USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 709 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 50 CYS SG : rot -160:sc= 0.0498 USER MOD Set 1.2: A 59 THR OG1 : rot -65:sc= 0.0544 USER MOD Single : A 11 CYS SG : rot 21:sc= 0.00519 USER MOD Single : A 13 ASN : amide:sc= -3.62! C(o=-3.6!,f=-8!) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -6.05 F(o=-9.2!,f=-6) USER MOD Single : A 16 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= 0.182 (180deg=0.0352) USER MOD Single : A 34 SER OG : rot 140:sc= -0.146 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.071) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.73) USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.119) USER MOD Single : A 71 THR OG1 : rot 47:sc= 1.19 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 93 TYR OH : rot 30:sc= -0.581 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.37) USER MOD Single : A 105 GLN : amide:sc= -1.02 X(o=-1,f=-0.91) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.421 -0.723 -11.997 1.00 0.00 N ATOM 114 CA CYS A 11 3.601 -0.037 -11.482 1.00 0.00 C ATOM 115 C CYS A 11 3.317 0.580 -10.116 1.00 0.00 C ATOM 116 O CYS A 11 4.088 1.405 -9.625 1.00 0.00 O ATOM 117 CB CYS A 11 4.055 1.047 -12.460 1.00 0.00 C ATOM 118 SG CYS A 11 4.042 0.529 -14.193 1.00 0.00 S ATOM 0 HA CYS A 11 4.398 -0.772 -11.371 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.409 1.917 -12.347 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.064 1.363 -12.194 1.00 0.00 H new ATOM 0 HG CYS A 11 3.257 -0.497 -14.333 1.00 0.00 H new ATOM 124 N TRP A 12 2.207 0.177 -9.510 1.00 0.00 N ATOM 125 CA TRP A 12 1.821 0.692 -8.201 1.00 0.00 C ATOM 126 C TRP A 12 1.995 -0.373 -7.124 1.00 0.00 C ATOM 127 O TRP A 12 1.802 -0.107 -5.938 1.00 0.00 O ATOM 128 CB TRP A 12 0.370 1.176 -8.228 1.00 0.00 C ATOM 129 CG TRP A 12 -0.536 0.291 -9.029 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.013 0.530 -10.286 1.00 0.00 C ATOM 131 CD2 TRP A 12 -1.075 -0.973 -8.627 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.817 -0.510 -10.690 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.870 -1.444 -9.690 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.962 -1.753 -7.473 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.548 -2.659 -9.631 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.636 -2.959 -7.415 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.419 -3.403 -8.489 1.00 0.00 C ATOM 0 H TRP A 12 1.558 -0.505 -9.903 1.00 0.00 H new ATOM 0 HA TRP A 12 2.472 1.533 -7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -0.004 1.237 -7.206 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.338 2.185 -8.640 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.791 1.407 -10.876 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.296 -0.575 -11.588 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.359 -1.420 -6.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.154 -3.002 -10.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.558 -3.569 -6.527 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.931 -4.351 -8.414 1.00 0.00 H new ATOM 148 N ASN A 13 2.360 -1.580 -7.544 1.00 0.00 N ATOM 149 CA ASN A 13 2.559 -2.685 -6.614 1.00 0.00 C ATOM 150 C ASN A 13 3.937 -3.312 -6.802 1.00 0.00 C ATOM 151 O ASN A 13 4.134 -4.155 -7.678 1.00 0.00 O ATOM 152 CB ASN A 13 1.473 -3.746 -6.810 1.00 0.00 C ATOM 153 CG ASN A 13 1.723 -4.989 -5.978 1.00 0.00 C ATOM 154 OD1 ASN A 13 2.869 -5.372 -5.743 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.648 -5.626 -5.530 1.00 0.00 N ATOM 0 H ASN A 13 2.524 -1.817 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 13 2.494 -2.290 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.504 -3.323 