USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=16 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 76 THR OG1 : rot 180:sc= 0.277 USER MOD Set 1.2: A 90 SER OG : rot 85:sc= 0.292 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.131 (180deg=-0.614) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc=-0.00261 K(o=-0.0026,f=-0.78) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 37:sc= 0.32 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.613 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0683 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -45:sc= 0.674 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-2.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-3.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.53! C(o=-2.5!,f=-5.6!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 104 MET CE :methyl 166:sc= -0.73 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.905 -1.029 12.643 1.00 0.00 N ATOM 105 CA VAL A 11 -0.872 -1.968 11.528 1.00 0.00 C ATOM 106 C VAL A 11 -2.241 -2.084 10.867 1.00 0.00 C ATOM 107 O VAL A 11 -3.260 -2.233 11.543 1.00 0.00 O ATOM 108 CB VAL A 11 -0.416 -3.366 11.986 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.607 -4.382 10.870 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.035 -3.330 12.442 1.00 0.00 C ATOM 0 HA VAL A 11 -0.155 -1.578 10.806 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.032 -3.671 12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.279 -5.364 11.212 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.661 -4.426 10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.018 -4.085 10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.341 -4.326 12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.668 -3.004 11.617 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.138 -2.634 13.275 1.00 0.00 H new ATOM 120 N THR A 12 -2.258 -2.015 9.539 1.00 0.00 N ATOM 121 CA THR A 12 -3.502 -2.111 8.785 1.00 0.00 C ATOM 122 C THR A 12 -3.857 -3.565 8.493 1.00 0.00 C ATOM 123 O THR A 12 -4.961 -4.018 8.795 1.00 0.00 O ATOM 124 CB THR A 12 -3.414 -1.339 7.455 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.675 -0.126 7.641 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.802 -1.017 6.923 1.00 0.00 C ATOM 0 H THR A 12 -1.424 -1.893 8.964 1.00 0.00 H new ATOM 0 HA THR A 12 -4.282 -1.666 9.404 1.00 0.00 H new ATOM 0 HB THR A 12 -2.901 -1.969 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.622 0.358 6.791 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.714 -0.472 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.351 -1.943 6.755 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.337 -0.405 7.649 1.00 0.00 H new ATOM 134 N LYS A 13 -2.913 -4.292 7.905 1.00 0.00 N ATOM 135 CA LYS A 13 -3.125 -5.696 7.573 1.00 0.00 C ATOM 136 C LYS A 13 -1.803 -6.457 7.557 1.00 0.00 C ATOM 137 O LYS A 13 -0.760 -5.900 7.216 1.00 0.00 O ATOM 138 CB LYS A 13 -3.814 -5.822 6.213 1.00 0.00 C ATOM 139 CG LYS A 13 -4.238 -7.241 5.874 1.00 0.00 C ATOM 140 CD LYS A 13 -5.064 -7.287 4.600 1.00 0.00 C ATOM 141 CE LYS A 13 -5.739 -8.639 4.422 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.664 -8.949 5.548 1.00 0.00 N ATOM 0 H LYS A 13 -1.994 -3.932 7.649 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.766 -6.131 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.692 -5.176 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.139 -5.459 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.354 -7.868 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.817 -7.656 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.820 -6.502 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.423 -7.083 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.293 -8.648 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.980 -9.418 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.363 -9.654 5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.120 -9.329 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.155 -8.081 5.843 1.00 0.00 H new ATOM 156 N ALA A 14 -1.854 -7.732 7.927 1.00 0.00 N ATOM 157 CA ALA A 14 -0.661 -8.569 7.951 1.00 0.00 C ATOM 158 C ALA A 14 -1.012 -10.032 7.702 1.00 0.00 C ATOM 159 O ALA A 14 -1.942 -10.569 8.303 1.00 0.00 O ATOM 160 CB ALA A 14 0.063 -8.418 9.281 1.00 0.00 C ATOM 0 H ALA A 14 -2.709 -8.208 8.214 1.00 0.00 H new ATOM 0 HA ALA A 14 0.000 -8.239 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.952 -9.049 9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.356 -7.377 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.600 -8.720 10.092 1.00 0.00 H new ATOM 166 N GLY A 15 -0.262 -10.672 6.810 1.00 0.00 N ATOM 167 CA GLY A 15 -0.510 -12.067 6.496 1.00 0.00 C ATOM 168 C GLY A 15 0.563 -12.661 5.605 1.00 0.00 C ATOM 169 O GLY A 15 1.434 -11.946 5.111 1.00 0.00 O ATOM 0 H GLY A 15 0.513 -10.249 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.567 -12.640 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.478 -12.159 6.004 1.00 0.00 H new ATOM 173 N TRP A 16 0.501 -13.972 5.401 1.00 0.00 N ATOM 174 CA TRP A 16 1.477 -14.662 4.564 1.00 0.00 C ATOM 175 C TRP A 16 1.125 -14.520 3.088 1.00 0.00 C ATOM 176 O TRP A 16 0.133 -15.081 2.619 1.00 0.00 O ATOM 177 CB TRP A 16 1.550 -16.141 4.945 1.00 0.00 C ATOM 178 CG TRP A 16 2.179 -16.380 6.284 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.533 -16.546 7.475 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.579 -16.479 6.567 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.447 -16.741 8.482 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.709 -16.705 7.951 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.735 -16.400 5.786 1.00 0.00 C ATOM 184 CZ2 TRP A 16 4.949 -16.851 8.568 1.00 0.00 C ATOM 185 CZ3 TRP A 16 5.965 -16.545 6.400 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.064 -16.769 7.779 1.00 0.00 C ATOM 0 H TRP A 16 -0.214 -14.578 5.803 1.00 0.00 H new ATOM 0 HA TRP A 16 2.452 -14.203 4.731 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.543 -16.559 4.945 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.118 -16.677 4.184 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.461 -16.527 7.606 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.222 -16.889 9.466 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.669 -16.229 4.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.028 -17.023 9.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.865 -16.485 5.806 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.040 -16.879 8.229 1.00 0.00 H new ATOM 197 N LEU A 17 1.942 -13.769 2.358 1.00 0.00 N ATOM 198 CA LEU A 17 1.716 -13.554 0.933 1.00 0.00 C ATOM 199 C LEU A 17 2.912 -14.029 0.115 1.00 0.00 C ATOM 200 O LEU A 17 4.062 -13.858 0.520 1.00 0.00 O ATOM 201 CB LEU A 17 1.450 -12.073 0.656 1.00 0.00 C ATOM 202 CG LEU A 17 0.019 -11.592 0.896 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.058 -10.076 0.798 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.935 -12.242 -0.095 1.00 0.00 C ATOM 0 H LEU A 17 2.767 -13.299 2.729 1.00 0.00 H new ATOM 0 HA LEU A 17 0.843 -14.135 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.120 -11.481 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.713 -11.865 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.279 -11.886 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.084 -9.752 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.595 -9.629 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.259 -9.759 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.949 -11.888 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.639 -11.979 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.901 -13.325 0.024 1.00 0.00 H new ATOM 216 N PHE A 18 2.633 -14.626 -1.039 1.00 0.00 N ATOM 217 CA PHE A 18 3.686 -15.125 -1.916 1.00 0.00 C ATOM 218 C PHE A 18 4.146 -14.041 -2.886 1.00 0.00 C ATOM 219 O PHE A 18 3.375 -13.575 -3.725 1.00 0.00 O ATOM 220 CB PHE A 18 3.194 -16.347 -2.695 1.00 0.00 C ATOM 221 CG PHE A 18 3.208 -17.615 -1.890 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.341 -17.783 -0.823 1.00 0.00 C ATOM 223 CD2 PHE A 18 4.086 -18.640 -2.202 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.351 -18.949 -0.081 1.00 0.00 C ATOM 225 CE2 PHE A 18 4.101 -19.809 -1.464 1.00 0.00 C ATOM 226 CZ PHE A 18 3.232 -19.964 -0.403 1.00 0.00 C ATOM 0 H PHE A 18 1.687 -14.776 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 18 4.534 -15.415 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.179 -16.160 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.818 -16.480 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.649 -16.994 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.767 -18.525 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.671 -19.067 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.792 -20.600 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.240 -20.877 0.174 1.00 0.00 H new ATOM 236 N LYS A 19 5.408 -13.643 -2.765 1.00 0.00 N ATOM 237 CA LYS A 19 5.973 -12.614 -3.630 1.00 0.00 C ATOM 238 C LYS A 19 6.641 -13.238 -4.852 1.00 0.00 C ATOM 239 O LYS A 19 7.537 -14.071 -4.722 1.00 0.00 O ATOM 240 CB LYS A 19 6.987 -11.769 -2.857 1.00 0.00 C ATOM 241 CG LYS A 19 7.176 -10.374 -3.426 1.00 0.00 C ATOM 242 CD LYS A 19 8.331 -9.649 -2.755 1.00 0.00 C ATOM 243 CE LYS A 19 8.943 -8.604 -3.675 1.00 0.00 C ATOM 244 NZ LYS A 19 9.961 -9.196 -4.587 1.00 0.00 N ATOM 0 H LYS A 19 6.059 -14.018 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 19 5.160 -11.973 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.664 -11.688 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.948 -12.284 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.360 -10.439 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.259 -9.799 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.979 -9.170 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.094 -10.370 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.156 -8.134 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.405 -7.819 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.355 -8.452 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.725 -9.622 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.515 -9.928 -5.176 1.00 0.00 H new ATOM 258 N GLN A 20 6.199 -12.827 -6.036 1.00 0.00 N ATOM 259 CA GLN A 20 6.756 -13.345 -7.280 1.00 0.00 C ATOM 260 C GLN A 20 8.212 -12.921 -7.443 1.00 0.00 C ATOM 261 O GLN A 20 8.583 -11.797 -7.105 1.00 0.00 O ATOM 262 CB GLN A 20 5.933 -12.857 -8.474 1.00 0.00 C ATOM 263 CG GLN A 20 6.130 -13.690 -9.730 1.00 0.00 C ATOM 264 CD GLN A 20 5.454 -13.085 -10.944 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.404 -11.864 -11.097 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.928 -13.937 -11.816 1.00 0.00 N ATOM 0 H GLN A 20 5.458 -12.138 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 20 6.716 -14.434 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.877 -12.865 -8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.199 -11.822 -8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.197 -13.795 -9.928 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.737 -14.692 -9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.992 -14.941 -11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.460 -13.587 -12.652 1.00 0.00 H new ATOM 275 N ALA A 21 9.032 -13.828 -7.964 1.00 0.00 N ATOM 276 CA ALA A 21 10.447 -13.547 -8.174 1.00 0.00 C ATOM 277 C ALA A 21 10.640 -12.454 -9.220 1.00 0.00 C ATOM 278 O ALA A 21 10.008 -12.473 -10.275 1.00 0.00 O ATOM 279 CB ALA A 21 11.180 -14.814 -8.589 1.00 0.00 C ATOM 0 H ALA A 21 8.741 -14.763 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 21 10.866 -13.190 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.236 -14.590 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.079 -15.566 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.751 -15.195 -9.516 1.00 0.00 H new ATOM 352 N GLN A 27 9.313 -18.162 -10.019 1.00 0.00 N ATOM 353 CA GLN A 27 9.113 -18.791 -8.719 1.00 0.00 C ATOM 354 C GLN A 27 8.554 -17.792 -7.711 1.00 0.00 C ATOM 355 O GLN A 27 8.616 -16.581 -7.923 1.00 0.00 O ATOM 356 CB GLN A 27 10.429 -19.373 -8.202 1.00 0.00 C ATOM 357 CG GLN A 27 11.599 -18.407 -8.293 1.00 0.00 C ATOM 358 CD GLN A 27 12.915 -19.044 -7.892 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.078 -20.262 -7.971 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.863 -18.221 -7.458 1.00 0.00 N ATOM 0 HA GLN A 27 8.391 -19.598 -8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.299 -19.676 -7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.667 -20.273 -8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.677 -18.032 -9.314 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.406 -17.547 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.684 -17.218 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.770 -18.592 -7.174 1.00 0.00 H new ATOM 369 N TRP A 28 8.009 -18.307 -6.615 1.00 0.00 N ATOM 370 CA TRP A 28 7.439 -17.459 -5.574 1.00 0.00 C ATOM 371 C TRP A 28 8.071 -17.760 -4.220 1.00 0.00 C ATOM 372 O TRP A 28 8.367 -18.912 -3.905 1.00 0.00 O ATOM 373 CB TRP A 28 5.924 -17.657 -5.499 1.00 0.00 C ATOM 374 CG TRP A 28 5.219 -17.339 -6.783 1.00 0.00 C ATOM 375 CD1 TRP A 28 5.351 -17.995 -7.974 1.00 0.00 C ATOM 376 CD2 TRP A 28 4.275 -16.286 -7.005 1.00 0.00 C ATOM 377 NE1 TRP A 28 4.546 -17.412 -8.923 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.874 -16.363 -8.353 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.727 -15.288 -6.195 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.953 -15.478 -8.907 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.813 -14.410 -6.747 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.433 -14.510 -8.091 1.00 0.00 C ATOM 0 H TRP A 28 7.950 -19.307 -6.424 1.00 0.00 H new ATOM 0 HA TRP A 28 7.650 -16.421 -5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.713 -18.690 -5.223 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.521 -17.027 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.993 -18.846 -8.145 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.462 -17.712 -9.894 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.012 -15.204 -5.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.659 -15.553 -9.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.385 -13.633 -6.131 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.715 -13.809 -8.492 1.00 0.00 H new ATOM 393 N ASN A 29 8.275 -16.717 -3.421 1.00 0.00 N ATOM 394 CA ASN A 29 8.872 -16.872 -2.100 1.00 0.00 C ATOM 395 C ASN A 29 7.902 -16.429 -1.009 1.00 0.00 C ATOM 396 O ASN A 29 7.697 -15.235 -0.791 1.00 0.00 O ATOM 397 CB ASN A 29 10.167 -16.062 -2.005 1.00 0.00 C ATOM 398 CG ASN A 29 11.354 -16.799 -2.595 1.00 0.00 C ATOM 399 OD1 ASN A 29 12.137 -17.416 -1.872 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.493 -16.738 -3.914 1.00 0.00 N ATOM 0 H ASN A 29 8.036 -15.756 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 29 9.099 -17.928 -1.953 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.037 -15.113 -2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.371 -15.828 -0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.273 -17.214 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.820 -16.215 -4.474 1.00 0.00 H new ATOM 407 N LYS A 30 7.306 -17.400 -0.325 1.00 0.00 N ATOM 408 CA LYS A 30 6.358 -17.113 0.745 1.00 0.00 C ATOM 409 C LYS A 30 7.034 -16.349 1.879 1.00 0.00 C ATOM 410 O LYS A 30 8.036 -16.801 2.433 1.00 0.00 O ATOM 411 CB LYS A 30 5.753 -18.413 1.280 1.00 0.00 C ATOM 412 CG LYS A 30 4.737 -18.199 2.389 1.00 0.00 C ATOM 413 CD LYS A 30 4.584 -19.440 3.252 1.00 0.00 C ATOM 414 CE LYS A 30 3.405 -19.314 4.205 1.00 0.00 C ATOM 415 NZ LYS A 30 2.816 -20.641 4.536 1.00 0.00 N ATOM 0 H LYS A 30 7.463 -18.394 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 30 5.562 -16.491 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.275 -18.947 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.555 -19.051 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.047 -17.359 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.773 -17.936 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.446 -20.313 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.498 -19.603 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.730 -18.822 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.641 -18.679 3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.016 -20.513 5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.483 -21.100 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.538 -21.238 4.988 1.00 0.00 H new ATOM 429 N ARG A 31 6.477 -15.192 2.221 1.00 0.00 N ATOM 430 CA ARG A 31 7.026 -14.366 3.289 1.00 0.00 C ATOM 431 C ARG A 31 5.910 -13.712 4.099 1.00 0.00 C ATOM 432 O ARG A 31 4.729 -13.899 3.809 1.00 0.00 O ATOM 433 CB ARG A 31 7.948 -13.291 2.710 1.00 0.00 C ATOM 434 CG ARG A 31 9.396 -13.733 2.586 1.00 0.00 C ATOM 435 CD ARG A 31 10.043 -13.915 3.950 1.00 0.00 C ATOM 436 NE ARG A 31 11.080 -14.942 3.932 1.00 0.00 N ATOM 437 CZ ARG A 31 12.278 -14.768 3.384 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.588 -13.612 2.813 1.00 0.00 N ATOM 439 NH2 ARG A 31 13.169 -15.751 3.408 1.00 0.00 N ATOM 0 H ARG A 31 5.646 -14.805 1.774 1.00 0.00 H new ATOM 0 HA ARG A 31 7.603 -15.011 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.580 -13.001 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.900 -12.405 3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.445 -14.670 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.955 -12.994 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.476 -12.969 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.280 -14.184 4.680 1.00 0.00 H new ATOM 0 HE ARG A 31 10.874 -15.843 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.906 -12.854 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.508 -13.481 2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.935 -16.641 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.088 -15.616 2.987 1.00 0.00 H new ATOM 453 N TRP A 32 6.294 -12.947 5.114 1.00 0.00 N ATOM 454 CA TRP A 32 5.325 -12.266 5.966 1.00 0.00 C ATOM 455 C TRP A 32 5.172 -10.805 5.556 1.00 0.00 C ATOM 456 O TRP A 32 6.105 -10.013 5.686 1.00 0.00 O ATOM 457 CB TRP A 32 5.754 -12.355 7.432 1.00 0.00 C ATOM 458 CG TRP A 32 4.770 -11.733 8.377 1.00 0.00 C ATOM 459 CD1 TRP A 32 4.956 -10.610 9.132 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.449 -12.201 8.669 1.00 0.00 C ATOM 461 NE1 TRP A 32 3.830 -10.351 9.875 1.00 0.00 N ATOM 462 CE2 TRP A 32 2.890 -11.312 9.608 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.682 -13.282 8.226 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.603 -11.474 10.112 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.404 -13.442 8.727 1.00 0.00 C ATOM 466 CH2 TRP A 32 0.875 -12.542 9.662 1.00 0.00 C ATOM 0 H TRP A 32 7.268 -12.782 5.367 1.00 0.00 H new ATOM 0 HA TRP A 32 4.361 -12.760 5.846 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.892 -13.402 7.700 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.721 -11.865 7.551 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.856 -10.013 9.143 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.713 -9.570 10.521 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.081 -13.980 7.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.193 -10.782 10.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.803 -14.275 8.392 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.127 -12.694 10.035 1.00 0.00 H new ATOM 477 N PHE A 33 3.989 -10.455 5.062 1.00 0.00 N ATOM 478 CA PHE A 33 3.714 -9.089 4.632 1.00 0.00 C ATOM 479 C PHE A 33 2.926 -8.332 5.697 1.00 0.00 C ATOM 480 O PHE A 33 2.020 -8.883 6.324 1.00 0.00 O ATOM 481 CB PHE A 33 2.937 -9.094 3.313 1.00 0.00 C ATOM 482 CG PHE A 33 3.812 -9.251 2.103 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.214 -10.508 1.681 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.233 -8.142 1.387 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.019 -10.657 0.567 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.038 -8.285 0.272 1.00 0.00 C ATOM 487 CZ PHE A 33 5.432 -9.544 -0.137 1.00 0.00 C ATOM 0 H PHE A 33 3.206 -11.098 4.950 1.00 0.00 H new ATOM 0 HA PHE A 33 4.667 -8.582 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.209 -9.905 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.376 -8.163 3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.895 -11.382 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.929 -7.155 1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.324 -11.643 0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.358 -7.413 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.062 -9.657 -1.007 1.00 0.00 H new ATOM 497 N VAL A 34 3.278 -7.066 5.897 1.00 0.00 N ATOM 498 CA VAL A 34 2.604 -6.232 6.885 1.00 0.00 C ATOM 499 C VAL A 34 2.249 -4.869 6.303 1.00 0.00 C ATOM 500 O VAL A 34 3.079 -3.959 6.274 1.00 0.00 O ATOM 501 CB VAL A 34 3.477 -6.032 8.139 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.742 -5.192 9.172 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.884 -7.376 8.724 1.00 0.00 C ATOM 0 H VAL A 34 4.026 -6.595 5.388 1.00 0.00 H new ATOM 0 HA VAL A 34 1.689 -6.752 7.168 1.00 0.00 H new ATOM 0 HB VAL A 34 4.382 -5.499 7.850 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.374 -5.061 10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.506 -4.217 8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.819 -5.695 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.500 -7.216 9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.992 -7.938 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.452 -7.938 7.983 1.00 0.00 H new ATOM 513 N LEU A 35 1.011 -4.733 5.841 1.00 0.00 N ATOM 514 CA LEU A 35 0.544 -3.479 5.259 1.00 0.00 C ATOM 515 C LEU A 35 0.637 -2.342 6.272 1.00 0.00 C ATOM 516 O LEU A 35 -0.043 -2.354 7.298 1.00 0.00 O ATOM 517 CB LEU A 35 -0.898 -3.627 4.771 1.00 0.00 C ATOM 518 CG LEU A 35 -1.615 -2.329 4.397 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.978 -1.702 