USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 25 TYR OH : rot -138:sc= 0.519 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -3.95! C(o=-3.4!,f=-6.5!) USER MOD Set 2.1: A 44 CYS SG : rot 76:sc= -0.521 USER MOD Set 2.2: A 68 ASN : amide:sc= -1.01 K(o=-1.5,f=-2.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -0.314 (180deg=-1.27) USER MOD Single : A 18 CYS SG : rot -150:sc= 1.21 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.471 F(o=-1.8!,f=-0.47) USER MOD Single : A 21 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.69) USER MOD Single : A 22 THR OG1 : rot -67:sc= 1.16 USER MOD Single : A 29 ASN : amide:sc= -1.98! C(o=-2!,f=-8.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -75:sc= 1.36 USER MOD Single : A 35 MET CE :methyl 161:sc= -0.0935 (180deg=-0.536) USER MOD Single : A 36 SER OG : rot -110:sc= -0.374 USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.0449 (180deg=-0.84) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.00491 K(o=-0.0049,f=-1.6) USER MOD Single : A 64 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.6) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.81 K(o=-0.81,f=-2.3!) USER MOD Single : A 70 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.032) USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= -0.0402 (180deg=-0.284) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -108:sc= -1.59 (180deg=-3.63!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= -0.121 (180deg=-0.511) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 174:sc= -4.43! (180deg=-4.55!) USER MOD Single : A 104 MET CE :methyl -171:sc= 0 (180deg=-0.01) USER MOD Single : A 105 TYR OH : rot 116:sc= 0.141 USER MOD Single : A 107 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 108 GLN :FLIP amide:sc= -4.69! C(o=-5.7!,f=-4.7!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -147:sc= -1.3 (180deg=-2.32!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 7.567 -9.434 -7.822 1.00 0.00 N ATOM 128 CA SER A 12 7.612 -8.183 -8.570 1.00 0.00 C ATOM 129 C SER A 12 8.463 -7.146 -7.844 1.00 0.00 C ATOM 130 O SER A 12 8.446 -7.061 -6.616 1.00 0.00 O ATOM 131 CB SER A 12 6.198 -7.640 -8.783 1.00 0.00 C ATOM 132 OG SER A 12 5.533 -8.342 -9.819 1.00 0.00 O ATOM 0 HA SER A 12 8.066 -8.385 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.629 -7.726 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.246 -6.580 -9.030 1.00 0.00 H new ATOM 0 HG SER A 12 4.631 -7.977 -9.934 1.00 0.00 H new ATOM 138 N LYS A 13 9.208 -6.359 -8.612 1.00 0.00 N ATOM 139 CA LYS A 13 10.066 -5.325 -8.045 1.00 0.00 C ATOM 140 C LYS A 13 9.293 -4.458 -7.057 1.00 0.00 C ATOM 141 O LYS A 13 9.794 -4.125 -5.982 1.00 0.00 O ATOM 142 CB LYS A 13 10.652 -4.453 -9.157 1.00 0.00 C ATOM 143 CG LYS A 13 11.908 -3.704 -8.745 1.00 0.00 C ATOM 144 CD LYS A 13 12.817 -3.444 -9.935 1.00 0.00 C ATOM 145 CE LYS A 13 13.756 -4.615 -10.184 1.00 0.00 C ATOM 146 NZ LYS A 13 13.128 -5.655 -11.046 1.00 0.00 N ATOM 0 H LYS A 13 9.235 -6.417 -9.630 1.00 0.00 H new ATOM 0 HA LYS A 13 10.880 -5.816 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.880 -5.081 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.899 -3.733 -9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.632 -2.756 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.447 -4.281 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.212 -3.265 -10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.400 -2.540 -9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.669 -4.254 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.044 -5.059 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.869 -6.173 -11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.590 -6.319 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.487 -5.201 -11.727 1.00 0.00 H new ATOM 160 N LEU A 14 8.070 -4.095 -7.427 1.00 0.00 N ATOM 161 CA LEU A 14 7.226 -3.267 -6.572 1.00 0.00 C ATOM 162 C LEU A 14 7.107 -3.870 -5.176 1.00 0.00 C ATOM 163 O LEU A 14 7.281 -3.178 -4.173 1.00 0.00 O ATOM 164 CB LEU A 14 5.837 -3.109 -7.193 1.00 0.00 C ATOM 165 CG LEU A 14 4.801 -2.374 -6.342 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.151 -0.898 -6.232 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.407 -2.551 -6.926 1.00 0.00 C ATOM 0 H LEU A 14 7.640 -4.361 -8.313 1.00 0.00 H new ATOM 0 HA LEU A 14 7.692 -2.285 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.942 -2.579 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.450 -4.101 -7.425 1.00 0.00 H new ATOM 0 HG LEU A 14 4.811 -2.805 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.403 -0.391 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.131 -0.790 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.171 -0.454 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.683 -2.021 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.383 -2.148 -7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.155 -3.611 -6.952 1.00 0.00 H new ATOM 179 N LEU A 15 6.810 -5.163 -5.120 1.00 0.00 N ATOM 180 CA LEU A 15 6.670 -5.861 -3.846 1.00 0.00 C ATOM 181 C LEU A 15 7.837 -5.541 -2.918 1.00 0.00 C ATOM 182 O LEU A 15 7.642 -5.076 -1.796 1.00 0.00 O ATOM 183 CB LEU A 15 6.586 -7.371 -4.076 1.00 0.00 C ATOM 184 CG LEU A 15 6.743 -8.249 -2.834 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.548 -8.083 -1.908 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.914 -9.708 -3.231 1.00 0.00 C ATOM 0 H LEU A 15 6.661 -5.750 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 15 5.749 -5.520 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.623 -7.595 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.356 -7.652 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 15 7.638 -7.931 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.678 -8.715 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.471 -7.041 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.638 -8.373 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.024 -10.318 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.038 -10.038 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.802 -9.814 -3.854 1.00 0.00 H new ATOM 198 N GLY A 16 9.053 -5.791 -3.396 1.00 0.00 N ATOM 199 CA GLY A 16 10.234 -5.522 -2.597 1.00 0.00 C ATOM 200 C GLY A 16 10.168 -4.177 -1.901 1.00 0.00 C ATOM 201 O GLY A 16 10.250 -4.101 -0.675 1.00 0.00 O ATOM 0 H GLY A 16 9.241 -6.175 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.351 -6.308 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.116 -5.554 -3.236 1.00 0.00 H new ATOM 205 N TRP A 17 10.022 -3.114 -2.684 1.00 0.00 N ATOM 206 CA TRP A 17 9.948 -1.765 -2.135 1.00 0.00 C ATOM 207 C TRP A 17 9.074 -1.733 -0.886 1.00 0.00 C ATOM 208 O TRP A 17 9.493 -1.243 0.164 1.00 0.00 O ATOM 209 CB TRP A 17 9.397 -0.796 -3.182 1.00 0.00 C ATOM 210 CG TRP A 17 9.449 0.638 -2.749 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.557 1.434 -2.680 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.345 1.446 -2.324 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.208 2.688 -2.237 1.00 0.00 N ATOM 214 CE2 TRP A 17 8.857 2.720 -2.013 1.00 0.00 C ATOM 215 CE3 TRP A 17 6.975 1.216 -2.178 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.046 3.759 -1.564 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.171 2.248 -1.732 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.707 3.506 -1.430 1.00 0.00 C ATOM 0 H TRP A 17 9.953 -3.160 -3.701 1.00 0.00 H new ATOM 0 HA TRP A 17 10.956 -1.456 -1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.964 -0.910 -4.106 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.364 -1.063 -3.406 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.559 1.124 -2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 17 10.851 3.468 -2.098 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.552 0.250 -2.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.458 4.729 -1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.110 2.081 -1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.052 4.292 -1.085 1.00 0.00 H new ATOM 229 N CYS A 18 7.860 -2.259 -1.005 1.00 0.00 N ATOM 230 CA CYS A 18 6.927 -2.290 0.116 1.00 0.00 C ATOM 231 C CYS A 18 7.486 -3.121 1.266 1.00 0.00 C ATOM 232 O CYS A 18 7.542 -2.661 2.406 1.00 0.00 O ATOM 233 CB CYS A 18 5.579 -2.858 -0.331 1.00 0.00 C ATOM 234 SG CYS A 18 4.807 -1.945 -1.688 1.00 0.00 S ATOM 0 H CYS A 18 7.499 -2.670 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 18 6.784 -1.268 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.717 -3.895 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.899 -2.865 0.521 1.00 0.00 H new ATOM 0 HG CYS A 18 3.514 -2.045 -1.598 1.00 0.00 H new ATOM 240 N GLN A 19 7.896 -4.347 0.958 1.00 0.00 N ATOM 241 CA GLN A 19 8.448 -5.243 1.968 1.00 0.00 C ATOM 242 C GLN A 19 9.497 -4.529 2.814 1.00 0.00 C ATOM 243 O GLN A 19 9.532 -4.682 4.035 1.00 0.00 O ATOM 244 CB GLN A 19 9.065 -6.476 1.303 1.00 0.00 C ATOM 245 CG GLN A 19 8.070 -7.292 0.493 1.00 0.00 C ATOM 246 CD GLN A 19 8.488 -8.741 0.345 1.00 0.00 C ATOM 247 OE1 GLN A 19 7.508 -9.633 0.254 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 9.677 -9.057 0.314 1.00 0.00 N flip ATOM 0 H GLN A 19 7.857 -4.743 0.019 1.00 0.00 H new ATOM 0 HA GLN A 19 7.635 -5.559 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.878 -6.158 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.503 -7.112 2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.093 -7.247 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.960 -6.847 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.398 -8.339 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.942 -10.037 0.215 1.00 0.00 H new ATOM 257 N ARG A 20 10.350 -3.750 2.157 1.00 0.00 N ATOM 258 CA ARG A 20 11.401 -3.014 2.849 1.00 0.00 C ATOM 259 C ARG A 20 10.828 -1.800 3.574 1.00 0.00 C ATOM 260 O ARG A 20 11.106 -1.580 4.752 1.00 0.00 O ATOM 261 CB ARG A 20 12.479 -2.569 1.859 1.00 0.00 C ATOM 262 CG ARG A 20 13.349 -3.707 1.352 1.00 0.00 C ATOM 263 CD ARG A 20 14.420 -4.083 2.364 1.00 0.00 C ATOM 264 NE ARG A 20 14.900 -5.449 2.172 1.00 0.00 N ATOM 265 CZ ARG A 20 15.735 -6.058 3.006 1.00 0.00 C ATOM 266 NH1 ARG A 20 16.180 -5.427 4.083 1.00 0.00 N ATOM 267 NH2 ARG A 20 16.126 -7.303 2.762 1.00 0.00 N ATOM 0 H ARG A 20 10.334 -3.612 1.146 1.00 0.00 H new ATOM 0 HA ARG A 20 11.849 -3.679 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.001 -2.082 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.114 -1.823 2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.726 -4.576 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.820 -3.416 0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.257 -3.390 2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.019 -3.978 3.372 1.00 0.00 H new ATOM 0 HE ARG A 20 14.576 -5.963 1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.881 -4.471 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.821 -5.898 4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.785 -7.792 1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.767 -7.771 3.402 1.00 0.00 H new ATOM 281 N GLN A 21 10.027 -1.015 2.860 1.00 0.00 N ATOM 282 CA GLN A 21 9.416 0.177 3.435 1.00 0.00 C ATOM 283 C GLN A 21 8.540 -0.183 4.630 1.00 0.00 C ATOM 284 O GLN A 21 8.821 0.214 5.762 1.00 0.00 O ATOM 285 CB GLN A 21 8.584 0.909 2.380 1.00 0.00 C ATOM 286 CG GLN A 21 9.422 1.616 1.328 1.00 0.00 C ATOM 287 CD GLN A 21 10.739 2.129 1.878 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.764 2.978 2.769 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.842 1.614 1.348 1.00 0.00 N ATOM 0 H GLN A 21 9.786 -1.183 1.883 1.00 0.00 H new ATOM 0 HA GLN A 21 10.215 0.834 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.926 0.193 1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.946 1.640 2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.619 0.929 0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.854 2.451 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.774 0.912 0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.757 1.920 1.678 1.00 0.00 H new ATOM 298 N THR A 22 7.475 -0.937 4.372 1.00 0.00 N ATOM 299 CA THR A 22 6.557 -1.349 5.427 1.00 0.00 C ATOM 300 C THR A 22 7.314 -1.885 6.636 1.00 0.00 C ATOM 301 O THR A 22 6.996 -1.550 7.778 1.00 0.00 O ATOM 302 CB THR A 22 5.578 -2.428 4.928 1.00 0.00 C ATOM 303 OG1 THR A 22 6.302 -3.592 4.514 1.00 0.00 O ATOM 304 CG2 THR A 22 4.741 -1.907 3.770 1.00 0.00 C ATOM 0 H THR A 22 7.227 -1.274 3.442 1.00 0.00 H new ATOM 0 HA THR A 22 5.993 -0.464 5.719 1.00 0.00 H new ATOM 0 HB THR A 22 4.910 -2.688 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.837 -3.380 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.057 -2.687 