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.423 -4.021 -7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.753 -6.469 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.283 -5.272 -5.750 1.00 0.00 H new ATOM 162 N HIS A 14 4.889 -2.895 -5.973 1.00 0.00 N ATOM 163 CA HIS A 14 6.249 -3.416 -6.046 1.00 0.00 C ATOM 164 C HIS A 14 6.292 -4.884 -5.630 1.00 0.00 C ATOM 165 O HIS A 14 6.667 -5.752 -6.417 1.00 0.00 O ATOM 166 CB HIS A 14 7.181 -2.594 -5.156 1.00 0.00 C ATOM 167 CG HIS A 14 7.263 -1.151 -5.546 1.00 0.00 C ATOM 168 ND1 HIS A 14 6.289 -0.241 -5.780 1.00 0.00 N flip ATOM 169 CD2 HIS A 14 8.458 -0.489 -5.739 1.00 0.00 C flip ATOM 170 CE1 HIS A 14 6.906 0.942 -6.106 1.00 0.00 C flip ATOM 171 NE2 HIS A 14 8.215 0.765 -6.073 1.00 0.00 N flip ATOM 0 H HIS A 14 4.743 -2.198 -5.243 1.00 0.00 H new ATOM 0 HA HIS A 14 6.586 -3.340 -7.080 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.839 -2.664 -4.123 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.180 -3.029 -5.191 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.439 -0.928 -5.633 1.00 0.00 H new ATOM 0 HE1 HIS A 14 6.403 1.866 -6.350 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.918 1.476 -6.272 1.00 0.00 H new ATOM 180 N GLY A 15 5.905 -5.153 -4.386 1.00 0.00 N ATOM 181 CA GLY A 15 5.907 -6.516 -3.887 1.00 0.00 C ATOM 182 C GLY A 15 7.294 -6.988 -3.500 1.00 0.00 C ATOM 183 O GLY A 15 8.228 -6.915 -4.298 1.00 0.00 O ATOM 0 H GLY A 15 5.590 -4.452 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.248 -6.584 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.500 -7.180 -4.650 1.00 0.00 H new ATOM 187 N ASN A 16 7.431 -7.473 -2.270 1.00 0.00 N ATOM 188 CA ASN A 16 8.715 -7.958 -1.777 1.00 0.00 C ATOM 189 C ASN A 16 9.710 -6.810 -1.632 1.00 0.00 C ATOM 190 O ASN A 16 10.841 -6.891 -2.113 1.00 0.00 O ATOM 191 CB ASN A 16 9.279 -9.020 -2.722 1.00 0.00 C ATOM 192 CG ASN A 16 8.249 -10.070 -3.092 1.00 0.00 C ATOM 193 OD1 ASN A 16 7.329 -10.351 -2.325 1.00 0.00 O ATOM 194 ND2 ASN A 16 8.400 -10.655 -4.275 1.00 0.00 N ATOM 0 H ASN A 16 6.668 -7.541 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 16 8.555 -8.403 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.645 -8.538 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.134 -9.504 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.738 -11.369 -4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.178 -10.391 -4.879 1.00 0.00 H new ATOM 201 N ILE A 17 9.281 -5.743 -0.966 1.00 0.00 N ATOM 202 CA ILE A 17 10.135 -4.581 -0.756 1.00 0.00 C ATOM 203 C ILE A 17 10.344 -4.313 0.731 1.00 0.00 C ATOM 204 O ILE A 17 9.478 -4.609 1.554 1.00 0.00 O ATOM 205 CB ILE A 17 9.542 -3.321 -1.415 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.187 -2.982 -0.790 1.00 0.00 C ATOM 207 CG2 ILE A 17 9.403 -3.524 -2.916 1.00 0.00 C ATOM 208 CD1 ILE A 17 7.700 -1.589 -1.123 1.00 0.00 C ATOM 0 H ILE A 17 8.348 -5.659 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 17 11.095 -4.807 -1.220 1.00 0.00 H new ATOM 0 HB ILE A 17 10.220 -2.485 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.448 -3.707 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.260 -3.084 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.983 -2.625 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.384 -3.723 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.743 -4.370 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.735 -1.418 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.419 -0.855 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.595 -1.489 -2.203 1.00 0.00 H new ATOM 220 N THR A 18 11.500 -3.749 1.068 1.00 0.00 N ATOM 221 CA THR A 18 11.823 -3.441 2.455 1.00 0.00 C ATOM 222 C THR A 18 11.102 -2.181 2.921 1.00 0.00 C ATOM 223 O THR A 18 10.913 -1.241 2.148 1.00 