM 1598 O PHE B 79 -0.232 11.710 -0.163 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.948 9.184 -1.044 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.358 7.748 -1.207 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -0.881 6.991 -2.264 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -2.257 7.171 -0.326 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.295 5.683 -2.439 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -2.668 5.864 -0.492 1.00 0.00 C ATOM 1605 CZ PHE B 79 -2.190 5.119 -1.550 1.00 0.00 C ATOM 0 H PHE B 79 -0.408 8.757 1.434 1.00 0.00 H new ATOM 0 HA PHE B 79 1.161 8.902 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.708 9.695 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.939 9.654 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.178 7.427 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.641 7.750 0.501 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -0.919 5.103 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.364 5.424 0.207 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.514 4.098 -1.683 1.00 0.00 H new ATOM 1615 N SER B 80 1.955 11.290 -0.401 1.00 0.00 N ATOM 1616 CA SER B 80 2.335 12.691 -0.316 1.00 0.00 C ATOM 1617 C SER B 80 2.176 13.405 -1.654 1.00 0.00 C ATOM 1618 O SER B 80 3.040 14.180 -2.062 1.00 0.00 O ATOM 1619 CB SER B 80 3.771 12.808 0.183 1.00 0.00 C ATOM 1620 OG SER B 80 4.537 11.682 -0.209 1.00 0.00 O ATOM 0 H SER B 80 2.736 10.647 -0.533 1.00 0.00 H new ATOM 0 HA SER B 80 1.665 13.178 0.392 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.225 13.717 -0.213 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.776 12.896 1.269 1.00 0.00 H new ATOM 0 HG SER B 80 4.413 11.520 -1.168 1.00 0.00 H new ATOM 1626 N ASN B 81 1.077 13.131 -2.336 1.00 0.00 N ATOM 1627 CA ASN B 81 0.796 13.768 -3.610 1.00 0.00 C ATOM 1628 C ASN B 81 -0.577 14.409 -3.570 1.00 0.00 C ATOM 1629 O ASN B 81 -1.591 13.738 -3.719 1.00 0.00 O ATOM 1630 CB ASN B 81 0.882 12.779 -4.767 1.00 0.00 C ATOM 1631 CG ASN B 81 1.036 13.488 -6.103 1.00 0.00 C ATOM 1632 OD1 ASN B 81 1.628 14.563 -6.184 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.497 12.904 -7.155 1.00 0.00 N ATOM 0 H ASN B 81 0.364 12.470 -2.028 1.00 0.00 H new ATOM 0 HA ASN B 81 1.553 14.535 -3.777 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.728 12.109 -4.611 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.015 12.161 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.564 13.344 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.013 12.012 -7.051 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.578 15.711 -3.362 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.790 16.526 -3.264 1.00 0.00 C ATOM 1642 C GLU B 82 -2.829 16.198 -4.342 1.00 0.00 C ATOM 1643 O GLU B 82 -4.030 16.207 -4.079 1.00 0.00 O ATOM 1644 CB GLU B 82 -1.428 18.018 -3.375 1.00 0.00 C ATOM 1645 CG GLU B 82 -0.114 18.412 -2.702 1.00 0.00 C ATOM 1646 CD GLU B 82 1.112 17.980 -3.491 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.383 18.557 -4.559 1.00 0.00 O ATOM 1648 OE2 GLU B 82 1.789 17.025 -3.056 1.00 0.00 O ATOM 0 H GLU B 82 0.280 16.252 -3.253 1.00 0.00 H new ATOM 0 HA GLU B 82 -2.233 16.298 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.374 18.286 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -2.234 18.606 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.091 19.494 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.074 17.967 -1.708 1.00 0.00 H new ATOM 1655 N SER B 83 -2.365 15.894 -5.544 1.00 0.00 N ATOM 1656 CA SER B 83 -3.258 15.628 -6.663 1.00 0.00 C ATOM 1657 C SER B 83 -3.719 14.167 -6.782 1.00 0.00 C ATOM 1658 O SER B 83 -4.662 13.886 -7.522 1.00 0.00 O ATOM 1659 CB SER B 83 -2.556 16.055 -7.951 1.00 0.00 C ATOM 1660 OG SER B 83 -1.176 16.290 -7.712 1.00 0.00 O ATOM 0 H SER B 83 -1.373 15.825 -5.771 1.00 0.00 H new ATOM 0 HA SER B 83 -4.167 16.203 -6.484 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.673 15.281 -8.709 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.022 16.959 -8.343 1.00 0.00 H new ATOM 0 HG SER B 83 -0.741 16.561 -8.547 1.00 0.00 H new ATOM 1666 N THR B 84 -3.089 13.230 -6.077 1.00 0.00 N ATOM 1667 CA THR B 84 -3.491 11.828 -6.213 1.00 0.00 C ATOM 1668 C THR B 84 -3.707 11.116 -4.874 1.00 0.00 C ATOM 1669 O THR B 84 -4.278 10.032 -4.838 1.00 0.00 O ATOM 1670 CB THR B 84 -2.457 11.028 -7.036 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.196 10.998 -6.359 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.283 11.617 -8.429 1.00 0.00 C ATOM 0 H THR B 84 -2.323 13.404 -5.426 1.00 0.00 H new ATOM 0 HA THR B 84 -4.449 11.858 -6.731 1.00 0.00 H new ATOM 0 HB THR B 84 -2.832 10.010 -7.140 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.595 10.372 -6.814 1.00 0.00 H new ATOM 0 HG21 THR B 84 -1.549 11.031 -8.983 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.237 11.594 -8.955 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.938 12.648 -8.348 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.283 11.738 -3.786 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.384 11.153 -2.446 1.00 0.00 C ATOM 1682 C ALA B 85 -4.741 10.516 -2.172 1.00 0.00 C ATOM 1683 O ALA B 85 -4.826 9.361 -1.763 1.00 0.00 O ATOM 1684 CB ALA B 85 -3.097 12.215 -1.397 1.00 0.00 C ATOM 0 H ALA B 85 -2.857 12.665 -3.800 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.642 10.356 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -3.174 11.775 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -2.091 12.608 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.820 13.025 -1.492 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.784 11.276 -2.418 1.00 0.00 N ATOM 1691 CA VAL B 86 -7.152 10.831 -2.177 1.00 0.00 C ATOM 1692 C VAL B 86 -7.594 9.696 -3.116 1.00 0.00 C ATOM 1693 O VAL B 86 -7.995 8.620 -2.662 1.00 0.00 O ATOM 1694 CB VAL B 86 -8.117 12.020 -2.328 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.571 11.570 -2.246 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.825 13.080 -1.278 1.00 0.00 C ATOM 0 H VAL B 86 -5.715 12.223 -2.791 1.00 0.00 H new ATOM 0 HA VAL B 86 -7.179 10.436 -1.161 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.959 12.454 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.226 12.434 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.776 10.855 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.752 11.099 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.517 13.913 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.946 12.650 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.802 13.437 -1.397 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.491 9.926 -4.422 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.940 8.942 -5.406 1.00 0.00 C ATOM 1708 C LYS B 87 -7.142 7.654 -5.326 1.00 0.00 C ATOM 1709 O LYS B 87 -7.706 6.561 -5.326 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.823 9.494 -6.826 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.280 10.932 -6.987 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.150 11.815 -7.495 1.00 0.00 C ATOM 1713 CE LYS B 87 -6.822 11.561 -8.966 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.140 10.252 -9.194 1.00 0.00 N ATOM 0 H LYS B 87 -7.103 10.780 -4.823 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.983 8.729 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.784 9.419 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.408 8.864 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -9.119 10.974 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.640 11.311 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -7.424 12.862 -7.363 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.259 11.641 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -7.743 11.591 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.185 12.365 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.592 10.295 -10.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -5.501 10.051 -8.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.852 9.497 -9.265 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.830 7.791 -5.243 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.948 6.643 -5.200 1.00 0.00 C ATOM 1730 C GLU B 88 -5.173 5.858 -3.921 1.00 0.00 C ATOM 1731 O GLU B 88 -5.032 4.638 -3.899 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.494 7.094 -5.329 1.00 0.00 C ATOM 1733 CG GLU B 88 -3.084 7.478 -6.752 1.00 0.00 C ATOM 1734 CD GLU B 88 -4.222 8.029 -7.607 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -4.585 9.214 -7.438 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -4.754 7.290 -8.453 1.00 0.00 O ATOM 0 H GLU B 88 -5.352 8.691 -5.204 1.00 0.00 H new ATOM 0 HA GLU B 88 -5.172 5.985 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -3.330 7.948 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.844 6.293 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.290 8.223 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.666 6.601 -7.246 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.546 6.563 -2.861 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.834 5.929 -1.585 1.00 0.00 C ATOM 1745 C ARG B 89 -6.929 4.900 -1.779 1.00 0.00 C ATOM 1746 O ARG B 89 -6.812 3.754 -1.350 1.00 0.00 O ATOM 1747 CB ARG B 89 -6.271 6.985 -0.557 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.487 6.461 0.858 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.939 6.059 1.123 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.911 6.932 0.457 1.00 0.00 N ATOM 1751 CZ ARG B 89 -9.365 8.085 0.953 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.934 8.541 2.122 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -10.273 8.773 0.278 1.00 0.00 N ATOM 0 H ARG B 89 -5.656 7.577 -2.862 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.936 5.436 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -5.517 7.772 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -7.197 7.444 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.840 5.600 1.025 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.190 7.227 1.574 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.092 5.033 0.788 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.123 6.074 2.197 1.00 0.00 H new ATOM 0 HE ARG B 89 -9.266 6.636 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.246 8.009 2.655 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.290 9.424 2.488 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.620 8.421 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.625 9.655 