3.166 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.096 -2.588 4.160 1.00 0.00 C ATOM 0 H LEU A 35 0.312 -5.476 5.858 1.00 0.00 H new ATOM 0 HA LEU A 35 1.185 -3.238 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.901 -4.284 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.475 -4.126 5.550 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.516 -1.630 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.502 -0.780 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.069 -1.480 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.045 -2.396 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.591 -1.654 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.215 -3.305 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.545 -2.991 5.068 1.00 0.00 H new ATOM 532 N VAL A 36 1.481 -1.359 5.974 1.00 0.00 N ATOM 533 CA VAL A 36 1.660 -0.212 6.856 1.00 0.00 C ATOM 534 C VAL A 36 0.998 1.034 6.278 1.00 0.00 C ATOM 535 O VAL A 36 0.403 0.991 5.202 1.00 0.00 O ATOM 536 CB VAL A 36 3.152 0.079 7.103 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.718 0.945 5.988 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.348 0.744 8.457 1.00 0.00 C ATOM 0 H VAL A 36 2.051 -1.334 5.129 1.00 0.00 H new ATOM 0 HA VAL A 36 1.186 -0.465 7.804 1.00 0.00 H new ATOM 0 HB VAL A 36 3.693 -0.867 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.773 1.141 6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.612 0.427 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.175 1.889 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.408 0.942 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.795 1.683 8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.981 0.084 9.243 1.00 0.00 H new ATOM 548 N ASP A 37 1.107 2.144 7.001 1.00 0.00 N ATOM 549 CA ASP A 37 0.521 3.404 6.560 1.00 0.00 C ATOM 550 C ASP A 37 1.052 3.799 5.185 1.00 0.00 C ATOM 551 O ASP A 37 2.248 4.036 5.016 1.00 0.00 O ATOM 552 CB ASP A 37 0.817 4.511 7.572 1.00 0.00 C ATOM 553 CG ASP A 37 -0.254 4.621 8.640 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.357 5.112 8.324 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.013 4.217 9.791 1.00 0.00 O ATOM 0 H ASP A 37 1.596 2.196 7.895 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.558 3.268 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.780 4.318 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.904 5.463 7.049 1.00 0.00 H new ATOM 560 N ARG A 38 0.156 3.866 4.207 1.00 0.00 N ATOM 561 CA ARG A 38 0.535 4.229 2.847 1.00 0.00 C ATOM 562 C ARG A 38 1.833 3.536 2.440 1.00 0.00 C ATOM 563 O ARG A 38 2.665 4.116 1.742 1.00 0.00 O ATOM 564 CB ARG A 38 0.695 5.746 2.727 1.00 0.00 C ATOM 565 CG ARG A 38 -0.591 6.467 2.362 1.00 0.00 C ATOM 566 CD ARG A 38 -0.312 7.761 1.613 1.00 0.00 C ATOM 567 NE ARG A 38 -0.169 8.898 2.520 1.00 0.00 N ATOM 568 CZ ARG A 38 -0.170 10.163 2.117 1.00 0.00 C ATOM 569 NH1 ARG A 38 -0.307 10.453 0.830 1.00 0.00 N ATOM 570 NH2 ARG A 38 -0.035 11.143 3.002 1.00 0.00 N ATOM 0 H ARG A 38 -0.838 3.674 4.331 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.258 3.900 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.066 6.140 3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.451 5.965 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.212 5.816 1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.157 6.685 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.599 7.650 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.123 7.956 0.912 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.063 8.709 3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.412 9.703 0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.307 11.426 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.070 10.925 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.036 12.115 2.691 1.00 0.00 H new ATOM 584 N CYS A 39 1.998 2.295 2.883 1.00 0.00 N ATOM 585 CA CYS A 39 3.195 1.523 2.567 1.00 0.00 C ATOM 586 C CYS A 39 3.014 0.058 2.949 1.00 0.00 C ATOM 587 O CYS A 39 2.010 -0.317 3.558 1.00 0.00 O ATOM 588 CB CYS A 39 4.409 2.106 3.292 1.00 0.00 C ATOM 589 SG CYS A 39 5.293 3.372 2.352 1.00 0.00 S ATOM 0 H CYS A 39 1.319 1.802 3.462 1.00 0.00 H new ATOM 0 HA CYS A 39 3.361 1.581 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.082 2.535 4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.100 1.297 3.530 1.00 0.00 H new ATOM 0 HG CYS A 39 4.440 4.091 1.684 1.00 0.00 H new ATOM 595 N LEU A 40 3.989 -0.767 2.587 1.00 0.00 N ATOM 596 CA LEU A 40 3.938 -2.193 2.890 1.00 0.00 C ATOM 597 C LEU A 40 5.341 -2.765 3.060 1.00 0.00 C ATOM 598 O LEU A 40 6.217 -2.548 2.223 1.00 0.00 O ATOM 599 CB LEU A 40 3.199 -2.944 1.781 1.00 0.00 C ATOM 600 CG LEU A 40 3.347 -4.466 1.788 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.751 -5.054 3.057 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.687 -5.071 0.557 1.00 0.00 C ATOM 0 H LEU A 40 4.826 -0.473 2.083 1.00 0.00 H new ATOM 0 HA LEU A 40 3.398 -2.320 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.139 -2.702 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.550 -2.569 0.820 1.00 0.00 H new ATOM 0 HG LEU A 40 4.409 -4.709 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.865 -6.138 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.268 -4.645 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.692 -4.802 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.802 -6.155 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.627 -4.818 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.159 -4.674 -0.341 1.00 0.00 H new ATOM 614 N PHE A 41 5.548 -3.499 4.148 1.00 0.00 N ATOM 615 CA PHE A 41 6.845 -4.104 4.428 1.00 0.00 C ATOM 616 C PHE A 41 6.708 -5.608 4.649 1.00 0.00 C ATOM 617 O PHE A 41 5.686 -6.083 5.145 1.00 0.00 O ATOM 618 CB PHE A 41 7.481 -3.453 5.657 1.00 0.00 C ATOM 619 CG PHE A 41 7.829 -2.005 5.456 1.00 0.00 C ATOM 620 CD1 PHE A 41 9.022 -1.644 4.851 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.963 -1.007 5.871 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.345 -0.313 4.665 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.280 0.326 5.688 1.00 0.00 C ATOM 624 CZ PHE A 41 8.472 0.673 5.083 1.00 0.00 C ATOM 0 H PHE A 41 4.834 -3.689 4.851 1.00 0.00 H new ATOM 0 HA PHE A 41 7.488 -3.939 3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.796 -3.540 6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.384 -4.002 5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.707 -2.411 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.029 -1.273 6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.279 -0.044 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.597 1.095 6.018 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.721 1.714 4.937 1.00 0.00 H new ATOM 634 N TYR A 42 7.743 -6.351 4.277 1.00 0.00 N ATOM 635 CA TYR A 42 7.738 -7.801 4.431 1.00 0.00 C ATOM 636 C TYR A 42 8.902 -8.260 5.305 1.00 0.00 C ATOM 637 O TYR A 42 9.822 -7.493 5.586 1.00 0.00 O ATOM 638 CB TYR A 42 7.814 -8.481 3.063 1.00 0.00 C ATOM 639 CG TYR A 42 9.091 -8.185 2.310 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.192 -7.071 1.486 1.00 0.00 C ATOM 641 CD2 TYR A 42 10.196 -9.020 2.421 1.00 0.00 C ATOM 642 CE1 TYR A 42 10.356 -6.797 0.795 1.00 0.00 C ATOM 643 CE2 TYR A 42 11.365 -8.753 1.735 1.00 0.00 C ATOM 644 CZ TYR A 42 11.440 -7.640 0.923 1.00 0.00 C ATOM 645 OH TYR A 42 12.602 -7.371 0.237 1.00 0.00 O ATOM 0 H TYR A 42 8.597 -5.974 3.866 1.00 0.00 H new ATOM 0 HA TYR A 42 6.806 -8.086 4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.723 -9.559 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.964 -8.161 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.346 -6.408 1.384 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.140 -9.893 3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.417 -5.927 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 42 12.215 -9.412 1.834 1.00 0.00 H new ATOM 0 HH TYR A 42 13.268 -8.061 0.438 1.00 0.00 H new ATOM 655 N TYR A 43 8.853 -9.518 5.730 1.00 0.00 N ATOM 656 CA TYR A 43 9.901 -10.080 6.573 1.00 0.00 C ATOM 657 C TYR A 43 9.947 -11.600 6.445 1.00 0.00 C ATOM 658 O TYR A 43 9.105 -12.205 5.780 1.00 0.00 O ATOM 659 CB TYR A 43 9.675 -9.687 8.034 1.00 0.00 C ATOM 660 CG TYR A 43 9.106 -8.297 8.206 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.825 -7.990 7.766 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.850 -7.291 8.811 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.301 -6.721 7.921 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.334 -6.019 8.971 1.00 0.00 C ATOM 665 CZ TYR A 43 8.059 -5.739 8.524 1.00 0.00 C ATOM 666 OH TYR A 43 7.541 -4.474 8.681 1.00 0.00 O ATOM 0 H TYR A 43 8.099 -10.167 5.505 1.00 0.00 H new ATOM 0 HA TYR A 43 10.857 -9.676 6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.999 -10.407 8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.622 -9.752 8.570 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.228 -8.757 7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.848 -7.507 9.162 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.303 -6.499 7.572 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.925 -5.248 9.443 1.00 0.00 H new ATOM 0 HH TYR A 43 8.202 -3.903 9.125 1.00 0.00 H new ATOM 676 N LYS A 44 10.936 -12.212 7.087 1.00 0.00 N ATOM 677 CA LYS A 44 11.093 -13.661 7.048 1.00 0.00 C ATOM 678 C LYS A 44 9.838 -14.358 7.564 1.00 0.00 C ATOM 679 O LYS A 44 9.320 -15.275 6.927 1.00 0.00 O ATOM 680 CB LYS A 44 12.305 -14.086 7.881 1.00 0.00 C ATOM 681 CG LYS A 44 13.608 -14.088 7.101 1.00 0.00 C ATOM 682 CD LYS A 44 14.803 -13.861 8.012 1.00 0.00 C ATOM 683 CE LYS A 44 16.076 -13.627 7.213 1.00 0.00 C ATOM 684 NZ LYS A 44 17.238 -13.327 8.096 1.00 0.00 N ATOM 0 H LYS A 44 11.642 -11.727 7.641 1.00 0.00 H new ATOM 0 HA LYS A 44 11.251 -13.957 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.403 -13.414 8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.129 -15.085 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.721 -15.040 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.578 -13.310 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.613 -13.002 8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.935 -14.725 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.295 -14.510 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.923 -12.799 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.086 -13.174 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.040 -12.470 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.400 -14.127 8.740 1.00 0.00 H new ATOM 698 N ASP A 45 9.355 -13.917 8.720 1.00 0.00 N ATOM 699 CA ASP A 45 8.159 -14.497 9.320 1.00 0.00 C ATOM 700 C ASP A 45 7.410 -13.460 10.151 1.00 0.00 C ATOM 701 O ASP A 45 7.780 -12.286 10.175 1.00 0.00 O ATOM 702 CB ASP A 45 8.531 -15.696 10.193 1.00 0.00 C ATOM 703 CG ASP A 45 9.792 -15.455 11.000 1.00 0.00 C ATOM 704 OD1 ASP A 45 10.151 -14.277 11.203 1.00 0.00 O ATOM 705 OD2 ASP A 45 10.421 -16.446 11.429 1.00 0.00 O ATOM 0 H ASP A 45 9.773 -13.160 9.260 1.00 