0.00 O ATOM 224 CB THR A 18 13.339 -3.252 2.650 1.00 0.00 C ATOM 225 OG1 THR A 18 13.627 -2.982 4.027 1.00 0.00 O ATOM 226 CG2 THR A 18 13.858 -2.113 1.786 1.00 0.00 C ATOM 0 H THR A 18 12.228 -3.497 0.399 1.00 0.00 H new ATOM 0 HA THR A 18 11.490 -4.289 3.053 1.00 0.00 H new ATOM 0 HB THR A 18 13.839 -4.173 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.593 -2.865 4.142 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.931 -1.999 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.664 -2.335 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.351 -1.188 2.061 1.00 0.00 H new ATOM 234 N ARG A 19 10.701 -2.168 4.188 1.00 0.00 N ATOM 235 CA ARG A 19 10.000 -1.023 4.756 1.00 0.00 C ATOM 236 C ARG A 19 10.569 0.286 4.216 1.00 0.00 C ATOM 237 O ARG A 19 9.830 1.143 3.733 1.00 0.00 O ATOM 238 CB ARG A 19 10.098 -1.043 6.282 1.00 0.00 C ATOM 239 CG ARG A 19 9.218 -0.009 6.963 1.00 0.00 C ATOM 240 CD ARG A 19 8.920 -0.392 8.405 1.00 0.00 C ATOM 241 NE ARG A 19 7.789 -1.310 8.505 1.00 0.00 N ATOM 242 CZ ARG A 19 6.545 -0.983 8.174 1.00 0.00 C ATOM 243 NH1 ARG A 19 6.274 0.234 7.724 1.00 0.00 N ATOM 244 NH2 ARG A 19 5.570 -1.874 8.293 1.00 0.00 N ATOM 0 H ARG A 19 10.850 -2.938 4.841 1.00 0.00 H new ATOM 0 HA ARG A 19 8.952 -1.091 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.824 -2.035 6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.135 -0.874 6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.711 0.963 6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.283 0.094 6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.802 -0.855 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.709 0.508 8.983 1.00 0.00 H new ATOM 0 HE ARG A 19 7.964 -2.255 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.022 0.922 7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.318 0.483 7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.775 -2.811 8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.615 -1.622 8.039 1.00 0.00 H new ATOM 258 N SER A 20 11.887 0.432 4.302 1.00 0.00 N ATOM 259 CA SER A 20 12.555 1.638 3.826 1.00 0.00 C ATOM 260 C SER A 20 12.014 2.057 2.463 1.00 0.00 C ATOM 261 O SER A 20 11.515 3.170 2.295 1.00 0.00 O ATOM 262 CB SER A 20 14.066 1.408 3.739 1.00 0.00 C ATOM 263 OG SER A 20 14.777 2.619 3.929 1.00 0.00 O ATOM 0 H SER A 20 12.514 -0.269 4.697 1.00 0.00 H new ATOM 0 HA SER A 20 12.356 2.439 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.371 0.682 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.317 0.984 2.767 1.00 0.00 H new ATOM 0 HG SER A 20 15.740 2.446 3.871 1.00 0.00 H new ATOM 269 N LYS A 21 12.115 1.157 1.491 1.00 0.00 N ATOM 270 CA LYS A 21 11.635 1.430 0.142 1.00 0.00 C ATOM 271 C LYS A 21 10.217 1.992 0.172 1.00 0.00 C ATOM 272 O LYS A 21 9.932 3.017 -0.447 1.00 0.00 O ATOM 273 CB LYS A 21 11.671 0.155 -0.703 1.00 0.00 C ATOM 274 CG LYS A 21 11.789 0.416 -2.195 1.00 0.00 C ATOM 275 CD LYS A 21 13.190 0.865 -2.573 1.00 0.00 C ATOM 276 CE LYS A 21 13.431 0.738 -4.070 1.00 0.00 C ATOM 277 NZ LYS A 21 14.671 1.444 -4.494 1.00 0.00 N ATOM 0 H LYS A 21 12.525 0.231 1.613 1.00 0.00 H new ATOM 0 HA LYS A 21 12.293 2.174 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.512 -0.459 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.765 -0.421 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.536 -0.490 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.069 1.180 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.336 1.901 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.923 0.266 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.504 -0.316 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.578 1.146 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.800 1.334 