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.169 -1.039 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.396 -1.621 2.947 1.00 0.00 H new ATOM 312 N ASP A 23 8.317 -2.717 6.380 1.00 0.00 N ATOM 313 CA ASP A 23 9.121 -3.298 7.449 1.00 0.00 C ATOM 314 C ASP A 23 9.357 -2.284 8.564 1.00 0.00 C ATOM 315 O ASP A 23 9.794 -1.162 8.314 1.00 0.00 O ATOM 316 CB ASP A 23 10.460 -3.791 6.898 1.00 0.00 C ATOM 317 CG ASP A 23 11.322 -4.437 7.965 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.629 -3.762 8.970 1.00 0.00 O ATOM 319 OD2 ASP A 23 11.688 -5.619 7.795 1.00 0.00 O ATOM 0 H ASP A 23 8.593 -3.005 5.441 1.00 0.00 H new ATOM 0 HA ASP A 23 8.574 -4.145 7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.278 -4.509 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.999 -2.952 6.458 1.00 0.00 H new ATOM 324 N GLY A 24 9.063 -2.688 9.796 1.00 0.00 N ATOM 325 CA GLY A 24 9.249 -1.803 10.931 1.00 0.00 C ATOM 326 C GLY A 24 7.960 -1.551 11.687 1.00 0.00 C ATOM 327 O GLY A 24 7.974 -1.337 12.899 1.00 0.00 O ATOM 0 H GLY A 24 8.699 -3.612 10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.985 -2.236 11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.655 -0.853 10.584 1.00 0.00 H new ATOM 331 N TYR A 25 6.842 -1.574 10.970 1.00 0.00 N ATOM 332 CA TYR A 25 5.538 -1.342 11.580 1.00 0.00 C ATOM 333 C TYR A 25 5.123 -2.528 12.446 1.00 0.00 C ATOM 334 O TYR A 25 5.869 -3.495 12.592 1.00 0.00 O ATOM 335 CB TYR A 25 4.483 -1.092 10.501 1.00 0.00 C ATOM 336 CG TYR A 25 4.420 0.347 10.039 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.375 0.862 9.172 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.403 1.190 10.470 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.321 2.176 8.749 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.340 2.505 10.051 1.00 0.00 C ATOM 341 CZ TYR A 25 4.301 2.993 9.191 1.00 0.00 C ATOM 342 OH TYR A 25 4.243 4.302 8.770 1.00 0.00 O ATOM 0 H TYR A 25 6.812 -1.751 9.966 1.00 0.00 H new ATOM 0 HA TYR A 25 5.615 -0.460 12.215 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.693 -1.731 9.644 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.506 -1.385 10.885 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.174 0.224 8.823 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.649 0.811 11.144 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.073 2.561 8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.543 3.147 10.395 1.00 0.00 H new ATOM 0 HH TYR A 25 4.003 4.878 9.525 1.00 0.00 H new ATOM 352 N ALA A 26 3.926 -2.445 13.018 1.00 0.00 N ATOM 353 CA ALA A 26 3.409 -3.511 13.867 1.00 0.00 C ATOM 354 C ALA A 26 2.338 -4.319 13.144 1.00 0.00 C ATOM 355 O ALA A 26 1.321 -3.775 12.714 1.00 0.00 O ATOM 356 CB ALA A 26 2.854 -2.933 15.161 1.00 0.00 C ATOM 0 H ALA A 26 3.296 -1.650 12.909 1.00 0.00 H new ATOM 0 HA ALA A 26 4.233 -4.183 14.106 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.471 -3.740 15.785 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.646 -2.407 15.694 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.047 -2.238 14.932 1.00 0.00 H new ATOM 362 N GLY A 27 2.573 -5.621 13.011 1.00 0.00 N ATOM 363 CA GLY A 27 1.619 -6.482 12.338 1.00 0.00 C ATOM 364 C GLY A 27 1.459 -6.135 10.871 1.00 0.00 C ATOM 365 O GLY A 27 0.417 -6.402 10.272 1.00 0.00 O ATOM 0 H GLY A 27 3.407 -6.094 13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.942 -7.519 12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.652 -6.405 12.834 1.00 0.00 H new ATOM 369 N VAL A 28 2.494 -5.536 10.290 1.00 0.00 N ATOM 370 CA VAL A 28 2.463 -5.151 8.884 1.00 0.00 C ATOM 371 C VAL A 28 3.589 -5.822 8.106 1.00 0.00 C ATOM 372 O VAL A 28 4.554 -5.172 7.706 1.00 0.00 O ATOM 373 CB VAL A 28 2.578 -3.624 8.718 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.570 -3.245 7.245 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.455 -2.921 9.464 1.00 0.00 C ATOM 0 H VAL A 28 3.364 -5.307 10.771 1.00 0.00 H new ATOM 0 HA VAL A 28 1.503 -5.481 8.486 1.00 0.00 H new ATOM 0 HB VAL A 28 3.526 -3.300 9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.652 -2.162 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.413 -3.720 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.639 -3.581 6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.552 -1.843 9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.494 -3.249 9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.513 -3.167 10.524 1.00 0.00 H new ATOM 385 N ASN A 29 3.459 -7.127 7.894 1.00 0.00 N ATOM 386 CA ASN A 29 4.466 -7.888 7.163 1.00 0.00 C ATOM 387 C ASN A 29 3.987 -8.207 5.750 1.00 0.00 C ATOM 388 O ASN A 29 3.348 -9.234 5.517 1.00 0.00 O ATOM 389 CB ASN A 29 4.796 -9.184 7.907 1.00 0.00 C ATOM 390 CG ASN A 29 5.759 -10.064 7.135 1.00 0.00 C ATOM 391 OD1 ASN A 29 5.971 -9.871 5.938 1.00 0.00 O ATOM 392 ND2 ASN A 29 6.348 -11.039 7.819 1.00 0.00 N ATOM 0 H ASN A 29 2.666 -7.680 8.218 1.00 0.00 H new ATOM 0 HA ASN A 29 5.367 -7.278 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.228 -8.942 8.878 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.875 -9.736 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.006 -11.664 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.143 -11.163 8.810 1.00 0.00 H new ATOM 399 N VAL A 30 4.301 -7.321 4.810 1.00 0.00 N ATOM 400 CA VAL A 30 3.905 -7.509 3.420 1.00 0.00 C ATOM 401 C VAL A 30 4.555 -8.754 2.826 1.00 0.00 C ATOM 402 O VAL A 30 5.748 -8.759 2.520 1.00 0.00 O ATOM 403 CB VAL A 30 4.280 -6.288 2.560 1.00 0.00 C ATOM 404 CG1 VAL A 30 4.115 -6.605 1.081 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.438 -5.082 2.952 1.00 0.00 C ATOM 0 H VAL A 30 4.829 -6.466 4.986 1.00 0.00 H new ATOM 0 HA VAL A 30 2.822 -7.630 3.413 1.00 0.00 H new ATOM 0 HB VAL A 30 5.327 -6.046 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.385 -5.730 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.764 -7.439 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.078 -6.874 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.716 -4.228 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.383 -5.311 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.611 -4.843 4.001 1.00 0.00 H new ATOM 415 N THR A 31 3.763 -9.809 2.666 1.00 0.00 N ATOM 416 CA THR A 31 4.261 -11.061 2.110 1.00 0.00 C ATOM 417 C THR A 31 3.763 -11.265 0.683 1.00 0.00 C ATOM 418 O THR A 31 4.488 -11.778 -0.170 1.00 0.00 O ATOM 419 CB THR A 31 3.834 -12.267 2.968 1.00 0.00 C ATOM 420 OG1 THR A 31 2.438 -12.179 3.275 1.00 0.00 O ATOM 421 CG2 THR A 31 4.639 -12.326 4.257 1.00 0.00 C ATOM 0 H THR A 31 2.774 -9.822 2.914 1.00 0.00 H new ATOM 0 HA THR A 31 5.349 -10.995 2.107 1.00 0.00 H new ATOM 0 HB THR A 31 4.024 -13.176 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.173 -12.950 3.819 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.320 -13.186 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.699 -12.422 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.476 -11.413 4.830 1.00 0.00 H new ATOM 429 N ASP A 32 2.523 -10.861 0.431 1.00 0.00 N ATOM 430 CA ASP A 32 1.929 -10.998 -0.894 1.00 0.00 C ATOM 431 C ASP A 32 1.595 -9.632 -1.484 1.00 0.00 C ATOM 432 O ASP A 32 1.912 -8.596 -0.897 1.00 0.00 O ATOM 433 CB ASP A 32 0.667 -11.859 -0.823 1.00 0.00 C ATOM 434 CG ASP A 32 0.395 -12.596 -2.120 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.370 -13.013 -2.781 1.00 0.00 O ATOM 436 OD2 ASP A 32 -0.792 -12.756 -2.475 1.00 0.00 O ATOM 0 H ASP A 32 1.910 -10.436 1.126 1.00 0.00 H new ATOM 0 HA ASP A 32 2.657 -11.485 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.768 -12.581 -0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.188 -11.227 -0.582 1.00 0.00 H new ATOM 441 N LEU A 33 0.954 -9.636 -2.647 1.00 0.00 N ATOM 442 CA LEU A 33 0.578 -8.397 -3.318 1.00 0.00 C ATOM 443 C LEU A 33 -0.930 -8.336 -3.545 1.00 0.00 C ATOM 444 O LEU A 33 -1.411 -7.587 -4.396 1.00 0.00 O ATOM 445 CB LEU A 33 1.312 -8.274 -4.655 1.00 0.00 C ATOM 446 CG LEU A 33 2.785 -7.872 -4.577 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.466 -8.079 -5.921 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.920 -6.425 -4.125 1.00 0.00 C ATOM 0 H LEU A 33 0.684 -10.484 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 33 0.864 -7.564 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.244 -9.230 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.788 -7.541 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 33 3.277 -8.508 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.514 -7.788 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.401 -9.130 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.972 -7.468 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.975 -6.156 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.413 -5.773 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.469 -6.308 -3.140 1.00 0.00 H new ATOM 460 N THR A 34 -1.671 -9.129 -2.777 1.00 0.00 N ATOM 461 CA THR A 34 -3.123 -9.165 -2.893 1.00 0.00 C ATOM 462 C THR A 34 -3.788 -9.022 -1.529 1.00 0.00 C ATOM 463 O THR A 34 -4.361 -7.980 -1.214 1.00 0.00 O ATOM 464 CB THR A 34 -3.602 -10.474 -3.550 1.00 0.00 C ATOM 465 OG1 THR A 34 -3.171 -11.597 -2.774 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.065 -10.595 -4.968 1.00 0.00 C ATOM 0 H THR A 34 -1.289 -9.755 -2.068 1.00 0.00 H new ATOM 0 HA THR A 34 -3.410 -8.324 -3.524 1.00 0.00 H new ATOM 0 HB THR A 34 -4.691 -10.458 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.211 -11.740 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.416 -11.527 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.418 -9.753 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.975 -10.592 -4.946 1.00 0.00 H new ATOM 474 N MET A 35 -3.706 -10.075 -0.723 1.00 0.00 N ATOM 475 CA MET A 35 -4.299 -10.065 0.610 1.00 0.00 C ATOM 476 C MET A 35 -3.533 -9.128 1.538 1.00 0.00 C ATOM 477 O MET A 35 -4.128 -8.430 2.359 1.00 0.00 O ATOM 478 CB MET A 35 -4.317 -11.479 1.194 1.00 0.00 C ATOM 479 CG MET A 35 -5.249 -12.429 0.460 1.00 0.00 C ATOM 480 SD MET A 35 -5.276 -14.077 1.189 1.00 0.00 S ATOM 481 CE MET A 35 -6.031 -13.733 2.776 1.00 0.00 C ATOM 0 H MET A 35 -3.235 -10.946 -0.969 1.00 0.00 H new ATOM 0 HA MET A 35 -5.324 -9.703 0.523 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.306 -11.885 1.171 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.616 -11.427 2.241 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.258 -12.017 0.465 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.939 -12.502 -0.583 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.423 -14.657 3.200 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.285 -13.312 3.450 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.845 -13.020 2.645 1.00 0.00 H new ATOM 491 N SER A 36 -2.211 -9.119 1.403 1.00 0.00 N ATOM 492 CA SER A 36 -1.364 -8.270 2.233 1.00 0.00 C ATOM 493 C SER A 36 -1.949 -6.866 2.349 1.00 0.00 C ATOM 494 O SER A 36 -1.844 -6.222 3.393 1.00 0.00 O ATOM 495 CB SER A 36 0.049 -8.199 1.651 1.00 0.00 C ATOM 496 OG SER A 36 0.796 -7.154 2.250 1.00 0.00 O ATOM 0 H SER A 36 -1.703 -9.690 0.727 1.00 0.00 H new ATOM 0 HA SER A 36 -1.318 -8.709 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.558 -9.150 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.006 -8.040 0.574 1.00 0.00 H new ATOM 0 HG SER A 36 0.939 -6.438 1.596 1.00 0.00 H new ATOM 502 N TRP A 37 -2.565 -6.398 1.270 1.00 0.00 N ATOM 503 CA TRP A 37 -3.168 -5.070 1.250 1.00 0.00 C ATOM 504 C TRP A 37 -4.645 -5.136 1.620 1.00 0.00 C ATOM 505 O TRP A 37 -5.184 -4.215 2.233 1.00 0.00 O ATOM 506 CB TRP A 37 -3.003 -4.434 -0.132 1.00 0.00 C ATOM 507 CG TRP A 37 -1.587 -4.434 -0.621 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.930 -5.466 -1.229 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.652 -3.352 -0.542 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.357 -5.090 -1.533 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.552 -3.798 -1.122 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.715 -2.050 -0.039 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.680 -2.987 -1.211 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.405 -1.247 -0.128 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.590 -1.717 -0.710 1.00 0.00 C ATOM 0 H TRP A 37 -2.660 -6.918 0.398 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.656 -4.455 1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.627 -4.970 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.368 -3.407 -0.097 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.359 -6.435 -1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.054 -5.678 -1.990 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.623 -1.678 0.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.594 -3.348 -1.