0.00 H new ATOM 0 HA ASP A 45 7.505 -14.832 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.706 -15.918 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.670 -16.573 9.561 1.00 0.00 H new ATOM 710 N GLU A 46 6.355 -13.901 10.829 1.00 0.00 N ATOM 711 CA GLU A 46 5.554 -13.010 11.659 1.00 0.00 C ATOM 712 C GLU A 46 6.429 -12.272 12.667 1.00 0.00 C ATOM 713 O GLU A 46 6.285 -11.065 12.866 1.00 0.00 O ATOM 714 CB GLU A 46 4.467 -13.799 12.392 1.00 0.00 C ATOM 715 CG GLU A 46 4.982 -15.058 13.070 1.00 0.00 C ATOM 716 CD GLU A 46 3.892 -15.809 13.809 1.00 0.00 C ATOM 717 OE1 GLU A 46 3.577 -15.422 14.954 1.00 0.00 O ATOM 718 OE2 GLU A 46 3.354 -16.784 13.244 1.00 0.00 O ATOM 0 H GLU A 46 6.036 -14.870 10.820 1.00 0.00 H new ATOM 0 HA GLU A 46 5.082 -12.275 11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.005 -13.156 13.141 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.686 -14.072 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.426 -15.714 12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.774 -14.791 13.770 1.00 0.00 H new ATOM 725 N LYS A 47 7.337 -13.005 13.302 1.00 0.00 N ATOM 726 CA LYS A 47 8.238 -12.422 14.289 1.00 0.00 C ATOM 727 C LYS A 47 8.617 -10.996 13.905 1.00 0.00 C ATOM 728 O LYS A 47 8.725 -10.120 14.763 1.00 0.00 O ATOM 729 CB LYS A 47 9.499 -13.278 14.427 1.00 0.00 C ATOM 730 CG LYS A 47 9.228 -14.685 14.930 1.00 0.00 C ATOM 731 CD LYS A 47 9.230 -14.746 16.448 1.00 0.00 C ATOM 732 CE LYS A 47 10.643 -14.685 17.006 1.00 0.00 C ATOM 733 NZ LYS A 47 10.671 -14.933 18.474 1.00 0.00 N ATOM 0 H LYS A 47 7.469 -14.005 13.151 1.00 0.00 H new ATOM 0 HA LYS A 47 7.719 -12.395 15.247 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.996 -13.337 13.458 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.190 -12.784 15.110 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.264 -15.028 14.553 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.984 -15.365 14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.644 -13.918 16.847 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.747 -15.666 16.777 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.265 -15.424 16.501 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.075 -13.707 16.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.652 -14.883 18.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.098 -14.213 18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.282 -15.877 18.674 1.00 0.00 H new ATOM 747 N GLU A 48 8.818 -10.770 12.610 1.00 0.00 N ATOM 748 CA GLU A 48 9.185 -9.449 12.113 1.00 0.00 C ATOM 749 C GLU A 48 10.491 -8.975 12.743 1.00 0.00 C ATOM 750 O GLU A 48 10.578 -7.855 13.247 1.00 0.00 O ATOM 751 CB GLU A 48 8.070 -8.442 12.405 1.00 0.00 C ATOM 752 CG GLU A 48 8.106 -7.217 11.507 1.00 0.00 C ATOM 753 CD GLU A 48 7.166 -6.123 11.974 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.955 -6.399 12.105 1.00 0.00 O ATOM 755 OE2 GLU A 48 7.641 -4.992 12.209 1.00 0.00 O ATOM 0 H GLU A 48 8.733 -11.484 11.887 1.00 0.00 H new ATOM 0 HA GLU A 48 9.327 -9.521 11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.106 -8.937 12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.144 -8.122 13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.123 -6.826 11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.842 -7.508 10.491 1.00 0.00 H new ATOM 762 N GLU A 49 11.503 -9.835 12.712 1.00 0.00 N ATOM 763 CA GLU A 49 12.805 -9.505 13.281 1.00 0.00 C ATOM 764 C GLU A 49 13.332 -8.193 12.706 1.00 0.00 C ATOM 765 O GLU A 49 13.566 -7.231 13.439 1.00 0.00 O ATOM 766 CB GLU A 49 13.805 -10.631 13.012 1.00 0.00 C ATOM 767 CG GLU A 49 13.811 -11.708 14.083 1.00 0.00 C ATOM 768 CD GLU A 49 15.023 -12.615 13.992 1.00 0.00 C ATOM 769 OE1 GLU A 49 16.130 -12.163 14.351 1.00 0.00 O ATOM 770 OE2 GLU A 49 14.863 -13.777 13.562 1.00 0.00 O ATOM 0 H GLU A 49 11.447 -10.766 12.299 1.00 0.00 H new ATOM 0 HA GLU A 49 12.683 -9.388 14.358 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.574 -11.088 12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.805 -10.206 12.931 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.787 -11.238 15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.905 -12.308 13.995 1.00 0.00 H new ATOM 777 N SER A 50 13.518 -8.162 11.391 1.00 0.00 N ATOM 778 CA SER A 50 14.022 -6.971 10.717 1.00 0.00 C ATOM 779 C SER A 50 13.449 -6.860 9.308 1.00 0.00 C ATOM 780 O SER A 50 13.165 -7.869 8.661 1.00 0.00 O ATOM 781 CB SER A 50 15.551 -7.001 10.658 1.00 0.00 C ATOM 782 OG SER A 50 16.006 -7.998 9.759 1.00 0.00 O ATOM 0 H SER A 50 13.327 -8.949 10.770 1.00 0.00 H new ATOM 0 HA SER A 50 13.705 -6.099 11.289 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.925 -6.026 10.345 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.953 -7.193 11.653 1.00 0.00 H new ATOM 0 HG SER A 50 16.986 -7.996 9.737 1.00 0.00 H new ATOM 788 N ILE A 51 13.283 -5.628 8.839 1.00 0.00 N ATOM 789 CA ILE A 51 12.745 -5.385 7.506 1.00 0.00 C ATOM 790 C ILE A 51 13.741 -5.798 6.428 1.00 0.00 C ATOM 791 O ILE A 51 14.941 -5.547 6.546 1.00 0.00 O ATOM 792 CB ILE A 51 12.378 -3.902 7.309 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.258 -3.500 8.270 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.965 -3.646 5.867 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.113 -2.003 8.436 1.00 0.00 C ATOM 0 H ILE A 51 13.513 -4.783 9.362 1.00 0.00 H new ATOM 0 HA ILE A 51 11.843 -5.989 7.415 1.00 0.00 H new ATOM 0 HB ILE A 51 13.255 -3.293 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.315 -3.910 7.908 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.448 -3.949 9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.709 -2.594 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.791 -3.899 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.100 -4.262 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.300 -1.791 9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.042 -1.589 8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.892 -1.550 7.470 1.00 0.00 H new ATOM 807 N LEU A 52 13.235 -6.432 5.375 1.00 0.00 N ATOM 808 CA LEU A 52 14.080 -6.879 4.273 1.00 0.00 C ATOM 809 C LEU A 52 13.885 -5.996 3.045 1.00 0.00 C ATOM 810 O LEU A 52 14.816 -5.777 2.271 1.00 0.00 O ATOM 811 CB LEU A 52 13.767 -8.335 3.923 1.00 0.00 C ATOM 812 CG LEU A 52 13.965 -9.353 5.047 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.347 -10.691 4.671 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.444 -9.517 5.365 1.00 0.00 C ATOM 0 H LEU A 52 12.245 -6.648 5.261 1.00 0.00 H new ATOM 0 HA LEU A 52 15.120 -6.803 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.732 -8.392 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.393 -8.628 3.080 1.00 0.00 H new ATOM 0 HG LEU A 52 13.461 -8.982 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.498 -11.402 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.279 -10.562 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.821 -11.069 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.565 -10.245 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.971 -9.865 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.857 -8.559 5.680 1.00 0.00 H new ATOM 826 N GLY A 53 12.668 -5.490 2.873 1.00 0.00 N ATOM 827 CA GLY A 53 12.373 -4.635 1.738 1.00 0.00 C ATOM 828 C GLY A 53 11.167 -3.748 1.978 1.00 0.00 C ATOM 829 O GLY A 53 10.283 -4.091 2.763 1.00 0.00 O ATOM 0 H GLY A 53 11.881 -5.657 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.241 -4.012 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.196 -5.253 0.858 1.00 0.00 H new ATOM 833 N SER A 54 11.131 -2.605 1.301 1.00 0.00 N ATOM 834 CA SER A 54 10.027 -1.664 1.449 1.00 0.00 C ATOM 835 C SER A 54 9.209 -1.581 0.164 1.00 0.00 C ATOM 836 O SER A 54 9.763 -1.504 -0.933 1.00 0.00 O ATOM 837 CB SER A 54 10.557 -0.277 1.820 1.00 0.00 C ATOM 838 OG SER A 54 11.006 0.421 0.672 1.00 0.00 O ATOM 0 H SER A 54 11.853 -2.308 0.645 1.00 0.00 H new ATOM 0 HA SER A 54 9.380 -2.024 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.772 0.296 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.376 -0.376 2.533 1.00 0.00 H new ATOM 0 HG SER A 54 11.338 1.305 0.935 1.00 0.00 H new ATOM 844 N ILE A 55 7.888 -1.596 0.309 1.00 0.00 N ATOM 845 CA ILE A 55 6.993 -1.521 -0.839 1.00 0.00 C ATOM 846 C ILE A 55 6.021 -0.354 -0.703 1.00 0.00 C ATOM 847 O ILE A 55 5.062 -0.400 0.067 1.00 0.00 O ATOM 848 CB ILE A 55 6.192 -2.825 -1.014 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.140 -4.019 -1.140 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.286 -2.730 -2.232 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.459 -5.355 -0.946 1.00 0.00 C ATOM 0 H ILE A 55 7.414 -1.659 1.210 1.00 0.00 H new ATOM 0 HA ILE A 55 7.619 -1.368 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 55 5.569 -2.972 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.608 -3.999 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.939 -3.917 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.726 -3.659 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.591 -1.900 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.891 -2.562 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.192 -6.155 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.015 -5.396 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.679 -5.478 -1.697 1.00 0.00 H new ATOM 863 N PRO A 56 6.271 0.717 -1.470 1.00 0.00 N ATOM 864 CA PRO A 56 5.428 1.916 -1.455 1.00 0.00 C ATOM 865 C PRO A 56 4.058 1.669 -2.077 1.00 0.00 C ATOM 866 O PRO A 56 3.941 0.982 -3.093 1.00 0.00 O ATOM 867 CB PRO A 56 6.223 2.919 -2.295 1.00 0.00 C ATOM 868 CG PRO A 56 7.062 2.080 -3.195 1.00 0.00 C ATOM 869 CD PRO A 56 7.397 0.840 -2.412 1.00 0.00 C ATOM 0 HA PRO A 56 5.222 2.257 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.561 3.570 -2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.839 3.562 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.524 1.831 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.967 2.610 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.478 -0.034 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.349 0.939 -1.890 1.00 0.00 H new ATOM 877 N LEU A 57 3.024 2.232 -1.462 1.00 0.00 N ATOM 878 CA LEU A 57 1.660 2.073 -1.956 1.00 0.00 C ATOM 879 C LEU A 57 0.978 3.427 -2.116 1.00 0.00 C ATOM 880 O LEU A 57 -0.172 3.606 -1.712 1.00 0.00 O ATOM 881 CB LEU A 57 0.852 1.190 -1.004 1.00 0.00 C ATOM 882 CG LEU A 57 1.031 -0.319 -1.172 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.209 -1.073 -0.138 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.645 -0.749 -2.580 1.00 0.00 C ATOM 0 H LEU A 57 3.104 2.803 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 57 1.707 1.594 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.118 1.455 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.205 1.426 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 57 2.082 -0.560 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.349 -2.145 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.533 -0.788 