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.592 2.455 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.489 1.038 -3.997 1.00 0.00 H new ATOM 291 N ALA A 22 9.332 1.315 0.896 1.00 0.00 N ATOM 292 CA ALA A 22 7.945 1.749 1.010 1.00 0.00 C ATOM 293 C ALA A 22 7.860 3.240 1.318 1.00 0.00 C ATOM 294 O ALA A 22 7.070 3.964 0.713 1.00 0.00 O ATOM 295 CB ALA A 22 7.227 0.945 2.083 1.00 0.00 C ATOM 0 H ALA A 22 9.551 0.463 1.413 1.00 0.00 H new ATOM 0 HA ALA A 22 7.456 1.574 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.192 1.280 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.248 -0.113 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.725 1.091 3.041 1.00 0.00 H new ATOM 301 N GLU A 23 8.679 3.692 2.263 1.00 0.00 N ATOM 302 CA GLU A 23 8.694 5.098 2.652 1.00 0.00 C ATOM 303 C GLU A 23 9.453 5.937 1.628 1.00 0.00 C ATOM 304 O GLU A 23 8.884 6.826 0.996 1.00 0.00 O ATOM 305 CB GLU A 23 9.329 5.261 4.034 1.00 0.00 C ATOM 306 CG GLU A 23 8.641 4.451 5.120 1.00 0.00 C ATOM 307 CD GLU A 23 9.235 4.694 6.494 1.00 0.00 C ATOM 308 OE1 GLU A 23 10.381 4.256 6.730 1.00 0.00 O ATOM 309 OE2 GLU A 23 8.555 5.321 7.332 1.00 0.00 O ATOM 0 H GLU A 23 9.340 3.106 2.773 1.00 0.00 H new ATOM 0 HA GLU A 23 7.663 5.449 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.377 4.965 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.310 6.315 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.580 4.701 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.715 3.391 4.879 1.00 0.00 H new ATOM 316 N GLU A 24 10.741 5.647 1.473 1.00 0.00 N ATOM 317 CA GLU A 24 11.579 6.376 0.528 1.00 0.00 C ATOM 318 C GLU A 24 10.819 6.663 -0.764 1.00 0.00 C ATOM 319 O GLU A 24 10.754 7.806 -1.219 1.00 0.00 O ATOM 320 CB GLU A 24 12.849 5.581 0.219 1.00 0.00 C ATOM 321 CG GLU A 24 13.815 6.310 -0.699 1.00 0.00 C ATOM 322 CD GLU A 24 14.313 7.614 -0.106 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.007 7.566 0.931 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.008 8.681 -0.678 1.00 0.00 O ATOM 0 H GLU A 24 11.226 4.913 1.989 1.00 0.00 H new ATOM 0 HA GLU A 24 11.856 7.326 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.357 5.346 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.571 4.632 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.666 5.663 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.323 6.512 -1.651 1.00 0.00 H new ATOM 331 N LEU A 25 10.245 5.618 -1.351 1.00 0.00 N ATOM 332 CA LEU A 25 9.490 5.756 -2.591 1.00 0.00 C ATOM 333 C LEU A 25 8.500 6.913 -2.499 1.00 0.00 C ATOM 334 O LEU A 25 8.524 7.831 -3.319 1.00 0.00 O ATOM 335 CB LEU A 25 8.746 4.457 -2.905 1.00 0.00 C ATOM 336 CG LEU A 25 9.593 3.320 -3.477 1.00 0.00 C ATOM 337 CD1 LEU A 25 8.810 2.017 -3.475 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.063 3.660 -4.884 1.00 0.00 C ATOM 0 H LEU A 25 10.288 4.666 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 25 10.194 5.968 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.270 4.104 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.948 4.681 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 25 10.471 3.193 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.429 1.220 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.525 1.765 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.913 2.130 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.664 2.839 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.198 3.815 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.664 4.569 -4.857 1.00 0.00 H new ATOM 350 N LEU A 26 7.631 6.863 -1.496 1.00 0.00 N ATOM 351 CA LEU A 26 6.633 7.908 -1.295 1.00 0.00 C ATOM 352 C LEU A 26 7.296 9.274 -1.153 1.00 0.00 C ATOM 353 O LEU A 26 7.163 10.133 -2.024 1.00 0.00 O ATOM 354 CB LEU A 26 5.791 7.605 -0.054 1.00 0.00 C ATOM 355 CG LEU A 26 4.845 6.409 -0.160 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.191 6.125 1.183 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.789 6.657 -1.227 1.00 0.00 C ATOM 0 H LEU A 26 7.597 6.110 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 26 5.984 7.929 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.465 7.436 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.201 8.490 0.185 1.00 0.00 H new ATOM 0 HG LEU A 26 5.427 5.534 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.521 5.270 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.960 5.903 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.622 6.998 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.124 5.795 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.210 7.544 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.275 6.810 -2.191 1.00 0.00 H new ATOM 369 N SER A 27 8.012 9.466 -0.050 1.00 0.00 N ATOM 370 CA SER A 27 8.696 10.729 0.207 1.00 0.00 C ATOM 371 C SER A 27 9.268 11.309 -1.083 1.00 0.00 C ATOM 372 O SER A 27 9.105 12.496 -1.368 1.00 0.00 O ATOM 373 CB SER A 27 9.816 10.528 1.230 1.00 0.00 C ATOM 374 OG SER A 27 10.523 11.735 1.456 1.00 0.00 O ATOM 0 H SER A 27 8.134 8.764 0.680 1.00 0.00 H new ATOM 0 HA SER A 27 7.968 11.433 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.395 10.168 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.504 9.761 0.875 1.00 0.00 H new ATOM 0 HG SER A 27 11.232 11.580 2.114 1.00 0.00 H new ATOM 380 N ARG A 28 9.938 10.464 -1.859 1.00 0.00 N ATOM 381 CA ARG A 28 10.536 10.892 -3.118 1.00 0.00 C ATOM 382 C ARG A 28 9.511 11.614 -3.988 1.00 0.00 C ATOM 383 O ARG A 28 9.703 12.772 -4.361 1.00 0.00 O ATOM 384 CB ARG A 28 11.104 9.688 -3.872 1.00 0.00 C ATOM 385 CG ARG A 28 12.532 9.344 -3.483 1.00 0.00 C ATOM 386 CD ARG A 28 12.948 7.989 -4.032 1.00 0.00 C ATOM 387 NE ARG A 28 13.334 8.063 -5.439 1.00 0.00 N ATOM 388 CZ ARG A 28 14.482 8.582 -5.860 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.353 9.068 -4.987 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.761 8.614 -7.157 1.00 0.00 N ATOM 0 H ARG A 28 10.081 9.478 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 28 11.346 11.585 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.468 8.822 -3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.067 9.890 -4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.208 10.113 -3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.624 9.341 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.782 7.602 -3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.125 7.284 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 28 12.686 7.696 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.142 9.044 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.234 9.466 -5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.094 8.240 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.643 9.013 -7.479 1.00 0.00 H new ATOM 404 N THR A 29 8.422 10.922 -4.309 1.00 0.00 N ATOM 405 CA THR A 29 7.368 11.496 -5.136 1.00 0.00 C ATOM 406 C THR A 29 6.786 12.749 -4.493 1.00 0.00 C ATOM 407 O THR A 29 6.874 13.843 -5.050 1.00 0.00 O ATOM 408 CB THR A 29 6.234 10.484 -5.383 1.00 0.00 C ATOM 409 OG1 THR A 29 6.746 9.327 -6.054 1.00 0.00 O ATOM 410 CG2 THR A 29 5.123 11.108 -6.213 1.00 0.00 C ATOM 0 H THR A 29 8.247 9.963 -4.009 1.00 0.00 H new ATOM 0 HA THR A 29 7.823 11.759 -6.091 1.00 0.00 H new ATOM 0 HB THR A 29 5.823 10.190 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.009 8.846 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.333 10.374 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.715 11.970 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.523 11.428 -7.175 1.00 0.00 