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.367 -0.239 0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.449 -1.064 -0.764 1.00 0.00 H new ATOM 526 N LYS A 38 -5.296 -6.232 1.243 1.00 0.00 N ATOM 527 CA LYS A 38 -6.712 -6.420 1.537 1.00 0.00 C ATOM 528 C LYS A 38 -7.051 -5.909 2.933 1.00 0.00 C ATOM 529 O LYS A 38 -8.118 -5.335 3.153 1.00 0.00 O ATOM 530 CB LYS A 38 -7.086 -7.900 1.420 1.00 0.00 C ATOM 531 CG LYS A 38 -7.386 -8.340 -0.003 1.00 0.00 C ATOM 532 CD LYS A 38 -8.114 -9.674 -0.031 1.00 0.00 C ATOM 533 CE LYS A 38 -9.623 -9.486 0.012 1.00 0.00 C ATOM 534 NZ LYS A 38 -10.139 -9.465 1.408 1.00 0.00 N ATOM 0 H LYS A 38 -4.865 -7.003 0.733 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.287 -5.847 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.269 -8.505 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.958 -8.096 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.993 -7.583 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.455 -8.420 -0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.840 -10.221 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.797 -10.280 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.887 -8.554 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.105 -10.292 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.137 -9.758 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.583 -10.120 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.058 -8.502 1.793 1.00 0.00 H new ATOM 548 N SER A 39 -6.135 -6.119 3.874 1.00 0.00 N ATOM 549 CA SER A 39 -6.339 -5.681 5.250 1.00 0.00 C ATOM 550 C SER A 39 -6.511 -4.166 5.318 1.00 0.00 C ATOM 551 O SER A 39 -7.534 -3.667 5.785 1.00 0.00 O ATOM 552 CB SER A 39 -5.159 -6.111 6.124 1.00 0.00 C ATOM 553 OG SER A 39 -5.408 -5.830 7.491 1.00 0.00 O ATOM 0 H SER A 39 -5.245 -6.589 3.708 1.00 0.00 H new ATOM 0 HA SER A 39 -7.249 -6.150 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.977 -7.178 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.256 -5.593 5.802 1.00 0.00 H new ATOM 0 HG SER A 39 -4.640 -6.116 8.029 1.00 0.00 H new ATOM 559 N GLY A 40 -5.502 -3.440 4.847 1.00 0.00 N ATOM 560 CA GLY A 40 -5.560 -1.990 4.863 1.00 0.00 C ATOM 561 C GLY A 40 -4.371 -1.370 5.570 1.00 0.00 C ATOM 562 O GLY A 40 -3.879 -0.316 5.165 1.00 0.00 O ATOM 0 H GLY A 40 -4.645 -3.830 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.603 -1.620 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.479 -1.672 5.356 1.00 0.00 H new ATOM 566 N LEU A 41 -3.908 -2.024 6.630 1.00 0.00 N ATOM 567 CA LEU A 41 -2.769 -1.529 7.396 1.00 0.00 C ATOM 568 C LEU A 41 -1.625 -1.124 6.472 1.00 0.00 C ATOM 569 O LEU A 41 -1.266 0.051 6.391 1.00 0.00 O ATOM 570 CB LEU A 41 -2.290 -2.597 8.381 1.00 0.00 C ATOM 571 CG LEU A 41 -3.271 -2.975 9.491 1.00 0.00 C ATOM 572 CD1 LEU A 41 -2.757 -4.174 10.273 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.509 -1.792 10.419 1.00 0.00 C ATOM 0 H LEU A 41 -4.303 -2.897 6.978 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.091 -0.648 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.045 -3.498 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.366 -2.248 8.843 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.221 -3.247 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.469 -4.428 11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.640 -5.024 9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.794 -3.930 10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.210 -2.080 11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.565 -1.488 10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.923 -0.960 9.849 1.00 0.00 H new ATOM 585 N ALA A 42 -1.058 -2.103 5.776 1.00 0.00 N ATOM 586 CA ALA A 42 0.041 -1.848 4.854 1.00 0.00 C ATOM 587 C ALA A 42 -0.157 -0.529 4.114 1.00 0.00 C ATOM 588 O ALA A 42 0.567 0.440 4.345 1.00 0.00 O ATOM 589 CB ALA A 42 0.178 -2.995 3.864 1.00 0.00 C ATOM 0 H ALA A 42 -1.342 -3.081 5.833 1.00 0.00 H new ATOM 0 HA ALA A 42 0.960 -1.774 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.003 -2.790 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.375 -3.921 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.746 -3.097 3.295 1.00 0.00 H new ATOM 595 N LEU A 43 -1.143 -0.499 3.223 1.00 0.00 N ATOM 596 CA LEU A 43 -1.437 0.702 2.448 1.00 0.00 C ATOM 597 C LEU A 43 -1.318 1.952 3.314 1.00 0.00 C ATOM 598 O LEU A 43 -0.752 2.960 2.892 1.00 0.00 O ATOM 599 CB LEU A 43 -2.841 0.614 1.849 1.00 0.00 C ATOM 600 CG LEU A 43 -3.179 1.652 0.777 1.00 0.00 C ATOM 601 CD1 LEU A 43 -2.040 1.778 -0.222 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.475 1.283 0.068 1.00 0.00 C ATOM 0 H LEU A 43 -1.752 -1.292 3.020 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.708 0.772 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.969 -0.379 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.566 0.707 2.658 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.316 2.618 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.299 2.521 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.133 2.089 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.870 0.815 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.700 2.032 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.366 0.308 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.288 1.245 0.793 1.00 0.00 H new ATOM 614 N CYS A 44 -1.853 1.877 4.528 1.00 0.00 N ATOM 615 CA CYS A 44 -1.806 3.002 5.455 1.00 0.00 C ATOM 616 C CYS A 44 -0.375 3.278 5.903 1.00 0.00 C ATOM 617 O CYS A 44 0.037 4.431 6.025 1.00 0.00 O ATOM 618 CB CYS A 44 -2.690 2.725 6.672 1.00 0.00 C ATOM 619 SG CYS A 44 -4.435 2.469 6.273 1.00 0.00 S ATOM 0 H CYS A 44 -2.324 1.049 4.893 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.181 3.884 4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.313 1.842 7.188 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.606 3.561 7.367 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.593 1.286 5.758 1.00 0.00 H new ATOM 625 N ALA A 45 0.379 2.211 6.149 1.00 0.00 N ATOM 626 CA ALA A 45 1.764 2.338 6.584 1.00 0.00 C ATOM 627 C ALA A 45 2.621 2.987 5.502 1.00 0.00 C ATOM 628 O ALA A 45 3.612 3.655 5.800 1.00 0.00 O ATOM 629 CB ALA A 45 2.326 0.975 6.959 1.00 0.00 C ATOM 0 H ALA A 45 0.053 1.249 6.054 1.00 0.00 H new ATOM 0 HA ALA A 45 1.786 2.982 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.361 1.085 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.736 0.549 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.284 0.314 6.094 1.00 0.00 H new ATOM 635 N ILE A 46 2.235 2.785 4.247 1.00 0.00 N ATOM 636 CA ILE A 46 2.969 3.351 3.122 1.00 0.00 C ATOM 637 C ILE A 46 2.911 4.875 3.139 1.00 0.00 C ATOM 638 O ILE A 46 3.943 5.545 3.111 1.00 0.00 O ATOM 639 CB ILE A 46 2.417 2.842 1.777 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.496 1.315 1.714 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.184 3.466 0.620 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.880 0.794 1.400 1.00 0.00 C ATOM 0 H ILE A 46 1.418 2.234 3.984 1.00 0.00 H new ATOM 0 HA ILE A 46 4.005 3.028 3.226 1.00 0.00 H new ATOM 0 HB ILE A 46 1.371 3.137 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.169 0.903 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.800 0.954 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.783 3.097 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.082 4.551 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.238 3.198 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.861 -0.295 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.202 1.177 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.577 1.124 2.170 1.00 0.00 H new ATOM 654 N ILE A 47 1.698 5.415 3.186 1.00 0.00 N ATOM 655 CA ILE A 47 1.506 6.859 3.210 1.00 0.00 C ATOM 656 C ILE A 47 2.131 7.477 4.456 1.00 0.00 C ATOM 657 O ILE A 47 2.835 8.484 4.377 1.00 0.00 O ATOM 658 CB ILE A 47 0.012 7.230 3.162 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.617 6.734 1.858 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.166 8.734 3.303 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.106 6.486 1.961 1.00 0.00 C ATOM 0 H ILE A 47 0.834 4.874 3.208 1.00 0.00 H new ATOM 0 HA ILE A 47 2.000 7.257 2.323 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.494 6.744 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.433 7.468 1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.123 5.811 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.227 8.980 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.250 9.062 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.351 9.240 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.484 6.137 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.297 5.730 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.611 7.412 2.234 1.00 0.00 H new ATOM 673 N HIS A 48 1.872 6.865 5.607 1.00 0.00 N ATOM 674 CA HIS A 48 2.411 7.353 6.871 1.00 0.00 C ATOM 675 C HIS A 48 3.932 7.232 6.895 1.00 0.00 C ATOM 676 O HIS A 48 4.628 8.127 7.376 1.00 0.00 O ATOM 677 CB HIS A 48 1.808 6.576 8.041 1.00 0.00 C ATOM 678 CG HIS A 48 2.310 7.023 9.380 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.644 7.005 9.727 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.648 7.504 10.458 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.781 7.454 10.962 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.585 7.763 11.428 1.00 0.00 N ATOM 0 H HIS A 48 1.292 6.030 5.690 1.00 0.00 H new ATOM 0 HA HIS A 48 2.146 8.406 6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.723 6.681 8.015 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.029 5.516 7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.582 7.656 10.540 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.713 7.552 11.499 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.389 8.134 12.358 1.00 0.00 H new ATOM 691 N ARG A 49 4.441 6.121 6.375 1.00 0.00 N ATOM 692 CA ARG A 49 5.879 5.883 6.338 1.00 0.00 C ATOM 693 C ARG A 49 6.634 7.163 5.995 1.00 0.00 C ATOM 694 O ARG A 49 7.664 7.469 6.595 1.00 0.00 O ATOM 695 CB ARG A 49 6.211 4.793 5.318 1.00 0.00 C ATOM 696 CG ARG A 49 7.702 4.622 5.073 1.00 0.00 C ATOM 697 CD ARG A 49 8.354 3.789 6.165 1.00 0.00 C ATOM 698 NE ARG A 49 9.798 3.674 5.976 1.00 0.00 N ATOM 699 CZ ARG A 49 10.662 4.625 6.312 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.230 5.757 6.851 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.961 4.445 6.108 1.00 0.00 N ATOM 0 H ARG A 49 3.879 5.371 5.973 1.00 0.00 H new ATOM 0 HA ARG A 49 6.192 5.552 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.797 3.846 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.721 5.029 4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.861 4.144 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.179 5.601 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.150 4.240 7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.909 2.794 6.176 1.00 0.00 H new ATOM 0 HE ARG A 49 10.163 2.816 5.563 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.232 5.899 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.895 6.486 7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.296 3.576 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.624 5.176 6.366 1.00 0.00 H new ATOM 715 N TYR A 50 6.113 7.908 5.026 1.00 0.00 N ATOM 716 CA TYR A 50 6.739 9.154 4.600 1.00 0.00 C ATOM 717 C TYR A 50 5.996 10.359 5.169 1.00 0.00 C ATOM 718 O TYR A 50 6.602 11.254 5.759 1.00 0.00 O ATOM 719 CB TYR A 50 6.773 9.237 3.073 1.00 0.00 C ATOM 720 CG TYR A 50 7.757 8.281 2.437 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.577 6.906 2.530 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.865 8.751 1.744 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.473 6.028 1.951 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.765 7.881 1.161 1.00 0.00 C ATOM 725 CZ TYR A 50 9.565 6.520 1.267 1.00 0.00 C ATOM 726 OH TYR A 50 10.461 5.650 0.688 1.00 0.00 O ATOM 0 H TYR A 50 5.259 7.671 4.521 1.00 0.00 H new ATOM 0 HA TYR A 50 7.760 9.166 4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.776 9.031 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.026 10.255 2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.722 6.517 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.026 9.816 1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.319 4.962 2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.621 8.264 0.625 1.00 0.00 H new ATOM 0 HH TYR A 50 11.171 6.159 0.244 1.00 0.00 H new ATOM 736 N ARG A 51 4.680 10.374 4.988 1.00 0.00 N ATOM 737 CA ARG A 51 3.853 11.469 5.482 1.00 0.00 C ATOM 738 C ARG A 51 2.801 10.956 6.462 1.00 0.00 C ATOM 739 O ARG A 51 1.728 