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.846 -0.827 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.779 -1.826 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.398 -0.494 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.278 -0.235 -3.304 1.00 0.00 H new ATOM 896 N LEU A 58 1.692 4.378 -2.709 1.00 0.00 N ATOM 897 CA LEU A 58 1.154 5.716 -2.924 1.00 0.00 C ATOM 898 C LEU A 58 -0.012 5.683 -3.907 1.00 0.00 C ATOM 899 O LEU A 58 -1.147 6.001 -3.551 1.00 0.00 O ATOM 900 CB LEU A 58 2.248 6.649 -3.445 1.00 0.00 C ATOM 901 CG LEU A 58 1.773 7.973 -4.045 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.720 8.615 -3.155 1.00 0.00 C ATOM 903 CD2 LEU A 58 2.948 8.918 -4.251 1.00 0.00 C ATOM 0 H LEU A 58 2.645 4.247 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 58 0.789 6.092 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.931 6.869 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.822 6.115 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 58 1.323 7.769 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.394 9.556 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.134 7.944 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.144 8.806 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.591 9.855 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.428 9.116 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.668 8.461 -4.930 1.00 0.00 H new ATOM 915 N SER A 59 0.275 5.294 -5.145 1.00 0.00 N ATOM 916 CA SER A 59 -0.749 5.220 -6.180 1.00 0.00 C ATOM 917 C SER A 59 -0.713 3.868 -6.885 1.00 0.00 C ATOM 918 O SER A 59 -1.120 3.746 -8.041 1.00 0.00 O ATOM 919 CB SER A 59 -0.556 6.345 -7.200 1.00 0.00 C ATOM 920 OG SER A 59 -1.644 6.405 -8.105 1.00 0.00 O ATOM 0 H SER A 59 1.209 5.025 -5.456 1.00 0.00 H new ATOM 0 HA SER A 59 -1.722 5.335 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.458 7.298 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.371 6.186 -7.751 1.00 0.00 H new ATOM 0 HG SER A 59 -1.871 5.500 -8.404 1.00 0.00 H new ATOM 926 N PHE A 60 -0.221 2.854 -6.181 1.00 0.00 N ATOM 927 CA PHE A 60 -0.130 1.509 -6.739 1.00 0.00 C ATOM 928 C PHE A 60 -1.519 0.926 -6.983 1.00 0.00 C ATOM 929 O PHE A 60 -2.273 0.676 -6.043 1.00 0.00 O ATOM 930 CB PHE A 60 0.660 0.597 -5.798 1.00 0.00 C ATOM 931 CG PHE A 60 2.142 0.625 -6.040 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.887 1.751 -5.728 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.790 -0.474 -6.580 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.251 1.780 -5.950 1.00 0.00 C ATOM 935 CE2 PHE A 60 4.154 -0.451 -6.804 1.00 0.00 C ATOM 936 CZ PHE A 60 4.885 0.677 -6.488 1.00 0.00 C ATOM 0 H PHE A 60 0.121 2.938 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 60 0.391 1.573 -7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.463 0.893 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.301 -0.426 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.396 2.616 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.223 -1.359 -6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.820 2.664 -5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.647 -1.314 -7.226 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.951 0.697 -6.661 1.00 0.00 H new ATOM 946 N ARG A 61 -1.850 0.714 -8.253 1.00 0.00 N ATOM 947 CA ARG A 61 -3.148 0.162 -8.622 1.00 0.00 C ATOM 948 C ARG A 61 -3.234 -1.317 -8.257 1.00 0.00 C ATOM 949 O ARG A 61 -2.731 -2.176 -8.982 1.00 0.00 O ATOM 950 CB ARG A 61 -3.396 0.344 -10.120 1.00 0.00 C ATOM 951 CG ARG A 61 -4.844 0.130 -10.529 1.00 0.00 C ATOM 952 CD ARG A 61 -5.080 0.534 -11.975 1.00 0.00 C ATOM 953 NE ARG A 61 -5.455 1.941 -12.096 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.536 2.583 -13.256 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.272 1.948 -14.389 1.00 0.00 N ATOM 956 NH2 ARG A 61 -5.883 3.863 -13.284 1.00 0.00 N ATOM 0 H ARG A 61 -1.237 0.916 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.915 0.701 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.090 1.349 -10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.765 -0.353 -10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.110 -0.919 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.497 0.710 -9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.176 0.349 -12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.866 -0.089 -12.402 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.666 2.459 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.006 0.964 -14.372 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.335 2.444 -15.278 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.088 4.355 -12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.945 4.355 -14.175 1.00 0.00 H new ATOM 970 N VAL A 62 -3.874 -1.607 -7.129 1.00 0.00 N ATOM 971 CA VAL A 62 -4.026 -2.982 -6.668 1.00 0.00 C ATOM 972 C VAL A 62 -5.356 -3.571 -7.127 1.00 0.00 C ATOM 973 O VAL A 62 -6.415 -2.988 -6.903 1.00 0.00 O ATOM 974 CB VAL A 62 -3.940 -3.072 -5.133 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.987 -4.523 -4.680 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.679 -2.388 -4.630 1.00 0.00 C ATOM 0 H VAL A 62 -4.296 -0.908 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.208 -3.555 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.800 -2.556 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.925 -4.567 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.922 -4.977 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.148 -5.067 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.634 -2.461 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.804 -2.874 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.693 -1.338 -4.923 1.00 0.00 H new ATOM 986 N ALA A 63 -5.291 -4.732 -7.771 1.00 0.00 N ATOM 987 CA ALA A 63 -6.489 -5.402 -8.260 1.00 0.00 C ATOM 988 C ALA A 63 -6.170 -6.810 -8.751 1.00 0.00 C ATOM 989 O ALA A 63 -5.031 -7.109 -9.110 1.00 0.00 O ATOM 990 CB ALA A 63 -7.134 -4.587 -9.372 1.00 0.00 C ATOM 0 H ALA A 63 -4.421 -5.228 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.192 -5.485 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.028 -5.100 -9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.408 -3.603 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.429 -4.473 -10.196 1.00 0.00 H new ATOM 996 N ALA A 64 -7.181 -7.672 -8.762 1.00 0.00 N ATOM 997 CA ALA A 64 -7.008 -9.048 -9.210 1.00 0.00 C ATOM 998 C ALA A 64 -6.146 -9.112 -10.467 1.00 0.00 C ATOM 999 O ALA A 64 -6.239 -8.249 -11.340 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.361 -9.696 -9.462 1.00 0.00 C ATOM 0 H ALA A 64 -8.129 -7.441 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.496 -9.599 -8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.216 -10.723 -9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.943 -9.693 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.895 -9.137 -10.230 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.307 -10.139 -10.552 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.429 -10.316 -11.702 1.00 0.00 C ATOM 1008 C VAL A 65 -5.232 -10.433 -12.993 1.00 0.00 C ATOM 1009 O VAL A 65 -6.462 -10.448 -12.971 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.544 -11.567 -11.546 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.418 -11.304 -10.557 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.381 -12.760 -11.110 1.00 0.00 C ATOM 0 H VAL A 65 -5.217 -10.861 -9.838 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.791 -9.433 -11.752 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.098 -11.799 -12.513 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.803 -12.199 -10.459 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.803 -10.479 -10.916 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.840 -11.046 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.740 -13.635 -11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.856 -12.541 -10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.148 -12.960 -11.859 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.526 -10.515 -14.117 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.173 -10.630 -15.418 1.00 0.00 C ATOM 1024 C GLN A 66 -5.015 -12.038 -15.982 1.00 0.00 C ATOM 1025 O GLN A 66 -4.102 -12.780 -15.618 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.589 -9.608 -16.394 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.242 -8.238 -16.305 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.015 -7.401 -17.548 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -5.963 -7.008 -18.228 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -3.753 -7.121 -17.851 1.00 0.00 N ATOM 0 H GLN A 66 -3.507 -10.504 -14.152 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.236 -10.429 -15.286 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.521 -9.505 -16.203 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.696 -9.987 -17.410 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.313 -8.360 -16.145 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.848 -7.708 -15.438 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.998 -7.467 -17.259 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.539 -6.560 -18.675 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.924 -12.418 -16.893 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.905 -13.739 -17.527 1.00 0.00 C ATOM 1041 C PRO A 67 -4.732 -13.906 -18.485 1.00 0.00 C ATOM 1042 O PRO A 67 -4.479 -15.001 -18.988 1.00 0.00 O ATOM 1043 CB PRO A 67 -7.231 -13.785 -18.291 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.567 -12.357 -18.552 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.039 -11.585 -17.373 1.00 0.00 C ATOM 0 HA PRO A 67 -5.790 -14.540 -16.796 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.133 -14.345 -19.221 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.009 -14.274 -17.705 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.111 -12.012 -19.480 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.644 -12.222 -18.656 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.702 -10.590 -17.663 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.801 -11.452 -16.605 1.00 0.00 H new ATOM 1053 N SER A 68 -4.017 -12.813 -18.735 1.00 0.00 N ATOM 1054 CA SER A 68 -2.872 -12.838 -19.637 1.00 0.00 C ATOM 1055 C SER A 68 -1.587 -13.147 -18.874 1.00 0.00 C ATOM 1056 O SER A 68 -0.601 -13.602 -19.455 1.00 0.00 O ATOM 1057 CB SER A 68 -2.738 -11.498 -20.363 1.00 0.00 C ATOM 1058 OG SER A 68 -3.853 -11.261 -21.205 1.00 0.00 O ATOM 0 H SER A 68 -4.211 -11.899 -18.325 1.00 0.00 H new ATOM 0 HA SER A 68 -3.037 -13.626 -20.372 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.651 -10.693 -19.634 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.823 -11.492 -20.955 1.00 0.00 H new ATOM 0 HG SER A 68 -3.744 -10.398 -21.656 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.317 -19.256 -7.509 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.614 -18.590 -7.497 1.00 0.00 C ATOM 1146 C LYS A 74 -5.643 -17.475 -6.457 1.00 0.00 C ATOM 1147 O LYS