H new ATOM 418 N GLY A 30 6.190 12.583 -3.316 1.00 0.00 N ATOM 419 CA GLY A 30 5.601 13.710 -2.617 1.00 0.00 C ATOM 420 C GLY A 30 4.595 14.460 -3.468 1.00 0.00 C ATOM 421 O GLY A 30 4.888 15.539 -3.983 1.00 0.00 O ATOM 0 H GLY A 30 6.105 11.688 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.112 13.355 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.391 14.394 -2.307 1.00 0.00 H new ATOM 425 N LYS A 31 3.406 13.886 -3.617 1.00 0.00 N ATOM 426 CA LYS A 31 2.352 14.506 -4.412 1.00 0.00 C ATOM 427 C LYS A 31 1.038 14.544 -3.638 1.00 0.00 C ATOM 428 O LYS A 31 -0.040 14.603 -4.229 1.00 0.00 O ATOM 429 CB LYS A 31 2.161 13.744 -5.725 1.00 0.00 C ATOM 430 CG LYS A 31 3.119 14.173 -6.822 1.00 0.00 C ATOM 431 CD LYS A 31 2.528 13.939 -8.203 1.00 0.00 C ATOM 432 CE LYS A 31 2.839 12.540 -8.712 1.00 0.00 C ATOM 433 NZ LYS A 31 2.581 12.411 -10.173 1.00 0.00 N ATOM 0 H LYS A 31 3.148 12.993 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 31 2.652 15.530 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.289 12.678 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.138 13.886 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.360 15.229 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.053 13.620 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.448 14.083 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.925 14.677 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.882 12.302 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.233 11.814 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.168 11.647 -10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.577 12.191 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.817 13.306 -10.648 1.00 0.00 H new ATOM 447 N ASP A 32 1.136 14.512 -2.314 1.00 0.00 N ATOM 448 CA ASP A 32 -0.045 14.545 -1.459 1.00 0.00 C ATOM 449 C ASP A 32 -1.136 13.628 -2.002 1.00 0.00 C ATOM 450 O ASP A 32 -2.319 13.963 -1.964 1.00 0.00 O ATOM 451 CB ASP A 32 -0.575 15.975 -1.341 1.00 0.00 C ATOM 452 CG ASP A 32 -0.922 16.576 -2.689 1.00 0.00 C ATOM 453 OD1 ASP A 32 -0.016 17.140 -3.338 1.00 0.00 O ATOM 454 OD2 ASP A 32 -2.099 16.483 -3.095 1.00 0.00 O ATOM 0 H ASP A 32 2.021 14.463 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 32 0.243 14.189 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.460 15.980 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.173 16.598 -0.850 1.00 0.00 H new ATOM 459 N GLY A 33 -0.728 12.468 -2.510 1.00 0.00 N ATOM 460 CA GLY A 33 -1.683 11.521 -3.055 1.00 0.00 C ATOM 461 C GLY A 33 -1.011 10.303 -3.657 1.00 0.00 C ATOM 462 O GLY A 33 -1.531 9.699 -4.595 1.00 0.00 O ATOM 0 H GLY A 33 0.246 12.168 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.366 11.203 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.285 12.015 -3.818 1.00 0.00 H new ATOM 466 N SER A 34 0.148 9.941 -3.117 1.00 0.00 N ATOM 467 CA SER A 34 0.895 8.789 -3.610 1.00 0.00 C ATOM 468 C SER A 34 0.440 7.509 -2.916 1.00 0.00 C ATOM 469 O SER A 34 -0.060 7.543 -1.791 1.00 0.00 O ATOM 470 CB SER A 34 2.395 8.996 -3.391 1.00 0.00 C ATOM 471 OG SER A 34 2.968 9.734 -4.456 1.00 0.00 O ATOM 0 H SER A 34 0.591 10.429 -2.338 1.00 0.00 H new ATOM 0 HA SER A 34 0.701 8.691 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.559 9.522 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.890 8.029 -3.307 1.00 0.00 H new ATOM 0 HG SER A 34 3.620 10.372 -4.098 1.00 0.00 H new ATOM 477 N PHE A 35 0.616 6.381 -3.595 1.00 0.00 N ATOM 478 CA PHE A 35 0.223 5.088 -3.045 1.00 0.00 C ATOM 479 C PHE A 35 0.984 3.954 -3.725 1.00 0.00 C ATOM 480 O PHE A 35 1.265 4.010 -4.923 1.00 0.00 O ATOM 481 CB PHE A 35 -1.283 4.877 -3.210 1.00 0.00 C ATOM 482 CG PHE A 35 -1.688 4.509 -4.609 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.946 