10.494 6.073 1.00 0.00 O ATOM 740 CB ARG A 51 3.172 12.188 4.317 1.00 0.00 C ATOM 741 CG ARG A 51 4.140 12.666 3.247 1.00 0.00 C ATOM 742 CD ARG A 51 4.700 14.041 3.577 1.00 0.00 C ATOM 743 NE ARG A 51 5.303 14.680 2.410 1.00 0.00 N ATOM 744 CZ ARG A 51 6.480 14.329 1.905 1.00 0.00 C ATOM 745 NH1 ARG A 51 7.177 13.348 2.461 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.962 14.959 0.842 1.00 0.00 N ATOM 0 H ARG A 51 4.163 9.641 4.503 1.00 0.00 H new ATOM 0 HA ARG A 51 4.500 12.173 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.444 11.516 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.619 13.044 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.958 11.952 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.631 12.701 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.902 14.674 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.446 13.949 4.366 1.00 0.00 H new ATOM 0 HE ARG A 51 4.792 15.438 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.809 12.861 3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.081 13.080 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.429 15.714 0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.866 14.688 0.455 1.00 0.00 H new ATOM 760 N PRO A 52 3.115 11.037 7.763 1.00 0.00 N ATOM 761 CA PRO A 52 2.211 10.587 8.825 1.00 0.00 C ATOM 762 C PRO A 52 0.986 11.484 8.964 1.00 0.00 C ATOM 763 O PRO A 52 -0.077 11.038 9.395 1.00 0.00 O ATOM 764 CB PRO A 52 3.076 10.665 10.085 1.00 0.00 C ATOM 765 CG PRO A 52 4.107 11.694 9.773 1.00 0.00 C ATOM 766 CD PRO A 52 4.377 11.577 8.298 1.00 0.00 C ATOM 0 HA PRO A 52 1.813 9.592 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.484 10.949 10.955 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.534 9.702 10.311 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.751 12.692 10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.016 11.524 10.351 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.620 12.543 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.217 10.913 8.094 1.00 0.00 H new ATOM 774 N ASP A 53 1.142 12.751 8.595 1.00 0.00 N ATOM 775 CA ASP A 53 0.048 13.711 8.676 1.00 0.00 C ATOM 776 C ASP A 53 -1.131 13.267 7.816 1.00 0.00 C ATOM 777 O ASP A 53 -2.256 13.140 8.302 1.00 0.00 O ATOM 778 CB ASP A 53 0.523 15.097 8.235 1.00 0.00 C ATOM 779 CG ASP A 53 -0.610 15.958 7.712 1.00 0.00 C ATOM 780 OD1 ASP A 53 -0.960 15.818 6.521 1.00 0.00 O ATOM 781 OD2 ASP A 53 -1.146 16.771 8.492 1.00 0.00 O ATOM 0 H ASP A 53 2.016 13.137 8.237 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.281 13.761 9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.999 15.600 9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.281 14.988 7.459 1.00 0.00 H new ATOM 786 N LEU A 54 -0.866 13.031 6.535 1.00 0.00 N ATOM 787 CA LEU A 54 -1.905 12.602 5.606 1.00 0.00 C ATOM 788 C LEU A 54 -2.786 11.525 6.233 1.00 0.00 C ATOM 789 O LEU A 54 -3.986 11.723 6.420 1.00 0.00 O ATOM 790 CB LEU A 54 -1.276 12.074 4.315 1.00 0.00 C ATOM 791 CG LEU A 54 -0.192 12.952 3.689 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.360 12.303 2.429 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.740 14.338 3.381 1.00 0.00 C ATOM 0 H LEU A 54 0.059 13.130 6.117 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.528 13.465 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.848 11.092 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.068 11.931 3.580 1.00 0.00 H new ATOM 0 HG LEU A 54 0.623 13.056 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.130 12.943 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.791 11.333 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.445 12.167 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.045 14.949 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.573 14.253 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.085 14.806 4.303 1.00 0.00 H new ATOM 805 N ILE A 55 -2.180 10.387 6.556 1.00 0.00 N ATOM 806 CA ILE A 55 -2.909 9.281 7.165 1.00 0.00 C ATOM 807 C ILE A 55 -2.414 9.011 8.582 1.00 0.00 C ATOM 808 O ILE A 55 -1.210 8.923 8.823 1.00 0.00 O ATOM 809 CB ILE A 55 -2.775 7.993 6.332 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.943 7.048 6.623 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.448 7.309 6.624 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.203 6.050 5.516 1.00 0.00 C ATOM 0 H ILE A 55 -1.187 10.207 6.406 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.958 9.574 7.199 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.800 8.257 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.741 6.508 7.548 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.845 7.638 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.368 6.400 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.629 7.982 6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.395 7.054 7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.044 5.413 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.437 6.582 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.316 5.435 5.365 1.00 0.00 H new ATOM 824 N ASP A 56 -3.350 8.878 9.514 1.00 0.00 N ATOM 825 CA ASP A 56 -3.010 8.615 10.908 1.00 0.00 C ATOM 826 C ASP A 56 -3.156 7.131 11.231 1.00 0.00 C ATOM 827 O ASP A 56 -4.228 6.674 11.626 1.00 0.00 O ATOM 828 CB ASP A 56 -3.899 9.442 11.837 1.00 0.00 C ATOM 829 CG ASP A 56 -3.211 9.782 13.145 1.00 0.00 C ATOM 830 OD1 ASP A 56 -3.089 8.883 14.002 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.795 10.948 13.311 1.00 0.00 O ATOM 0 H ASP A 56 -4.351 8.948 9.330 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.970 8.902 11.064 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.189 10.363 11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.816 8.890 12.045 1.00 0.00 H new ATOM 836 N PHE A 57 -2.070 6.384 11.061 1.00 0.00 N ATOM 837 CA PHE A 57 -2.077 4.951 11.332 1.00 0.00 C ATOM 838 C PHE A 57 -2.281 4.681 12.820 1.00 0.00 C ATOM 839 O PHE A 57 -2.857 3.663 13.204 1.00 0.00 O ATOM 840 CB PHE A 57 -0.769 4.315 10.861 1.00 0.00 C ATOM 841 CG PHE A 57 -0.788 2.813 10.890 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.736 2.129 12.094 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.859 2.085 9.713 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.753 0.747 12.122 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.876 0.703 9.735 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.825 0.034 10.942 1.00 0.00 C ATOM 0 H PHE A 57 -1.174 6.747 10.737 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.907 4.506 10.783 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.558 4.648 9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.047 4.672 11.490 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.682 2.681 13.020 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.902 2.604 8.767 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.710 0.225 13.067 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.929 0.148 8.810 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.841 -1.046 10.963 1.00 0.00 H new ATOM 856 N ASP A 58 -1.803 5.600 13.653 1.00 0.00 N ATOM 857 CA ASP A 58 -1.933 5.462 15.099 1.00 0.00 C ATOM 858 C ASP A 58 -3.399 5.367 15.507 1.00 0.00 C ATOM 859 O ASP A 58 -3.755 4.605 16.406 1.00 0.00 O ATOM 860 CB ASP A 58 -1.270 6.645 15.806 1.00 0.00 C ATOM 861 CG ASP A 58 0.224 6.452 15.981 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.866 5.922 15.050 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.751 6.831 17.048 1.00 0.00 O ATOM 0 H ASP A 58 -1.322 6.448 13.352 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.432 4.541 15.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.451 7.555 15.233 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.732 6.786 16.783 1.00 0.00 H new ATOM 868 N SER A 59 -4.246 6.145 14.841 1.00 0.00 N ATOM 869 CA SER A 59 -5.673 6.152 15.137 1.00 0.00 C ATOM 870 C SER A 59 -6.345 4.889 14.605 1.00 0.00 C ATOM 871 O SER A 59 -7.158 4.268 15.291 1.00 0.00 O ATOM 872 CB SER A 59 -6.336 7.390 14.530 1.00 0.00 C ATOM 873 OG SER A 59 -7.748 7.313 14.629 1.00 0.00 O ATOM 0 H SER A 59 -3.968 6.779 14.092 1.00 0.00 H new ATOM 0 HA SER A 59 -5.794 6.178 16.220 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.981 8.284 15.042 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.046 7.485 13.484 1.00 0.00 H new ATOM 0 HG SER A 59 -8.148 8.117 14.235 1.00 0.00 H new ATOM 879 N LEU A 60 -5.999 4.515 13.379 1.00 0.00 N ATOM 880 CA LEU A 60 -6.567 3.326 12.753 1.00 0.00 C ATOM 881 C LEU A 60 -6.389 2.103 13.646 1.00 0.00 C ATOM 882 O LEU A 60 -5.629 2.134 14.614 1.00 0.00 O ATOM 883 CB LEU A 60 -5.911 3.078 11.393 1.00 0.00 C ATOM 884 CG LEU A 60 -6.181 4.129 10.316 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.293 3.893 9.105 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.649 4.116 9.914 1.00 0.00 C ATOM 0 H LEU A 60 -5.328 5.018 12.798 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.634 3.496 12.609 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.833 3.006 11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.248 2.110 11.021 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.946 5.111 10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.499 4.651 8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.247 3.954 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.495 2.905 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.823 4.870 9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.910 3.133 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.267 4.335 10.785 1.00 0.00 H new ATOM 898 N ASP A 61 -7.094 1.027 13.314 1.00 0.00 N ATOM 899 CA ASP A 61 -7.012 -0.209 14.084 1.00 0.00 C ATOM 900 C ASP A 61 -6.834 -1.412 13.164 1.00 0.00 C ATOM 901 O ASP A 61 -7.436 -1.480 12.093 1.00 0.00 O ATOM 902 CB ASP A 61 -8.267 -0.386 14.940 1.00 0.00 C ATOM 903 CG ASP A 61 -8.085 -1.427 16.026 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.013 -1.436 16.667 1.00 0.00 O ATOM 905 OD2 ASP A 61 -9.016 -2.233 16.237 1.00 0.00 O ATOM 0 H ASP A 61 -7.729 0.986 12.517 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.142 -0.144 14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.530 0.568 15.396 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.102 -0.674 14.301 1.00 0.00 H new ATOM 910 N GLU A 62 -6.004 -2.359 13.589 1.00 0.00 N ATOM 911 CA GLU A 62 -5.746 -3.559 12.802 1.00 0.00 C ATOM 912 C GLU A 62 -7.050 -4.270 12.452 1.00 0.00 C ATOM 913 O GLU A 62 -7.245 -4.706 11.318 1.00 0.00 O ATOM 914 CB GLU A 62 -4.822 -4.509 13.566 1.00 0.00 C ATOM 915 CG GLU A 62 -5.375 -4.941 14.914 1.00 0.00 C ATOM 916 CD GLU A 62 -4.307 -5.514 15.826 1.00 0.00 C ATOM 917 OE1 GLU A 62 -3.714 -6.553 15.465 1.00 0.00 O ATOM 918 OE2 GLU A 62 -4.063 -4.924 16.899 1.00 0.00 O ATOM 0 H GLU A 62 -5.499 -2.318 14.474 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.257 -3.257 11.876 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.640 -5.394 12.957 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.858 -4.022 13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.843 -4.086 15.401 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.155 -5.687 14.761 1.00 0.00 H new ATOM 925 N GLN A 63 -7.937 -4.385 13.435 1.00 0.00 N ATOM 926 CA GLN A 63 -9.221 -5.044 13.232 1.00 0.00 C ATOM 927 C GLN A 63 -9.993 -4.393 12.089 1.00 0.00 C ATOM 928 O GLN A 63 -10.574 -5.079 11.250 1.00 0.00 O ATOM 929 CB GLN A 63 -10.051 -4.997 14.516 1.00 0.00 C ATOM 930 CG GLN A 63 -9.427 -5.761 15.672 1.00 0.00 C ATOM 931 CD GLN A 63 -9.573 -7.263 15.525 1.00 0.00 C ATOM 932 OE1 GLN A 63 -10.142 -7.751 14.549 1.00 0.00 O ATOM 933 NE2 GLN A 63 -9.056 -8.006 16.497 1.00 0.00 N ATOM 0 H GLN A 63 -7.790 -4.030 14.380 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.029 -6.084 12.970 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.189 -3.957 14.811 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.041 -5.405 14.314 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.369 -5.508 15.741 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.892 -5.444 16.605 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.593 -7.560 17.288 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.122 -9.023 16.452 1.00 0.00 H new ATOM 942 N ASN A 64 -9.993 -3.064 12.063 1.00 0.00 N ATOM 943 CA ASN A 64 -10.694 -2.320 11.023 1.00 0.00 C ATOM 944 C ASN A 64 -10.078 -2.587 9.653 1.00 0.00 C ATOM 945 O ASN A 64 -8.947 -2.186 9.381 1.00 0.00 O ATOM 946 CB ASN A 64 -10.659 -0.821 11.327 1.00 0.00 C ATOM 947 CG ASN A 64 -11.141 -0.504 12.730 1.00 0.00 C ATOM 948 OD1 ASN A 64 -11.704 -1.360 13.413 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.923 0.731 13.165 1.00 0.00 N ATOM 0 H ASN A 64 -9.516 -2.481 12.750 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.731 -2.657 11.007 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.641 -0.452 11.203 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.280 -0.292 10.604 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.226 1.003 14.100 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.452 1.408 12.564 1.00 0.00 H new ATOM 956 N VAL A 65 -10.831 -3.268 8.795 1.00 0.00 N ATOM 957 CA VAL A 65 -10.360 -3.588 7.452 1.00 0.00 C ATOM 958 C VAL A 65 -10.965 -2.645 6.419 1.00 0.00 C ATOM 959 O VAL A 65 -10.254 -1.865 5.785 1.00 0.00 O ATOM 960 CB VAL A 65 -10.702 -5.040 7.069 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.175 -5.363 5.679 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.142 -6.009 8.099 1.00 0.00 C ATOM 0 H VAL A 65 -11.769 -3.609 9.006 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.277 -3.468 7.459 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.787 -5.148 7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.426 -6.393 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.629 -4.689 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.092 -5.239 5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.393 -7.030 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.058 -5.902 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.573 -5.790 9.076 1.00 0.00 H new ATOM 972 N GLU A 66 -12.282 -2.722 6.254 1.00 0.00 N ATOM 973 CA GLU A 66 -12.982 -1.874 5.296 1.00 0.00 C ATOM 974 C GLU A 66 -12.626 -0.406 5.507 1.00 0.00 C ATOM 975 O GLU A 66 -12.664 0.395 4.573 1.00 0.00 O ATOM 976 CB GLU A 66 -14.494 -2.067 5.421 1.00 0.00 C ATOM 977 CG GLU A 66 -15.304 -1.068 4.612 1.00 0.00 C ATOM 978 CD GLU A 66 -16.725 -0.919 5.122 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.299 -1.927 5.583 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.261 0.207 5.060 1.00 0.00 O ATOM 0 H GLU A 66 -12.885 -3.362 6.771 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.667 -2.165 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.751 -3.076 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.777 -1.986 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.809 -0.097 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.328 -1.385 3.569 1.00 0.00 H new ATOM 987 N LYS A 67 -12.280 -0.059 6.742 1.00 0.00 N ATOM 988 CA LYS A 67 -11.917 1.313 7.079 1.00 0.00 C ATOM 989 C LYS A 67 -10.507 1.637 6.593 1.00 0.00 C ATOM 990 O LYS A 67 -10.325 2.445 5.684 1.00 0.00 O ATOM 991 CB LYS A 67 -12.009 1.530 8.591 1.00 0.00 C ATOM 992 CG LYS A 67 -12.365 2.955 8.980 1.00 0.00 C ATOM 993 CD LYS A 67 -13.210 2.994 10.242 1.00 0.00 C ATOM 994 CE LYS A 67 -14.696 2.962 9.920 1.00 0.00 C ATOM 995 NZ LYS A 67 -15.501 2.450 11.063 1.00 0.00 N ATOM 0 H LYS A 67 -12.243 -0.709 7.527 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.618 1.982 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.757 0.852 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.055 1.265 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.452 3.530 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.907 3.431 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.956 2.145 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.979 3.896 10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.033 3.965 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.865 2.332 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.508 2.444 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.198 1.483 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.360 3.065 11.890 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.514 0.999 7.205 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.121 1.220 6.834 1.00 0.00 C ATOM 1011 C ASN A 68 -7.989 1.454 5.333 1.00 0.00 C ATOM 1012 O ASN A 68 -7.123 2.205 4.885 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.265 0.023 7.252 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.706 0.173 8.654 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.520 0.452 8.834 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.559 -0.012 9.654 1.00 0.00 N ATOM 0 H ASN A 68 -9.648 0.326 7.959 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.769 2.110 7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.865 -0.886 7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.443 -0.096 6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.240 0.076 10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.533 -0.242 9.457 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.855 0.807 4.559 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.835 0.945 3.108 1.00 0.00 C ATOM 1025 C ASN A 69 -9.602 2.189 2.669 1.00 0.00 C ATOM 1026 O ASN A 69 -9.039 3.088 2.045 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.436 -0.298 2.448 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.630 -1.550 2.732 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.423 -1.593 2.492 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.295 -2.579 3.245 1.00 0.00 N ATOM 0 H ASN A 69 -9.579 0.182 4.913 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.797 1.050 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.457 -0.438 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.493 -0.142 1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.805 -3.449 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.295 -2.500 3.428 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.888 2.231 3.000 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.732 3.365 2.640 1.00 0.00 C ATOM 1039 C GLN A 70 -11.015 4.684 2.907 1.00 0.00 C ATOM 1040 O GLN A 70 -11.118 5.628 2.123 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.046 3.318 3.421 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.082 4.316 2.930 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.668 3.935 1.585 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.662 3.212 1.510 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -14.053 4.421 0.513 1.00 0.00 N ATOM 0 H GLN A 70 -11.368 1.494 3.516 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.949 3.300 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.462 2.313 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.840 3.509 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.885 4.391 3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.624 5.302 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.232 5.016 0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.402 4.199 -0.419 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.289 4.742 4.018 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.554 5.947 4.389 1.00 0.00 C ATOM 1056 C LEU A 71 -8.486 6.275 3.350 1.00 0.00 C ATOM 1057 O LEU A 71 -8.580 7.278 2.644 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.907 5.770 5.763 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.232 7.009 6.352 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.193 8.188 6.359 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.726 6.724 7.759 1.00 0.00 C ATOM 0 H LEU A 71 -10.193 3.970 4.677 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.261 6.776 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.672 5.431 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.164 4.975 5.693 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.378 7.265 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.695 9.061 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.507 8.408 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.067 7.941 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.249 7.617 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.564 6.441 8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.003 5.909 7.727 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.472 5.420 3.261 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.389 5.617 2.306 1.00 0.00 C ATOM 1075 C ALA A 72 -6.929 6.017 0.938 1.00 0.00 C ATOM 1076 O ALA A 72 -6.590 7.077 0.411 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.548 4.354 2.194 1.00 0.00 C ATOM 0 H ALA A 72 -7.378 4.585 3.839 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.760 6.429 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.743 4.515 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.123 4.112 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.174 3.529 1.856 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.771 5.163 0.366 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.357 5.427 -0.943 1.00 0.00 C ATOM 1085 C PHE A 73 -8.823 6.876 -1.047 1.00 0.00 C ATOM 1086 O PHE A 73 -8.897 7.438 -2.140 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.533 4.482 -1.199 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.113 3.074 -1.512 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.106 2.825 -2.430 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.726 1.999 -0.888 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.718 1.531 -2.720 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.343 0.703 -1.174 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.337 0.468 -2.090 1.00 0.00 C ATOM 0 H PHE A 73 -8.063 4.282 0.789 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.590 5.255 -1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.180 4.473 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.126 4.869 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.618 3.652 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.513 2.177 -0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.932 1.350 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.830 -0.126 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.034 -0.544 -2.314 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.136 7.475 0.097 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.595 8.859 0.135 1.00 0.00 C ATOM 1105 C ASP A 74 -8.427 9.811 0.375 1.00 0.00 C ATOM 1106 O ASP A 74 -8.160 10.698 -0.436 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.649 9.039 1.228 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.557 10.224 0.967 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -12.081 10.333 -0.162 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.745 11.042 1.891 1.00 0.00 O ATOM 0 H ASP A 74 -9.080 7.024 1.010 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.041 9.096 -0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.251 8.133 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.152 9.170 2.189 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.737 9.622 1.495 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.599 10.464 1.841 1.00 0.00 C ATOM 1117 C ILE A 75 -5.615 10.564 0.681 1.00 0.00 C ATOM 1118 O ILE A 75 -5.210 11.658 0.289 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.860 9.929 3.082 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.802 9.889 4.287 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.641 10.789 3.384 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.324 11.250 4.691 1.00 0.00 C ATOM 0 H ILE A 75 -7.946 8.894 2.178 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.996 11.455 2.063 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.522 8.913 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.646 9.239 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.278 9.444 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.129 10.399 4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.962 10.771 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.957 11.815 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.985 11.145 5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.487 11.898 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.876 11.689 3.860 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.236 9.414 0.133 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.303 9.372 -0.986 1.00 0.00 C ATOM 1136 C ALA A 76 -4.683 10.389 -2.057 1.00 0.00 C ATOM 1137 O ALA A 76 -4.012 11.406 -2.224 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.254 7.971 -1.579 1.00 0.00 C ATOM 0 H ALA A 76 -5.561 8.499 0.446 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.313 9.632 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.553 7.954 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.927 7.264 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.246 7.690 -1.932 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.763 10.106 -2.778 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.230 10.996 -3.834 1.00 0.00 C ATOM 1146 C GLU A 77 -6.428 12.413 -3.303 1.00 0.00 C ATOM 1147 O GLU A 77 -6.108 13.392 -3.978 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.541 10.475 -4.429 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.969 