A 74 -4.710 -17.325 -5.667 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.726 -19.600 -7.209 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.124 -20.429 -8.418 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.548 -20.945 -8.297 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.556 -19.916 -8.786 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.670 -19.913 -10.271 1.00 0.00 N ATOM 0 HA LYS A 74 -5.778 -18.150 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.400 -20.269 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.602 -19.067 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.030 -19.825 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.439 -21.270 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.654 -21.863 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.758 -21.197 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.531 -20.126 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.259 -18.925 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.366 -19.198 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.745 -19.687 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.978 -20.851 -10.597 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.720 -16.696 -6.461 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.871 -15.596 -5.515 1.00 0.00 C ATOM 1168 C HIS A 75 -5.595 -14.762 -5.444 1.00 0.00 C ATOM 1169 O HIS A 75 -5.070 -14.503 -4.360 1.00 0.00 O ATOM 1170 CB HIS A 75 -7.222 -16.132 -4.127 1.00 0.00 C ATOM 1171 CG HIS A 75 -8.032 -17.392 -4.159 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -9.281 -17.468 -4.738 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.764 -18.629 -3.681 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.747 -18.698 -4.613 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.845 -19.423 -3.975 1.00 0.00 N ATOM 0 H HIS A 75 -7.501 -16.806 -7.108 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.683 -14.958 -5.865 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.301 -16.316 -3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.775 -15.368 -3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.866 -18.935 -3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.703 -19.051 -4.971 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.937 -20.411 -3.739 1.00 0.00 H new ATOM 1184 N THR A 76 -5.100 -14.345 -6.605 1.00 0.00 N ATOM 1185 CA THR A 76 -3.886 -13.543 -6.674 1.00 0.00 C ATOM 1186 C THR A 76 -4.178 -12.147 -7.214 1.00 0.00 C ATOM 1187 O THR A 76 -5.129 -11.950 -7.971 1.00 0.00 O ATOM 1188 CB THR A 76 -2.820 -14.211 -7.564 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.694 -15.596 -7.219 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.474 -13.520 -7.409 1.00 0.00 C ATOM 0 H THR A 76 -5.522 -14.550 -7.511 1.00 0.00 H new ATOM 0 HA THR A 76 -3.503 -13.464 -5.657 1.00 0.00 H new ATOM 0 HB THR A 76 -3.137 -14.122 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.016 -16.015 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.738 -14.009 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.567 -12.473 -7.699 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.151 -13.581 -6.370 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.355 -11.181 -6.821 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.526 -9.803 -7.266 1.00 0.00 C ATOM 1200 C PHE A 77 -2.184 -9.182 -7.641 1.00 0.00 C ATOM 1201 O PHE A 77 -1.127 -9.658 -7.225 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.197 -8.971 -6.171 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.663 -9.249 -4.795 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.828 -10.494 -4.211 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.996 -8.264 -4.084 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.338 -10.753 -2.945 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.503 -8.517 -2.818 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.675 -9.763 -2.247 1.00 0.00 C ATOM 0 H PHE A 77 -2.563 -11.327 -6.195 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.163 -9.810 -8.150 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.064 -7.913 -6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.269 -9.167 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.346 -11.272 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.860 -7.287 -4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.473 -11.729 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.984 -7.741 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.292 -9.962 -1.257 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.233 -8.115 -8.431 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.022 -7.426 -8.863 1.00 0.00 C ATOM 1220 C LYS A 78 -1.072 -5.949 -8.485 1.00 0.00 C ATOM 1221 O LYS A 78 -2.146 -5.353 -8.412 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.842 -7.570 -10.376 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.020 -7.050 -11.181 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.648 -6.834 -12.639 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.722 -6.050 -13.377 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.402 -5.899 -14.824 1.00 0.00 N ATOM 0 H LYS A 78 -3.099 -7.708 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.173 -7.884 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.058 -7.035 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.684 -8.621 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.847 -7.758 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.370 -6.111 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.700 -6.299 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.501 -7.799 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.681 -6.556 -13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.829 -5.064 -12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.158 -5.359 -15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.499 -5.393 -14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.325 -6.839 -15.263 1.00 0.00 H new ATOM 1240 N ALA A 79 0.098 -5.365 -8.245 1.00 0.00 N ATOM 1241 CA ALA A 79 0.187 -3.957 -7.878 1.00 0.00 C ATOM 1242 C ALA A 79 1.088 -3.194 -8.843 1.00 0.00 C ATOM 1243 O ALA A 79 2.309 -3.343 -8.816 1.00 0.00 O ATOM 1244 CB ALA A 79 0.699 -3.816 -6.452 1.00 0.00 C ATOM 0 H ALA A 79 0.996 -5.845 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.813 -3.527 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.761 -2.760 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.015 -4.320 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.688 -4.268 -6.374 1.00 0.00 H new ATOM 1250 N GLU A 80 0.476 -2.378 -9.696 1.00 0.00 N ATOM 1251 CA GLU A 80 1.224 -1.593 -10.671 1.00 0.00 C ATOM 1252 C GLU A 80 1.280 -0.125 -10.260 1.00 0.00 C ATOM 1253 O GLU A 80 0.394 0.371 -9.564 1.00 0.00 O ATOM 1254 CB GLU A 80 0.590 -1.722 -12.058 1.00 0.00 C ATOM 1255 CG GLU A 80 1.113 -0.710 -13.063 1.00 0.00 C ATOM 1256 CD GLU A 80 0.960 -1.179 -14.497 1.00 0.00 C ATOM 1257 OE1 GLU A 80 -0.071 -1.814 -14.805 1.00 0.00 O ATOM 1258 OE2 GLU A 80 1.869 -0.912 -15.310 1.00 0.00 O ATOM 0 H GLU A 80 -0.534 -2.244 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 80 2.242 -1.981 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.772 -2.727 -12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.490 -1.606 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.581 0.233 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.165 -0.512 -12.860 1.00 0.00 H new ATOM 1265 N HIS A 81 2.329 0.566 -10.695 1.00 0.00 N ATOM 1266 CA HIS A 81 2.502 1.978 -10.373 1.00 0.00 C ATOM 1267 C HIS A 81 2.732 2.800 -11.637 1.00 0.00 C ATOM 1268 O HIS A 81 2.663 2.278 -12.749 1.00 0.00 O ATOM 1269 CB HIS A 81 3.675 2.163 -9.409 1.00 0.00 C ATOM 1270 CG HIS A 81 3.539 3.362 -8.523 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.618 4.006 -7.956 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.441 4.036 -8.108 1.00 0.00 C ATOM 1273 CE1 HIS A 81 4.190 5.023 -7.229 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.872 5.063 -7.305 1.00 0.00 N ATOM 0 H HIS A 81 3.072 0.171 -11.271 1.00 0.00 H new ATOM 0 HA HIS A 81 1.589 2.330 -9.894 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.769 1.272 -8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.597 2.249 -9.984 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.595 3.739 -8.079 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.416 3.808 -8.361 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.812 5.705 -6.668 1.00 0.00 H new ATOM 1316 N ARG A 85 7.083 -0.423 -11.276 1.00 0.00 N ATOM 1317 CA ARG A 85 7.247 -1.867 -11.158 1.00 0.00 C ATOM 1318 C ARG A 85 5.906 -2.548 -10.905 1.00 0.00 C ATOM 1319 O ARG A 85 4.997 -1.957 -10.321 1.00 0.00 O ATOM 1320 CB ARG A 85 8.222 -2.200 -10.028 1.00 0.00 C ATOM 1321 CG ARG A 85 8.771 -3.616 -10.094 1.00 0.00 C ATOM 1322 CD ARG A 85 10.038 -3.684 -10.933 1.00 0.00 C ATOM 1323 NE ARG A 85 10.367 -5.054 -11.317 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.274 -5.361 -12.237 1.00 0.00 C ATOM 1325 NH1 ARG A 85 11.940 -4.401 -12.863 1.00 0.00 N ATOM 1326 NH2 ARG A 85 11.518 -6.632 -12.531 1.00 0.00 N ATOM 0 HA ARG A 85 7.652 -2.239 -12.099 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.053 -1.495 -10.057 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.718 -2.059 -9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.981 -3.973 -9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.017 -4.280 -10.517 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.912 -3.077 -11.829 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.868 -3.256 -10.371 1.00 0.00 H new ATOM 0 HE ARG A 85 9.873 -5.817 -10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.756 -3.423 -12.639 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.636 -4.640 -13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.009 -7.374 -12.050 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.215 -6.867 -13.238 1.00 0.00 H new ATOM 1340 N THR A 86 5.788 -3.796 -11.348 1.00 0.00 N ATOM 1341 CA THR A 86 4.558 -4.557 -11.171 1.00 0.00 C ATOM 1342 C THR A 86 4.775 -5.742 -10.236 1.00 0.00 C ATOM 1343 O THR A 86 5.420 -6.725 -10.603 1.00 0.00 O ATOM 1344 CB THR A 86 4.018 -5.073 -12.518 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.313 -4.132 -13.557 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.516 -5.303 -12.447 1.00 0.00 C ATOM 0 H THR A 86 6.530 -4.301 -11.832 1.00 0.00 H new ATOM 0 HA THR A 86 3.827 -3.879 -10.731 1.00 0.00 H new ATOM 0 HB THR A 86 4.505 -6.023 -12.739 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.968 -4.468 -14.410 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.158 -5.667 -13.410 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.297 -6.041 -11.676 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.015 -4.366 -12.205 1.00 0.00 H new ATOM 1354 N TYR A 87 4.232 -5.643 -9.028 1.00 0.00 N ATOM 1355 CA TYR A 87 4.367 -6.706 -8.040 1.00 0.00 C ATOM 1356 C TYR A 87 3.223 -7.709 -8.159 1.00 0.00 C ATOM 1357 O TYR A 87 2.263 -7.488 -8.896 