0.650 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.983 5.306 -2.460 1.00 0.00 N ATOM 1768 CA ASP B 90 -9.098 4.414 -2.711 1.00 0.00 C ATOM 1769 C ASP B 90 -8.762 3.385 -3.777 1.00 0.00 C ATOM 1770 O ASP B 90 -9.111 2.218 -3.632 1.00 0.00 O ATOM 1771 CB ASP B 90 -10.345 5.200 -3.099 1.00 0.00 C ATOM 1772 CG ASP B 90 -11.159 5.568 -1.882 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.834 4.670 -1.331 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.089 6.736 -1.454 1.00 0.00 O ATOM 0 H ASP B 90 -8.091 6.243 -2.848 1.00 0.00 H new ATOM 0 HA ASP B 90 -9.302 3.877 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -10.056 6.105 -3.634 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.954 4.607 -3.781 1.00 0.00 H new ATOM 1779 N ALA B 91 -8.035 3.804 -4.807 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.667 2.909 -5.903 1.00 0.00 C ATOM 1781 C ALA B 91 -6.836 1.736 -5.399 1.00 0.00 C ATOM 1782 O ALA B 91 -7.018 0.593 -5.822 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.908 3.673 -6.979 1.00 0.00 C ATOM 0 H ALA B 91 -7.688 4.758 -4.908 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.585 2.511 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.641 2.993 -7.788 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.537 4.473 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -6.002 4.101 -6.551 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.937 2.027 -4.475 1.00 0.00 N ATOM 1790 CA VAL B 92 -5.078 1.009 -3.897 1.00 0.00 C ATOM 1791 C VAL B 92 -5.881 0.167 -2.918 1.00 0.00 C ATOM 1792 O VAL B 92 -5.785 -1.059 -2.923 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.841 1.609 -3.192 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.985 0.508 -2.588 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -3.015 2.435 -4.165 1.00 0.00 C ATOM 0 H VAL B 92 -5.783 2.966 -4.107 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.708 0.387 -4.712 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.191 2.261 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -2.118 0.950 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.572 -0.050 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.650 -0.166 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -2.149 2.848 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.679 1.802 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.624 3.248 -4.560 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.685 0.842 -2.094 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.550 0.174 -1.123 1.00 0.00 C ATOM 1807 C LYS B 93 -8.376 -0.887 -1.832 1.00 0.00 C ATOM 1808 O LYS B 93 -8.511 -2.017 -1.365 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.480 1.197 -0.461 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.548 0.581 0.427 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.776 1.473 0.538 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.745 1.250 -0.616 1.00 0.00 C ATOM 1813 NZ LYS B 93 -11.427 2.099 -1.795 1.00 0.00 N ATOM 0 H LYS B 93 -6.754 1.860 -2.081 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.936 -0.295 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.880 1.885 0.134 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.965 1.787 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.839 -0.389 0.025 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.137 0.404 1.421 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.284 1.276 1.482 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.466 2.518 0.555 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.720 0.201 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -12.760 1.463 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -12.060 1.851 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.558 3.100 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -10.440 1.940 -2.081 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.911 -0.490 -2.978 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.717 -1.352 -3.822 1.00 0.00 C ATOM 1829 C ASP B 94 -8.953 -2.579 -4.281 1.00 0.00 C ATOM 1830 O ASP B 94 -9.363 -3.703 -3.997 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.214 -0.562 -5.032 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.579 0.056 -4.806 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.659 1.112 -4.143 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.574 -0.524 -5.280 1.00 0.00 O ATOM 0 H ASP B 94 -8.794 0.453 -3.350 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.564 -1.700 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.497 0.225 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.257 -1.222 -5.899 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.840 -2.371 -4.974 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.042 -3.489 -5.467 1.00 0.00 C ATOM 1841 C LEU B 95 -6.642 -4.416 -4.333 1.00 0.00 C ATOM 1842 O LEU B 95 -6.689 -5.635 -4.477 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.798 -3.001 -6.218 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.901 -3.034 -7.751 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -6.476 -4.360 -8.230 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -6.742 -1.870 -8.254 1.00 0.00 C ATOM 0 H LEU B 95 -7.471 -1.449 -5.206 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.664 -4.047 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.584 -1.979 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.948 -3.612 -5.914 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.896 -2.936 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.538 -4.358 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -5.830 -5.175 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.472 -4.498 -7.810 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.804 -1.909 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.744 -1.936 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.281 -0.930 -7.951 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.293 -3.837 -3.196 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.881 -4.620 -2.047 1.00 0.00 C ATOM 1860 C LEU B 96 -6.997 -5.534 -1.559 1.00 0.00 C ATOM 1861 O LEU B 96 -6.829 -6.749 -1.504 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.420 -3.716 -0.920 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.157 -2.945 -1.240 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.772 -2.047 -0.081 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.026 -3.892 -1.589 1.00 0.00 C ATOM 0 H LEU B 96 -6.287 -2.828 -3.046 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.047 -5.247 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.216 -3.010 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.252 -4.319 -0.028 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.350 -2.315 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.862 -1.501 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.578 -1.339 0.114 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.599 -2.654 0.808 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.128 -3.318 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.831 -4.553 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.305 -4.487 -2.458 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.145 -4.947 -1.242 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.282 -5.710 -0.736 1.00 0.00 C ATOM 1879 C GLN B 97 -9.834 -6.670 -1.786 1.00 0.00 C ATOM 1880 O GLN B 97 -10.497 -7.646 -1.455 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.381 -4.774 -0.233 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.028 -3.924 -1.306 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.061 -2.975 -0.728 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.288 -1.886 -1.253 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.683 -3.377 0.372 1.00 0.00 N ATOM 0 H GLN B 97 -8.314 -3.945 -1.326 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.924 -6.310 0.101 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.153 -5.370 0.254 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.960 -4.116 0.527 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.261 -3.352 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.502 -4.570 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.466 -4.288 0.777 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.378 -2.775 0.814 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.575 -6.384 -3.050 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.036 -7.246 -4.127 1.00 0.00 C ATOM 1896 C GLN B 98 -9.120 -8.459 -4.270 1.00 0.00 C ATOM 1897 O GLN B 98 -9.565 -9.562 -4.595 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.077 -6.475 -5.444 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.272 -5.544 -5.575 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.200 -4.683 -6.821 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -10.668 -5.104 -7.849 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.727 -3.470 -6.737 1.00 0.00 N ATOM 0 H GLN B 98 -9.050 -5.565 -3.356 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.042 -7.589 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.162 -5.891 -5.541 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.090 -7.186 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.188 -6.134 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.327 -4.902 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.158 -3.161 -5.866 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.701 -2.846 -7.543 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.835 -8.244 -4.038 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.840 -9.303 -4.154 1.00 0.00 C ATOM 1913 C LEU B 99 -6.682 -10.098 -2.861 1.00 0.00 C ATOM 1914 O LEU B 99 -6.466 -11.306 -2.901 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.497 -8.702 -4.568 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.496 -8.075 -5.960 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.388 -7.045 -6.086 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.348 -9.146 -7.031 1.00 0.00 C ATOM 0 H LEU B 99 -7.452 -7.339 -3.766 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.188 -9.999 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.211 -7.943 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.736 -9.482 -4.532 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.452 -7.571 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.406 -6.611 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.537 -6.258 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.424 -7.525 