11.205 -5.691 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.475 11.228 -5.869 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.076 10.137 -5.964 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -10.051 12.334 -5.915 1.00 0.00 O ATOM 0 H GLU A 77 -6.331 9.268 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.470 11.021 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.432 9.414 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.330 10.564 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.595 12.228 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.512 10.725 -6.557 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.957 12.515 -2.088 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.198 13.810 -1.464 1.00 0.00 C ATOM 1161 C LYS A 78 -5.951 14.687 -1.531 1.00 0.00 C ATOM 1162 O LYS A 78 -6.018 15.845 -1.940 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.626 13.625 -0.007 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.126 13.459 0.170 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.815 14.798 0.372 1.00 0.00 C ATOM 1166 CE LYS A 78 -11.268 14.750 -0.078 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.387 14.630 -1.557 1.00 0.00 N ATOM 0 H LYS A 78 -7.227 11.715 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.999 14.306 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.121 12.750 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.293 14.486 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.544 12.962 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.323 12.814 1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.768 15.078 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.285 15.569 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.767 13.905 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.781 15.652 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.324 14.967 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.649 15.205 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.271 13.635 -1.835 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.816 14.124 -1.129 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.555 14.856 -1.145 1.00 0.00 C ATOM 1183 C GLU A 79 -2.627 14.318 -2.231 1.00 0.00 C ATOM 1184 O GLU A 79 -2.314 15.015 -3.197 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.868 14.763 0.220 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.693 15.342 1.357 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.444 16.823 1.563 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.269 17.241 1.500 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.424 17.565 1.786 1.00 0.00 O ATOM 0 H GLU A 79 -4.744 13.165 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.774 15.901 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.649 13.717 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.913 15.285 0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.751 15.180 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.461 14.807 2.278 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.190 13.075 -2.064 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.298 12.442 -3.029 1.00 0.00 C ATOM 1198 C LEU A 80 -1.805 12.644 -4.454 1.00 0.00 C ATOM 1199 O LEU A 80 -1.049 13.032 -5.343 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.168 10.947 -2.730 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.842 10.579 -1.282 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.801 9.068 -1.112 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.480 11.201 -0.857 1.00 0.00 C ATOM 0 H LEU A 80 -2.439 12.485 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.318 12.911 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.102 10.459 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.390 10.534 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.629 10.976 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.568 8.825 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.771 8.646 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.035 8.649 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.695 10.928 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.278 10.835 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.415 12.286 -0.940 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.091 12.380 -4.662 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.677 12.541 -5.980 1.00 0.00 C ATOM 1217 C GLY A 81 -3.933 11.214 -6.667 1.00 0.00 C ATOM 1218 O GLY A 81 -4.516 11.171 -7.751 1.00 0.00 O ATOM 0 H GLY A 81 -3.737 12.058 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.616 13.088 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.013 13.145 -6.598 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.494 10.129 -6.037 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.678 8.795 -6.595 1.00 0.00 C ATOM 1224 C ILE A 82 -5.125 8.335 -6.455 1.00 0.00 C ATOM 1225 O ILE A 82 -5.559 7.939 -5.373 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.756 7.768 -5.913 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.295 8.211 -6.019 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.944 6.392 -6.536 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.327 7.267 -5.341 1.00 0.00 C ATOM 0 H ILE A 82 -3.009 10.148 -5.140 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.420 8.857 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.022 7.708 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.026 8.300 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.192 9.203 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.286 5.677 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.980 6.076 -6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.701 6.437 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.689 7.644 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.570 7.196 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.402 6.280 -5.797 1.00 0.00 H new ATOM 1241 N SER A 83 -5.867 8.389 -7.557 1.00 0.00 N ATOM 1242 CA SER A 83 -7.266 7.980 -7.556 1.00 0.00 C ATOM 1243 C SER A 83 -7.400 6.503 -7.199 1.00 0.00 C ATOM 1244 O SER A 83 -6.697 5.643 -7.730 1.00 0.00 O ATOM 1245 CB SER A 83 -7.897 8.245 -8.925 1.00 0.00 C ATOM 1246 OG SER A 83 -7.271 7.471 -9.933 1.00 0.00 O ATOM 0 H SER A 83 -5.522 8.712 -8.461 1.00 0.00 H new ATOM 0 HA SER A 83 -7.790 8.567 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.961 8.011 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.812 9.304 -9.169 1.00 0.00 H new ATOM 0 HG SER A 83 -7.693 7.657 -10.798 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.325 6.199 -6.276 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.574 4.827 -5.827 1.00 0.00 C ATOM 1254 C PRO A 84 -9.231 3.973 -6.907 1.00 0.00 C ATOM 1255 O PRO A 84 -10.212 4.386 -7.525 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.523 5.009 -4.639 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.207 6.307 -4.896 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.199 7.173 -5.601 1.00 0.00 C ATOM 0 HA PRO A 84 -7.650 4.307 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.239 4.190 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.977 5.029 -3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.097 6.165 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.533 6.768 -3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.676 7.846 -6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.642 7.794 -4.899 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.683 2.783 -7.127 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.217 1.871 -8.132 1.00 0.00 C ATOM 1268 C ILE A 85 -10.486 1.187 -7.634 1.00 0.00 C ATOM 1269 O ILE A 85 -11.294 0.703 -8.426 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.186 0.796 -8.521 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.680 0.069 -7.274 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.028 1.423 -9.282 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.910 -1.196 -7.583 1.00 0.00 C ATOM 0 H ILE A 85 -7.870 2.428 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.452 2.472 -9.011 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.670 0.068 -9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.041 0.744 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.530 -0.179 -6.638 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.308 0.650 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.403 1.899 -10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.542 2.170 -8.654 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.582 -1.659 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.552 -1.889 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.040 -0.953 -8.194 1.00 0.00 H new ATOM 1285 N MET A 86 -10.655 1.152 -6.316 1.00 0.00 N ATOM 1286 CA MET A 86 -11.827 0.529 -5.712 1.00 0.00 C ATOM 1287 C MET A 86 -12.200 1.224 -4.407 1.00 0.00 C ATOM 1288 O MET A 86 -11.437 2.037 -3.884 1.00 0.00 O ATOM 1289 CB MET A 86 -11.567 -0.957 -5.457 1.00 0.00 C ATOM 1290 CG MET A 86 -11.246 -1.743 -6.717 1.00 0.00 C ATOM 1291 SD MET A 86 -11.266 -3.526 -6.447 1.00 0.00 S ATOM 1292 CE MET A 86 -9.644 -3.778 -5.730 1.00 0.00 C ATOM 0 H MET A 86 -9.995 1.548 -5.646 1.00 0.00 H new ATOM 0 HA MET A 86 -12.660 0.630 -6.407 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.739 -1.057 -4.755 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.444 -1.394 -4.980 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.968 -1.489 -7.493 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.264 -1.446 -7.086 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.505 -4.836 -5.507 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.880 -3.453 -6.436 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.559 -3.199 -4.810 1.00 0.00 H new ATOM 1302 N THR A 87 -13.379 0.900 -3.884 1.00 0.00 N ATOM 1303 CA THR A 87 -13.853 1.494 -2.641 1.00 0.00 C ATOM 1304 C THR A 87 -13.650 0.545 -1.466 1.00 0.00 C ATOM 1305 O THR A 87 -13.834 -0.665 -1.593 1.00 0.00 O ATOM 1306 CB THR A 87 -15.345 1.869 -2.731 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.104 0.749 -3.200 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.549 3.053 -3.664 1.00 0.00 C ATOM 0 H THR A 87 -14.023 0.229 -4.303 1.00 0.00 H new ATOM 0 HA THR A 87 -13.267 2.399 -2.479 1.00 0.00 H new ATOM 0 HB THR A 87 -15.688 2.148 -1.735 1.00 0.00 H new ATOM 0 HG1 THR A 87 -17.051 0.995 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.610 3.300 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.993 3.912 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.191 2.797 -4.661 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.269 1.102 -0.320 1.00 0.00 N ATOM 1317 CA GLY A 88 -13.048 0.290 0.862 1.00 0.00 C ATOM 1318 C GLY A 88 -14.040 -0.850 0.977 1.00 0.00 C ATOM 1319 O GLY A 88 -13.663 -1.984 1.274 1.00 0.00 O ATOM 0 H GLY A 88 -13.110 2.101 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.036 -0.114 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.118 0.919 1.749 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.313 -0.551 0.742 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.364 -1.559 0.820 1.00 0.00 C ATOM 1325 C LYS A 89 -16.130 -2.669 -0.200 1.00 0.00 C ATOM 1326 O LYS A 89 -16.336 -3.846 0.093 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.733 -0.917 0.586 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.878 -1.672 1.238 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.139 -1.179 2.651 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.421 -1.767 3.220 1.00 0.00 C ATOM 1331 NZ LYS A 89 -20.554 -1.502 4.679 1.00 0.00 N ATOM 0 H LYS A 89 -15.642 0.382 0.496 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.340 -1.996 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.717 0.103 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.916 -0.852 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.781 -1.554 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.647 -2.737 1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.299 -1.447 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.205 -0.091 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.278 -1.345 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.437 -2.843 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.440 -1.919 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.750 -1.926 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.565 -0.476 4.846 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.697 -2.285 -1.397 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.435 -3.249 -2.459 1.00 0.00 C ATOM 1347 C GLU A 90 -14.236 -4.127 -2.112 1.00 0.00 C ATOM 1348 O GLU A 90 -14.152 -5.278 -2.539 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.187 -2.526 -3.784 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.436 -1.900 -4.379 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.270 -2.893 -5.164 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.724 -3.521 -6.095 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.469 -3.043 -4.848 1.00 0.00 O ATOM 0 H GLU A 90 -15.520 -1.314 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.313 -3.887 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.439 -1.748 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.768 -3.232 -4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.042 -1.476 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.149 -1.076 -5.032 1.00 0.00 H new ATOM 1360 N MET A 91 -13.309 -3.574 -1.337 1.00 0.00 N ATOM 1361 CA MET A 91 -12.115 -4.306 -0.933 1.00 0.00 C ATOM 1362 C MET A 91 -12.431 -5.282 0.196 1.00 0.00 C ATOM 1363 O MET A 91 -11.720 -6.266 0.395 1.00 0.00 O ATOM 1364 CB MET A 91 -11.020 -3.333 -0.490 1.00 0.00 C ATOM 1365 CG MET A 91 -9.612 -3.848 -0.742 1.00 0.00 C ATOM 1366 SD MET A 91 -8.352 -2.589 -0.462 1.00 0.00 S ATOM 1367 CE MET A 91 -6.858 -3.569 -0.597 1.00 0.00 C ATOM 0 H MET A 91 -13.362 -2.621 -0.976 1.00 0.00 H new ATOM 0 HA MET A 91 -11.760 -4.875 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 91 -11.152 -2.387 -1.015 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.138 -3.126 0.574 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.419 -4.701 -0.091 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.539 -4.208 -1.768 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.412 -3.690 0.390 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.101 -4.549 -1.008 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.151 -3.065 -1.256 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.501 -5.001 0.932 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.912 -5.855 2.040 1.00 0.00 C ATOM 1379 C ALA A 92 -14.856 -6.954 1.565 1.00 0.00 C ATOM 1380 O ALA A 92 -14.969 -8.005 2.196 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.572 -5.024 3.131 1.00 0.00 C ATOM 0 H ALA A 92 -14.099 -4.189 0.781 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.021 -6.330 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.874 -5.675 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.866 -4.280 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.450 -4.522 2.725 1.00 0.00 H new ATOM 1387 N SER A 93 -15.534 -6.704 0.449 1.00 0.00 N ATOM 1388 CA SER A 93 -16.473 -7.671 -0.108 1.00 0.00 C ATOM 1389 C SER A 93 -15.760 -8.644 -1.042 1.00 0.00 C ATOM 1390 O SER A 93 -15.957 -9.856 -0.963 1.00 0.00 O ATOM 1391 CB SER A 93 -17.592 -6.951 -0.861 1.00 0.00 C ATOM 1392 OG SER A 93 -18.448 -7.876 -1.510 1.00 0.00 O ATOM 0 H SER A 93 -15.451 -5.840 -0.087 1.00 0.00 H new ATOM 0 HA SER A 93 -16.906 -8.237 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.170 -6.343 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.161 -6.272 -1.597 1.00 0.00 H new ATOM 0 HG SER A 93 -19.156 -7.390 -1.983 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.929 -8.103 -1.928 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.185 -8.922 -2.878 1.00 0.00 C ATOM 1400 C VAL A 94 -13.343 -9.969 -2.158 1.00 0.00 C ATOM 1401 O VAL A 94 -12.909 -9.762 -1.026 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.266 -8.060 -3.763 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.026 -7.634 -2.991 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.884 -8.814 -5.027 1.00 0.00 C ATOM 0 H VAL A 94 -14.754 -7.101 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.920 -9.422 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.810 -7.161 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.389 -7.026 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.323 -7.052 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.477 -8.518 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.234 -8.190 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.359 -9.731 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.785 -9.063 -5.589 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.114 -11.097 -2.825 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.324 -12.161 -2.233 1.00 0.00 C ATOM 1416 C GLY A 95 -10.833 -11.929 -2.386 1.00 0.00 C ATOM 1417 O GLY A 95 -10.051 -12.279 -1.503 1.00 0.00 O ATOM 0 H GLY A 95 -13.461 -11.292 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.569 -12.245 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.591 -13.110 -2.698 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.440 -11.340 -3.511 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.033 -11.065 -3.777 1.00 0.00 C ATOM 1423 C GLU A 96 -8.880 -10.047 -4.903 1.00 0.00 C ATOM 1424 O GLU A 96 -9.537 -10.130 -5.942 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.297 -12.357 -4.139 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.925 -12.126 -4.749 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.302 -13.401 -5.284 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.673 -14.491 -4.801 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.444 -13.308 -6.187 1.00 0.00 O ATOM 0 H GLU A 96 -11.075 -11.044 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.594 -10.647 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.188 -12.967 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.906 -12.928 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.009 -11.400 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.266 -11.692 -3.997 1.00 0.00 H new ATOM 1436 N PRO A 97 -7.994 -9.063 -4.695 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.734 -8.010 -5.681 1.00 0.00 C ATOM 1438 C PRO A 97 -7.007 -8.536 -6.914 1.00 0.00 C ATOM 1439 O PRO A 97 -6.341 -9.571 -6.859 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.847 -7.021 -4.919 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.183 -7.841 -3.867 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.176 -8.902 -3.481 1.00 0.00 C ATOM 0 HA PRO A 97 -8.657 -7.571 -6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.115 -6.556 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.437 -6.217 -4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.262 -8.287 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.913 -7.228 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.682 -9.833 -3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.780 -8.595 -2.627 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.138 -7.819 -8.024 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.492 -8.213 -9.270 1.00 0.00 C ATOM 1452 C ASP A 98 -5.028 -7.785 -9.283 1.00 0.00 C ATOM 1453 O ASP A 98 -4.719 -6.593 -9.285 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.226 -7.603 -10.465 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.814 -8.233 -11.781 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -6.601 -9.463 -11.809 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -6.705 -7.496 -12.783 1.00 0.00 O ATOM 0 H ASP A 98 -7.686 -6.961 -8.086 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.534 -9.300 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.301 -7.724 -10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.028 -6.532 -10.501 1.00 0.00 H new ATOM 1462 N LYS A 99 -4.130 -8.764 -9.291 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.698 -8.490 -9.303 1.00 0.00 C ATOM 1464 C LYS A 99 -2.393 -7.226 -10.102 1.00 0.00 C ATOM 1465 O LYS A 99 -2.068 -6.183 -9.532 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.936 -9.677 -9.897 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.427 -9.543 -9.793 1.00 0.00 C ATOM 1468 CD LYS A 99 0.047 -9.672 -8.355 1.00 0.00 C ATOM 1469 CE LYS A 99 1.487 -10.159 -8.285 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.627 -11.552 -8.793 1.00 0.00 N ATOM 0 H LYS A 99 -4.369 -9.756 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.374 -8.336 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.247 -10.589 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.211 -9.787 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.050 -10.309 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.118 -8.577 -10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.037 -8.707 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.600 -10.366 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.124 -9.494 -8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.837 -10.112 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.464 -11.996 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.779 -12.099 -8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.736 -11.535 -9.827 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.502 -7.326 -11.422 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.239 -6.190 -12.299 1.00 0.00 C ATOM 1486 C LEU A 100 -2.740 -4.892 -11.673 1.00 0.00 C ATOM 1487 O LEU A 100 -1.985 -3.931 -11.523 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.906 -6.405 -13.658 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.242 -7.430 -14.577 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.016 -7.561 -15.880 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -0.795 -7.044 -14.850 1.00 0.00 C ATOM 0 H LEU A 100 -2.770 -8.181 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.161 -6.112 -12.439 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.938 -6.713 -13.489 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.940 -5.448 -14.179 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.250 -8.398 -14.075 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.528 -8.295 -16.521 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.035 -7.885 -15.667 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.041 -6.596 -16.387 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.338 -7.785 -15.506 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.764 -6.066 -15.330 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.245 -7.004 -13.910 1.00 0.00 H new ATOM 1503 N SER A 101 -4.018 -4.872 -11.308 1.00 0.00 N ATOM 1504 CA SER A 101 -4.621 -3.691 -10.700 1.00 0.00 C ATOM 1505 C SER A 101 -3.837 -3.256 -9.465 1.00 0.00 C ATOM 1506 O SER A 101 -3.610 -2.067 -9.248 1.00 0.00 O ATOM 1507 CB SER A 101 -6.076 -3.973 -10.321 1.00 0.00 C ATOM 1508 OG SER A 101 -6.892 -4.078 -11.476 1.00 0.00 O ATOM 0 H SER A 101 -4.656 -5.660 -11.423 1.00 0.00 H new ATOM 0 HA SER A 101 -4.594 -2.882 -11.430 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.133 -4.897 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.449 -3.175 -9.679 1.00 0.00 H new ATOM 0 HG SER A 101 -7.817 -4.260 -11.208 1.00 0.00 H new ATOM 1514 N MET A 102 -3.427 -4.230 -8.659 1.00 0.00 N ATOM 1515 CA MET A 102 -2.668 -3.949 -7.446 1.00 0.00 C ATOM 1516 C MET A 102 -1.296 -3.374 -7.784 1.00 0.00 C ATOM 1517 O MET A 102 -0.974 -2.247 -7.406 1.00 0.00 O ATOM 1518 CB MET A 102 -2.509 -5.222 -6.612 1.00 0.00 C ATOM 1519 CG MET A 102 -3.775 -5.627 -5.874 1.00 0.00 C ATOM 1520 SD MET A 102 -4.340 -4.363 -4.719 1.00 0.00 S ATOM 1521 CE MET A 102 -2.985 -4.343 -3.549 1.00 0.00 C ATOM 0 H MET A 102 -3.608 -5.220 -8.824 1.00 0.00 H new ATOM 0 HA MET A 102 -3.219 -3.209 -6.865 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.202 -6.039 -7.265 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.708 -5.075 -5.888 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.564 -5.831 -6.598 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.594 -6.555 -5.331 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.135 -3.536 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.946 -5.296 -3.021 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.047 -4.185 -4.081 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.492 -4.155 -8.498 1.00 0.00 N ATOM 1532 CA VAL A 103 0.845 -3.722 -8.888 1.00 0.00 C ATOM 1533 C VAL A 103 0.817 -2.318 -9.482 1.00 0.00 C ATOM 1534 O VAL A 103 1.535 -1.427 -9.030 1.00 0.00 O ATOM 1535 CB VAL A 103 1.472 -4.688 -9.910 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.811 -4.156 -10.398 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.629 -6.075 -9.305 1.00 0.00 C ATOM 0 H VAL A 103 -0.743 -5.090 -8.818 1.00 0.00 H new ATOM 0 HA VAL A 103 1.453 -3.718 -7.983 1.00 0.00 H new ATOM 0 HB VAL A 103 0.804 -4.764 -10.768 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.238 -4.853 -11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.666 -3.186 -10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.490 -4.048 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.074 -6.745 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.275 -6.019 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.651 -6.457 -9.011 1.00 0.00 H new ATOM 1547 N MET A 104 -0.017 -2.129 -10.500 1.00 0.00 N ATOM 1548 CA MET A 104 -0.140 -0.833 -11.155 1.00 0.00 C ATOM 1549 C MET A 104 -0.503 0.254 -10.148 1.00 0.00 C ATOM 1550 O MET A 104 0.321 1.108 -9.819 1.00 0.00 O ATOM 1551 CB MET A 104 -1.197 -0.894 -12.260 1.00 0.00 C ATOM 1552 CG MET A 104 -0.799 -1.773 -13.434 1.00 0.00 C ATOM 1553 SD MET A 104 -1.731 -1.397 -14.931 1.00 0.00 S ATOM 1554 CE MET A 104 -3.327 -2.099 -14.522 1.00 0.00 C ATOM 0 H MET A 104 -0.617 -2.857 -10.888 1.00 0.00 H new ATOM 0 HA MET A 104 0.825 -0.585 -11.598 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.131 -1.266 -11.838 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.391 0.116 -12.622 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.265 -1.647 -13.632 1.00 0.00 H new ATOM 0 HG3 MET A 104 -0.953 -2.819 -13.168 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.966 -2.090 -15.405 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.196 -3.125 -14.179 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.792 -1.509 -13.732 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.739 0.216 -9.663 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.211 1.200 -8.696 1.00 0.00 C ATOM 1566 C TYR A 105 -1.132 1.507 -7.661 1.00 0.00 C ATOM 1567 O TYR A 105 -0.853 2.670 -7.364 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.474 0.693 -7.997 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.904 1.551 -6.828 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.593 2.740 -7.031 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.623 1.171 -5.522 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.988 3.527 -5.966 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.015 1.951 -4.451 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.697 3.128 -4.678 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.090 3.908 -3.615 1.00 0.00 O ATOM 0 H TYR A 105 -2.432 -0.485 -9.924 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.445 2.118 -9.234 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.287 0.647 -8.722 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.302 -0.325 -7.646 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.824 3.055 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.089 0.250 -5.340 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.522 4.449 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.789 1.641 -3.442 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.741 3.417 -3.072 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.528 0.457 -7.116 1.00 0.00 N ATOM 1586 CA LEU A 106 0.521 0.613 -6.115 1.00 0.00 C ATOM 1587 C LEU A 106 1.722 1.353 -6.695 1.00 0.00 C ATOM 1588 O LEU A 106 2.329 2.192 -6.030 1.00 0.00 O ATOM 1589 CB LEU A 106 0.957 -0.756 -5.588 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.084 -1.523 -4.772 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.332 -2.978 -4.611 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.284 -0.870 -3.413 1.00 0.00 C ATOM 0 H LEU A 106 -0.747 -0.511 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 106 0.118 1.202 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.251 -1.373 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.845 -0.620 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.032 -1.494 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.420 -3.509 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.423 -3.441 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.292 -3.027 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.028 -1.430 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.660 -0.867 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.627 0.156 -3.549 1.00 0.00 H new ATOM 1604 N THR A 107 2.059 1.038 -7.942 1.00 0.00 N ATOM 1605 CA THR A 107 3.186 1.674 -8.613 1.00 0.00 C ATOM 1606 C THR A 107 3.146 3.188 -8.441 1.00 0.00 C ATOM 1607 O THR A 107 4.187 3.840 -8.364 1.00 0.00 O ATOM 1608 CB THR A 107 3.206 1.340 -10.117 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.179 -0.080 -10.304 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.444 1.920 -10.784 1.00 0.00 C ATOM 0 H THR A 107 1.567 0.346 -8.508 1.00 0.00 H new ATOM 0 HA THR A 107 4.091 1.282 -8.149 1.00 0.00 H new ATOM 0 HB THR A 107 2.323 1.784 -10.577 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.293 -0.424 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.436 1.671 -11.845 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.447 3.004 -10.665 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.337 1.501 -10.320 1.00 0.00 H new ATOM 1618 N GLN A 108 1.938 3.740 -8.380 1.00 0.00 N ATOM 1619 CA GLN A 108 1.764 5.178 -8.217 1.00 0.00 C ATOM 1620 C GLN A 108 2.436 5.666 -6.938 1.00 0.00 C ATOM 1621 O GLN A 108 3.109 6.697 -6.932 1.00 0.00 O ATOM 1622 CB GLN A 108 0.276 5.533 -8.193 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.427 5.296 -9.519 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.888 5.699 -9.485 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.726 4.842 -8.913 1.00 0.00 O flip ATOM 1626 NE2 GLN A 108 -2.261 6.769 -9.968 1.00 0.00 N flip ATOM 0 H GLN A 108 1.067 3.213 -8.441 1.00 0.00 H new ATOM 0 HA GLN A 108 2.235 5.674 -9.065 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.217 4.944 -7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.165 6.581 -7.915 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.083 5.858 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.351 4.241 -9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.583 7.398 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.248 7.026 -9.938 1.00 0.00 H new ATOM 1635 N PHE A 109 2.249 4.919 -5.855 1.00 0.00 N ATOM 1636 CA PHE A 109 2.837 5.276 -4.569 1.00 0.00 C ATOM 1637 C PHE A 109 4.351 5.090 -4.592 1.00 0.00 C ATOM 1638 O PHE A 109 5.099 5.931 -4.093 1.00 0.00 O ATOM 1639 CB PHE A 109 2.224 4.429 -3.451 1.00 0.00 C ATOM 1640 CG PHE A 109 0.762 4.695 -3.230 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.187 4.191 -4.104 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.338 5.449 -2.148 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.532 4.435 -3.903 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.006 5.696 -1.941 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.943 5.188 -2.820 1.00 0.00 C ATOM 0 H PHE A 109 1.695 4.063 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 109 2.621 6.327 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.361 3.374 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.764 4.620 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.128 3.601 -4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.066 5.849 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.262 4.037 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.323 6.285 -1.093 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.994 5.379 -2.661 1.00 0.00 H new ATOM 1655 N TYR A 110 4.796 3.981 -5.174 1.00 0.00 N ATOM 1656 CA TYR A 110 6.220 3.682 -5.259 1.00 0.00 C ATOM 1657 C TYR A 110 6.944 4.719 -6.112 1.00 0.00 C ATOM 1658 O TYR A 110 7.810 5.444 -5.623 1.00 0.00 O ATOM 1659 CB TYR A 110 6.434 2.285 -5.844 1.00 0.00 C ATOM 1660 CG TYR A 110 7.736 2.138 -6.599 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.917 1.831 -5.934 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.785 2.304 -7.977 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.109 1.696 -6.619 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.973 2.170 -8.671 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.131 1.866 -7.988 1.00 0.00 C ATOM 1666 OH TYR A 110 11.316 1.732 -8.674 1.00 0.00 O ATOM 0 H TYR A 110 4.191 3.275 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 110 6.634 3.714 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.408 1.554 -5.036 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.607 2.050 -6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.903 1.696 -4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.880 2.542 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.018 1.459 -6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.994 2.303 -9.743 1.00 0.00 H new ATOM 0 HH TYR A 110 11.159 1.882 -9.630 1.00 0.00 H new ATOM 1676 N GLU A 111 6.582 4.783 -7.389 1.00 0.00 N ATOM 1677 CA GLU A 111 7.198 5.731 -8.311 1.00 0.00 C ATOM 1678 C GLU A 111 7.302 7.115 -7.677 1.00 0.00 C ATOM 1679 O GLU A 111 8.282 7.831 -7.883 1.00 0.00 O ATOM 1680 CB GLU A 111 6.391 5.812 -9.608 1.00 0.00 C ATOM 1681 CG GLU A 111 6.782 4.761 -10.634 1.00 0.00 C ATOM 1682 CD GLU A 111 7.883 5.233 -11.563 1.00 0.00 C ATOM 1683 OE1 GLU A 111 8.094 6.460 -11.659 1.00 0.00 O ATOM 1684 OE2 GLU A 111 8.536 4.375 -12.193 1.00 0.00 O ATOM 0 H GLU A 111 5.866 4.190 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 111 8.204 5.377 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.332 5.704 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.521 6.802 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.110 3.859 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.906 4.490 -11.223 1.00 0.00 H new ATOM 1691 N MET A 112 6.285 7.485 -6.906 1.00 0.00 N ATOM 1692 CA MET A 112 6.262 8.784 -6.242 1.00 0.00 C ATOM 1693 C MET A 112 7.257 8.820 -5.086 1.00 0.00 C ATOM 1694 O MET A 112 7.951 9.816 -4.883 1.00 0.00 O ATOM 1695 CB MET A 112 4.855 9.094 -5.729 1.00 0.00 C ATOM 1696 CG MET A 112 4.631 10.565 -5.421 1.00 0.00 C ATOM 1697 SD MET A 112 2.914 11.068 -5.646 1.00 0.00 S ATOM 1698 CE MET A 112 2.096 10.027 -4.439 1.00 0.00 C ATOM 0 H MET A 112 5.466 6.904 -6.725 1.00 0.00 H new ATOM 0 HA MET A 112 6.550 9.542 -6.970 1.00 0.00 H new ATOM 0 HB2 MET A 112 4.127 8.772 -6.473 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.669 8.510 -4.828 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.933 10.767 -4.393 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.270 11.169 -6.066 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.104 9.758 -4.803 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.682 9.122 -4.282 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.003 10.567 -3.497 1.00 0.00 H new ATOM 1708 N PHE A 113 7.320 7.728 -4.331 1.00 0.00 N ATOM 1709 CA PHE A 113 8.229 7.636 -3.195 1.00 0.00 C ATOM 1710 C PHE A 113 9.417 6.734 -3.519 1.00 0.00 C ATOM 1711 O PHE A 113 9.997 6.109 -2.632 1.00 0.00 O ATOM 1712 CB PHE A 113 7.490 7.103 -1.965 1.00 0.00 C ATOM 1713 CG PHE A 113 6.260 7.891 -1.617 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.265 9.275 -1.686 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.099 7.248 -1.221 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.135 10.002 -1.365 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.965 7.970 -0.899 1.00 0.00 C ATOM 1718 CZ PHE A 113 3.983 9.349 -0.972 1.00 0.00 C ATOM 0 H PHE A 113 6.752 6.895 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 113 8.604 8.637 -2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.209 6.065 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.169 7.109 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.162 9.791 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.079 6.170 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.152 11.080 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.066 7.456 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.098 9.916 -0.722 1.00 0.00 H new ATOM 1728 N LYS A 114 9.772 6.672 -4.798 1.00 0.00 N ATOM 1729 CA LYS A 114 10.890 5.848 -5.242 1.00 0.00 C ATOM 1730 C LYS A 114 12.215 6.576 -5.044 1.00 0.00 C ATOM 1731 O LYS A 114 13.207 5.978 -4.627 1.00 0.00 O ATOM 1732 CB LYS A 114 10.718 5.471 -6.716 1.00 0.00 C ATOM 1733 CG LYS A 114 11.158 6.561 -7.678 1.00 0.00 C ATOM 1734 CD LYS A 114 11.089 6.092 -9.121 1.00 0.00 C ATOM 1735 CE LYS A 114 10.923 7.261 -10.080 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.173 8.062 -10.198 1.00 0.00 N ATOM 0 H LYS A 114 9.302 7.183 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 114 10.902 4.940 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.290 4.566 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.670 5.235 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.525 7.439 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.177 6.866 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.997 5.542 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.255 5.401 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.637 6.887 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.112 7.902 -9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.020 8.849 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.432 8.440 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.941 7.457 -10.552 1.00 0.00 H new