1.00 0.00 O ATOM 1358 CB TYR A 87 4.399 -6.118 -6.628 1.00 0.00 C ATOM 1359 CG TYR A 87 5.678 -5.375 -6.311 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.959 -4.151 -6.905 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.605 -5.898 -5.418 1.00 0.00 C ATOM 1362 CE1 TYR A 87 7.126 -3.469 -6.619 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.774 -5.223 -5.125 1.00 0.00 C ATOM 1364 CZ TYR A 87 8.030 -4.009 -5.728 1.00 0.00 C ATOM 1365 OH TYR A 87 9.193 -3.334 -5.439 1.00 0.00 O ATOM 0 H TYR A 87 3.694 -4.837 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 87 5.305 -7.227 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.555 -5.439 -6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.267 -6.923 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.253 -3.725 -7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.408 -6.849 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.329 -2.519 -7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.484 -5.643 -4.428 1.00 0.00 H new ATOM 0 HH TYR A 87 9.719 -3.850 -4.793 1.00 0.00 H new ATOM 1375 N PHE A 88 3.335 -8.813 -7.427 1.00 0.00 N ATOM 1376 CA PHE A 88 2.311 -9.851 -7.449 1.00 0.00 C ATOM 1377 C PHE A 88 2.213 -10.547 -6.094 1.00 0.00 C ATOM 1378 O PHE A 88 3.208 -11.043 -5.565 1.00 0.00 O ATOM 1379 CB PHE A 88 2.620 -10.878 -8.541 1.00 0.00 C ATOM 1380 CG PHE A 88 2.307 -10.391 -9.927 1.00 0.00 C ATOM 1381 CD1 PHE A 88 3.137 -9.478 -10.559 1.00 0.00 C ATOM 1382 CD2 PHE A 88 1.184 -10.846 -10.598 1.00 0.00 C ATOM 1383 CE1 PHE A 88 2.851 -9.029 -11.834 1.00 0.00 C ATOM 1384 CE2 PHE A 88 0.893 -10.400 -11.874 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.728 -9.491 -12.492 1.00 0.00 C ATOM 0 H PHE A 88 4.124 -9.012 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 88 1.353 -9.378 -7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.675 -11.146 -8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.050 -11.786 -8.346 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.017 -9.114 -10.049 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.528 -11.558 -10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.505 -8.317 -12.316 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.014 -10.762 -12.386 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.503 -9.141 -13.489 1.00 0.00 H new ATOM 1395 N PHE A 89 1.006 -10.579 -5.539 1.00 0.00 N ATOM 1396 CA PHE A 89 0.776 -11.212 -4.245 1.00 0.00 C ATOM 1397 C PHE A 89 -0.372 -12.213 -4.326 1.00 0.00 C ATOM 1398 O PHE A 89 -1.488 -11.864 -4.712 1.00 0.00 O ATOM 1399 CB PHE A 89 0.472 -10.154 -3.183 1.00 0.00 C ATOM 1400 CG PHE A 89 1.489 -9.049 -3.128 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.753 -9.279 -2.608 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.181 -7.782 -3.596 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.690 -8.264 -2.555 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.114 -6.764 -3.547 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.371 -7.006 -3.027 1.00 0.00 C ATOM 0 H PHE A 89 0.172 -10.174 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 89 1.683 -11.748 -3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.510 -9.724 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.418 -10.636 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.009 -10.262 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.200 -7.588 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.671 -8.455 -2.145 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.861 -5.781 -3.915 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.103 -6.213 -2.990 1.00 0.00 H new ATOM 1415 N SER A 90 -0.090 -13.459 -3.959 1.00 0.00 N ATOM 1416 CA SER A 90 -1.098 -14.513 -3.994 1.00 0.00 C ATOM 1417 C SER A 90 -1.547 -14.881 -2.583 1.00 0.00 C ATOM 1418 O SER A 90 -0.726 -15.038 -1.679 1.00 0.00 O ATOM 1419 CB SER A 90 -0.548 -15.750 -4.706 1.00 0.00 C ATOM 1420 OG SER A 90 -1.510 -16.790 -4.736 1.00 0.00 O ATOM 0 H SER A 90 0.828 -13.764 -3.634 1.00 0.00 H new ATOM 0 HA SER A 90 -1.961 -14.139 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.258 -15.489 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.351 -16.097 -4.197 1.00 0.00 H new ATOM 0 HG SER A 90 -2.102 -16.666 -5.507 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.856 -15.019 -2.403 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.416 -15.371 -1.104 1.00 0.00 C ATOM 1428 C ALA A 91 -3.855 -16.831 -1.073 1.00 0.00 C ATOM 1429 O ALA A 91 -4.505 -17.312 -2.000 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.586 -14.458 -0.768 1.00 0.00 C ATOM 0 H ALA A 91 -3.549 -14.892 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.638 -15.237 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.994 -14.733 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.244 -13.424 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.360 -14.563 -1.529 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.495 -17.530 0.000 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.851 -18.936 0.149 1.00 0.00 C ATOM 1438 C GLU A 92 -5.353 -19.139 -0.035 1.00 0.00 C ATOM 1439 O GLU A 92 -5.785 -20.066 -0.720 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.421 -19.450 1.524 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.946 -19.236 1.820 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.436 -20.137 2.928 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.973 -20.055 4.053 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.501 -20.924 2.671 1.00 0.00 O ATOM 0 H GLU A 92 -2.958 -17.146 0.777 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.328 -19.501 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.013 -18.950 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.646 -20.514 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.368 -19.418 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.783 -18.195 2.099 1.00 0.00 H new ATOM 1451 N SER A 93 -6.142 -18.266 0.582 1.00 0.00 N ATOM 1452 CA SER A 93 -7.595 -18.351 0.491 1.00 0.00 C ATOM 1453 C SER A 93 -8.161 -17.165 -0.284 1.00 0.00 C ATOM 1454 O SER A 93 -7.527 -16.118 -0.417 1.00 0.00 O ATOM 1455 CB SER A 93 -8.213 -18.404 1.889 1.00 0.00 C ATOM 1456 OG SER A 93 -8.244 -19.731 2.384 1.00 0.00 O ATOM 0 H SER A 93 -5.800 -17.491 1.151 1.00 0.00 H new ATOM 0 HA SER A 93 -7.848 -19.266 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.639 -17.773 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.225 -18.001 1.858 1.00 0.00 H new ATOM 0 HG SER A 93 -8.642 -19.737 3.280 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.385 -17.331 -0.807 1.00 0.00 N ATOM 1463 CA PRO A 94 -10.065 -16.285 -1.577 1.00 0.00 C ATOM 1464 C PRO A 94 -10.490 -15.108 -0.706 1.00 0.00 C ATOM 1465 O PRO A 94 -10.412 -13.954 -1.126 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.293 -17.003 -2.143 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.548 -18.122 -1.193 1.00 0.00 C ATOM 1468 CD PRO A 94 -10.199 -18.552 -0.688 1.00 0.00 C ATOM 0 HA PRO A 94 -9.417 -15.854 -2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.150 -16.333 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.105 -17.374 -3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.187 -17.798 -0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.060 -18.946 -1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.249 -18.903 0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.789 -19.368 -1.283 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.940 -15.408 0.508 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.378 -14.373 1.437 1.00 0.00 C ATOM 1478 C GLU A 95 -10.247 -13.393 1.732 1.00 0.00 C ATOM 1479 O GLU A 95 -10.488 -12.237 2.078 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.875 -15.003 2.740 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.758 -15.532 3.624 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.277 -16.216 4.875 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -12.306 -16.919 4.782 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.657 -16.047 5.945 1.00 0.00 O ATOM 0 H GLU A 95 -11.011 -16.359 0.871 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.197 -13.826 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.448 -14.262 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.557 -15.820 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.152 -16.236 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.105 -14.708 3.910 1.00 0.00 H new ATOM 1491 N GLU A 96 -9.012 -13.864 1.594 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.843 -13.030 1.847 1.00 0.00 C ATOM 1493 C GLU A 96 -7.558 -12.117 0.657 1.00 0.00 C ATOM 1494 O GLU A 96 -7.481 -10.898 0.803 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.620 -13.901 2.139 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.445 -14.229 3.612 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.692 -15.527 3.836 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.549 -15.641 3.346 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -6.246 -16.428 4.499 1.00 0.00 O ATOM 0 H GLU A 96 -8.795 -14.819 1.308 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.054 -12.409 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.703 -14.830 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.726 -13.390 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.910 -13.414 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.425 -14.296 4.084 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.402 -12.718 -0.518 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.125 -11.960 -1.732 1.00 0.00 C ATOM 1508 C GLN A 97 -7.958 -10.684 -1.780 1.00 0.00 C ATOM 1509 O GLN A 97 -7.418 -9.578 -1.779 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.408 -12.815 -2.968 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.197 -12.077 -4.280 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.059 -12.621 -5.402 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.024 -13.348 -5.162 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.716 -12.271 -6.636 1.00 0.00 N ATOM 0 H GLN A 97 -7.463 -13.727 -0.655 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.071 -11.683 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.763 -13.693 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.436 -13.173 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.419 -11.019 -4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.148 -12.147 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.909 -11.667 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.260 -12.606 -7.431 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.277 -10.845 -1.821 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.185 -9.705 -1.870 1.00 0.00 C ATOM 1525 C GLU A 98 -9.855 -8.700 -0.770 1.00 0.00 C ATOM 1526 O GLU A 98 -9.612 -7.525 -1.041 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.635 -10.173 -1.731 1.00 0.00 C ATOM 1528 CG GLU A 98 -12.052 -11.185 -2.784 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.348 -11.890 -2.436 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.474 -12.365 -1.287 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -14.236 -11.968 -3.310 1.00 0.00 O ATOM 0 H GLU A 98 -9.740 -11.754 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.061 -9.215 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.773 -10.612 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.295 -9.307 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -12.164 -10.680 -3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.261 -11.925 -2.904 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.851 -9.172 0.473 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.550 -8.316 1.613 1.00 0.00 C ATOM 1540 C ALA A 99 -8.328 -7.446 1.340 1.00 0.00 C ATOM 1541 O ALA A 99 -8.355 -6.235 1.560 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.333 -9.157 2.862 1.00 0.00 C ATOM 0 H ALA A 99 -10.053 -10.142 0.715 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.403 -7.657 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.109 -8.504 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.235 -9.730 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.499 -9.840 2.700 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.258 -8.071 0.862 1.00 0.00 N ATOM 1549 CA TRP A 100 -6.025 -7.353 0.560 1.00 0.00 C ATOM 1550 C TRP A 100 -6.256 -6.308 -0.527 1.00 0.00 C ATOM 1551 O TRP A 100 -6.004 -5.120 -0.322 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.936 -8.332 0.120 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.168 -8.920 1.265 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.359 -10.146 1.836 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.090 -8.306 1.979 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.464 -10.331 2.862 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.674 -9.218 2.969 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.433 -7.077 1.877 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.634 -8.936 3.851 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.401 -6.798 2.753 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -1.009 -7.725 3.728 1.00 0.00 C ATOM 0 H TRP A 100 -7.219 -9.073 0.675 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.700 -6.842 1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.393 -9.138 -0.454 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.244 -7.818 -0.547 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.104 -10.864 1.527 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.399 -11.163 3.449 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.726 -6.358 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.332 -9.648 4.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.888 -5.850 2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.197 -7.479 4.396 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.736 -6.757 -1.681 1.00 0.00 N ATOM 1573 CA ILE A 101 -7.002 -5.860 -2.799 1.00 0.00 C ATOM 1574 C ILE A 101 -7.611 -4.547 -2.317 1.00 0.00 C ATOM 1575 O ILE A 101 -7.309 -3.480 -2.850 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.950 -6.506 -3.827 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.244 -7.652 -4.554 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.442 -5.464 -4.820 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -8.170 -8.483 -5.414 1.00 0.00 C ATOM 0 H ILE A 101 -6.949 -7.737 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.043 -5.660 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.813 -6.913 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.451 -7.241 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.766 -8.299 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.111 -5.935 -5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.978 -4.678 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.590 -5.031 -5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.602 -9.277 -5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.948 -8.923 -4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.628 -7.849 -6.173 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.467 -4.635 -1.304 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.117 -3.454 -0.750 1.00 0.00 C ATOM 1593 C GLN A 102 -8.212 -2.759 0.262 1.00 0.00 C ATOM 1594 O GLN A 102 -7.836 -1.601 0.080 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.442 -3.838 -0.088 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.499 -4.313 -1.072 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.353 -3.178 -1.603 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -11.898 -2.039 -1.706 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.599 -3.485 -1.945 1.00 0.00 N ATOM 0 H GLN A 102 -8.726 -5.511 -0.851 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.315 -2.762 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.258 -4.625 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.828 -2.978 0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.013 -4.818 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -12.140 -5.048 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.935 -4.443 -1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.220 -2.763 -2.310 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.867 -3.473 1.328 1.00 0.00 N ATOM 1609 CA ALA A 103 -7.005 -2.925 2.368 1.00 0.00 C ATOM 1610 C ALA A 103 -5.846 -2.139 1.763 1.00 0.00 C ATOM 1611 O ALA A 103 -5.728 -0.932 1.969 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.479 -4.040 3.260 1.00 0.00 C ATOM 0 H ALA A 103 -8.171 -4.432 1.494 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.599 -2.240 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.837 -3.616 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.317 -4.557 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.906 -4.747 2.660 1.00 0.00 H new ATOM 1618 N MET A 104 -4.993 -2.832 1.016 1.00 0.00 N ATOM 1619 CA MET A 104 -3.844 -2.198 0.380 1.00 0.00 C ATOM 1620 C MET A 104 -4.281 -1.347 -0.808 1.00 0.00 C ATOM 1621 O MET A 104 -3.545 -0.471 -1.260 1.00 0.00 O ATOM 1622 CB MET A 104 -2.838 -3.256 -0.077 1.00 0.00 C ATOM 1623 CG MET A 104 -3.304 -4.055 -1.284 1.00 0.00 C ATOM 1624 SD MET A 104 -1.933 -4.679 -2.275 1.00 0.00 S ATOM 1625 CE MET A 104 -0.819 -5.246 -0.992 1.00 0.00 C ATOM 0 H MET A 104 -5.076 -3.833 0.836 1.00 0.00 H new ATOM 0 HA MET A 104 -3.367 -1.548 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.893 -2.768 -0.317 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.642 -3.941 0.748 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.914 -4.893 -0.947 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.941 -3.427 -1.907 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.047 -5.876 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.354 -4.387 -0.508 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.378 -5.820 -0.253 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.483 -1.612 -1.310 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.996 -0.862 -2.442 1.00 0.00 C ATOM 1637 C GLY A 105 -6.261 0.591 -2.102 1.00 0.00 C ATOM 1638 O GLY A 105 -5.791 1.492 -2.797 1.00 0.00 O ATOM 0 H GLY A 105 -6.111 -2.332 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.281 -0.915 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.919 -1.324 -2.792 1.00 0.00 H new ATOM 1642 N GLU A 106 -7.016 0.820 -1.032 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.344 2.175 -0.605 1.00 0.00 C ATOM 1644 C GLU A 106 -6.078 3.001 -0.397 1.00 0.00 C ATOM 1645 O GLU A 106 -5.965 4.119 -0.898 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.162 2.141 0.688 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.315 1.990 1.940 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.150 1.916 3.204 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.871 0.912 3.381 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.081 2.862 4.016 1.00 0.00 O ATOM 0 H GLU A 106 -7.412 0.085 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.937 2.643 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.746 3.058 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.871 1.315 0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.708 1.089 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.627 2.832 2.012 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.128 2.442 0.345 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.870 3.125 0.618 1.00 0.00 C ATOM 1659 C ALA A 107 -3.286 3.730 -0.654 1.00 0.00 C ATOM 1660 O ALA A 107 -2.630 4.770 -0.614 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.875 2.165 1.253 1.00 0.00 C ATOM 0 H ALA A 107 -5.206 1.517 0.768 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.071 3.937 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.940 2.689 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.283 1.784 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.688 1.333 0.574 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.530 3.071 -1.783 1.00 0.00 N ATOM 1668 CA ALA A 108 -3.029 3.545 -3.067 1.00 0.00 C ATOM 1669 C ALA A 108 -3.913 4.655 -3.625 1.00 0.00 C ATOM 1670 O ALA A 108 -3.425 5.589 -4.261 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.938 2.392 -4.056 1.00 0.00 C ATOM 0 H ALA A 108 -4.071 2.208 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.031 3.955 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.562 2.760 -5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.259 1.632 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.927 1.956 -4.199 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.216 4.545 -3.384 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.168 5.539 -3.865 1.00 0.00 C ATOM 1679 C ARG A 109 -5.905 6.898 -3.223 1.00 0.00 C ATOM 1680 O ARG A 109 -5.407 6.981 -2.100 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.600 5.090 -3.566 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.222 4.261 -4.678 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.457 3.517 -4.193 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.111 2.781 -5.272 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.109 1.926 -5.078 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.565 1.701 -3.854 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -11.652 1.294 -6.111 1.00 0.00 N ATOM 0 H ARG A 109 -5.636 3.778 -2.859 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.042 5.635 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.605 4.508 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.219 5.970 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.491 4.911 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.490 3.547 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.175 2.824 -3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.161 4.227 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.784 2.932 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.150 2.185 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.331 1.044 -3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.303 1.465 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.418 0.638 -5.962 1.00 0.00 H new