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.350 -8.679 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.409 -9.680 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.179 -9.848 -6.961 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.815 -9.417 -1.729 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.654 -10.030 -0.406 1.00 0.00 C ATOM 1932 C LEU B 100 -7.395 -11.369 -0.232 1.00 0.00 C ATOM 1933 O LEU B 100 -6.756 -12.364 0.093 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.061 -9.045 0.695 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.940 -8.132 1.195 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.483 -7.108 2.180 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.831 -8.952 1.833 1.00 0.00 C ATOM 0 H LEU B 100 -7.038 -8.422 -1.697 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.594 -10.267 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.876 -8.424 0.322 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.452 -9.611 1.541 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.525 -7.598 0.341 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.671 -6.468 2.524 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.242 -6.499 1.690 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.926 -7.623 3.033 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.042 -8.287 2.183 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.233 -9.514 2.676 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.422 -9.645 1.098 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.729 -11.443 -0.457 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.493 -12.696 -0.277 1.00 0.00 C ATOM 1951 C PRO B 101 -9.016 -13.839 -1.172 1.00 0.00 C ATOM 1952 O PRO B 101 -9.414 -14.988 -0.984 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.930 -12.308 -0.643 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.973 -10.828 -0.505 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.606 -10.345 -0.892 1.00 0.00 C ATOM 0 HA PRO B 101 -9.376 -13.074 0.739 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.176 -12.618 -1.659 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.650 -12.788 0.020 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.738 -10.397 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.217 -10.537 0.517 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.529 -10.169 -1.965 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.354 -9.407 -0.396 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.189 -13.522 -2.159 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.663 -14.536 -3.060 1.00 0.00 C ATOM 1965 C LYS B 102 -6.385 -15.149 -2.494 1.00 0.00 C ATOM 1966 O LYS B 102 -5.876 -16.137 -3.019 1.00 0.00 O ATOM 1967 CB LYS B 102 -7.406 -13.942 -4.448 1.00 0.00 C ATOM 1968 CG LYS B 102 -8.678 -13.506 -5.163 1.00 0.00 C ATOM 1969 CD LYS B 102 -8.435 -13.259 -6.644 1.00 0.00 C ATOM 1970 CE LYS B 102 -7.714 -11.943 -6.890 1.00 0.00 C ATOM 1971 NZ LYS B 102 -8.634 -10.776 -6.794 1.00 0.00 N ATOM 0 H LYS B 102 -7.869 -12.573 -2.355 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.407 -15.326 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.740 -13.084 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.888 -14.680 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -9.444 -14.272 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.062 -12.597 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.846 -14.078 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -9.388 -13.255 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -6.908 -11.830 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.253 -11.961 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.198 -9.952 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.532 -11.002 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.815 -10.558 -5.793 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.868 -14.550 -1.425 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.649 -15.038 -0.791 1.00 0.00 C ATOM 1987 C PHE B 103 -4.901 -15.354 0.680 1.00 0.00 C ATOM 1988 O PHE B 103 -4.341 -16.304 1.226 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.525 -14.008 -0.937 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.106 -13.777 -2.362 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -3.771 -12.854 -3.153 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -2.053 -14.489 -2.914 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -3.395 -12.642 -4.464 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -1.672 -14.282 -4.227 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.345 -13.358 -5.002 1.00 0.00 C ATOM 0 H PHE B 103 -6.274 -13.727 -0.981 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.342 -15.957 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.851 -13.062 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.661 -14.341 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.595 -12.293 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.524 -15.213 -2.312 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.921 -11.917 -5.068 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -0.849 -14.842 -4.646 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.050 -13.196 -6.028 1.00 0.00 H new