5.492 -5.551 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.809 3.180 -4.982 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.318 5.156 -6.839 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.180 2.839 -6.269 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.436 3.828 -7.198 1.00 0.00 C ATOM 0 H PHE A 35 1.028 6.335 -4.527 1.00 0.00 H new ATOM 0 HA PHE A 35 0.470 5.082 -1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.608 4.092 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.804 5.789 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.855 6.532 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.611 2.402 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.516 5.932 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.270 1.799 -6.548 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.728 3.563 -8.204 1.00 0.00 H new ATOM 497 N LEU A 36 1.316 2.926 -2.952 1.00 0.00 N ATOM 498 CA LEU A 36 2.046 1.778 -3.478 1.00 0.00 C ATOM 499 C LEU A 36 1.691 0.509 -2.709 1.00 0.00 C ATOM 500 O LEU A 36 1.192 0.570 -1.585 1.00 0.00 O ATOM 501 CB LEU A 36 3.553 2.028 -3.403 1.00 0.00 C ATOM 502 CG LEU A 36 4.164 2.031 -2.001 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.426 0.609 -1.530 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.449 2.847 -1.981 1.00 0.00 C ATOM 0 H LEU A 36 1.091 2.864 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 36 1.758 1.642 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.058 1.265 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.766 2.989 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 36 3.453 2.493 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.861 0.631 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.488 0.055 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.118 0.120 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.870 2.838 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.166 2.414 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.232 3.874 -2.275 1.00 0.00 H new ATOM 516 N VAL A 37 1.954 -0.641 -3.322 1.00 0.00 N ATOM 517 CA VAL A 37 1.665 -1.925 -2.695 1.00 0.00 C ATOM 518 C VAL A 37 2.939 -2.739 -2.497 1.00 0.00 C ATOM 519 O VAL A 37 3.871 -2.657 -3.298 1.00 0.00 O ATOM 520 CB VAL A 37 0.669 -2.748 -3.533 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.063 -3.866 -2.697 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.418 -1.849 -4.102 1.00 0.00 C ATOM 0 H VAL A 37 2.367 -0.709 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 37 1.220 -1.709 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 37 1.208 -3.200 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.638 -4.437 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.855 -4.525 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.463 -3.438 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.113 -2.447 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.956 -1.367 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.035 -1.088 -4.737 1.00 0.00 H new ATOM 532 N ARG A 38 2.973 -3.525 -1.426 1.00 0.00 N ATOM 533 CA ARG A 38 4.133 -4.354 -1.123 1.00 0.00 C ATOM 534 C ARG A 38 3.703 -5.714 -0.582 1.00 0.00 C ATOM 535 O ARG A 38 2.525 -5.941 -0.311 1.00 0.00 O ATOM 536 CB ARG A 38 5.036 -3.652 -0.107 1.00 0.00 C ATOM 537 CG ARG A 38 4.382 -3.447 1.250 1.00 0.00 C ATOM 538 CD ARG A 38 5.417 -3.199 2.336 1.00 0.00 C ATOM 539 NE ARG A 38 4.906 -3.524 3.665 1.00 0.00 N ATOM 540 CZ ARG A 38 5.683 -3.718 4.724 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.001 -3.620 4.611 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.143 -4.010 5.900 1.00 0.00 N ATOM 0 H ARG A 38 2.210 -3.605 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 38 4.689 -4.509 -2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.946 -4.237 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.334 -2.683 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.696 -2.602 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.788 -4.325 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.305 -3.797 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.724 -2.153 2.312 1.00 0.00 H new ATOM 0 HE ARG A 38 3.897 -3.606 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.420 -3.395 3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.595 -3.770 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.130 -4.086 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.741 -4.159 6.713 1.00 0.00 H new ATOM 556 N ALA A 39 4.667 -6.616 -0.430 1.00 0.00 N ATOM 557 CA ALA A 39 4.389 -7.954 0.079 1.00 0.00 C ATOM 558 C ALA A 39 4.706 -8.052 1.567 1.00 0.00 C ATOM 559 O ALA A 39 5.855 -8.265 1.954 1.00 0.00 O ATOM 560 CB ALA A 39 5.183 -8.991 -0.702 1.00 0.00 C ATOM 0 H ALA A 39 5.648 -6.445 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 39 3.325 -8.153 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.966 -9.985 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.904 -8.946 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.249 -8.786 -0.600 1.00 0.00 H new ATOM 566 N SER A 40 3.680 -7.894 2.397 1.00 0.00 N ATOM 567 CA SER A 40 3.850 -7.961 3.844 1.00 0.00 C ATOM 568 C SER A 40 4.869 -9.032 4.222 1.00 0.00 C ATOM 569 O SER A 40 4.718 -10.200 3.866 1.00 0.00 O ATOM 570 CB SER A 40 2.511 -8.252 4.524 1.00 0.00 C ATOM 571 OG SER A 40 2.670 -8.391 5.925 1.00 0.00 O ATOM 0 H SER A 40 2.722 -7.719 2.092 1.00 0.00 H new ATOM 0 HA SER A 40 4.220 -6.995 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.809 -7.445 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.081 -9.165 4.111 1.00 0.00 H new ATOM 0 HG SER A 40 1.800 -8.575 6.336 1.00 0.00 H new ATOM 657 N ALA A 46 -0.313 -12.057 1.876 1.00 0.00 N ATOM 658 CA ALA A 46 -0.955 -10.780 2.161 1.00 0.00 C ATOM 659 C ALA A 46 -0.210 -9.630 1.491 1.00 0.00 C ATOM 660 O ALA A 46 0.907 -9.801 1.003 1.00 0.00 O ATOM 661 CB ALA A 46 -1.038 -10.554 3.663 1.00 0.00 C ATOM 0 HA ALA A 46 -1.966 -10.810 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.520 -9.596 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.620 -11.354 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.034 -10.549 4.086 1.00 0.00 H new ATOM 667 N TYR A 47 -0.836 -8.458 1.471 1.00 0.00 N ATOM 668 CA TYR A 47 -0.233 -7.280 0.858 1.00 0.00 C ATOM 669 C TYR A 47 -0.312 -6.078 1.795 1.00 0.00 C ATOM 670 O TYR A 47 -0.781 -6.189 2.927 1.00 0.00 O ATOM 671 CB TYR A 47 -0.928 -6.956 -0.465 1.00 0.00 C ATOM 672 CG TYR A 47 -0.514 -7.862 -1.604 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.687 -7.664 -2.273 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.325 -8.915 -2.009 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.068 -8.489 -3.314 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.951 -9.745 -3.048 1.00 0.00 C ATOM 677 CZ TYR A 47 0.246 -9.528 -3.698 1.00 0.00 C ATOM 678 OH TYR A 47 0.623 -10.352 -4.733 1.00 0.00 O ATOM 0 H TYR A 47 -1.760 -8.299 1.872 1.00 0.00 H new ATOM 0 HA TYR A 47 0.817 -7.499 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.007 -7.030 -0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.711 -5.923 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.334 -6.852 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.263 -9.087 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.005 -8.321 -3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.593 -10.560 -3.350 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.066 -11.034 -4.876 1.00 0.00 H new ATOM 688 N ALA A 48 0.150 -4.929 1.312 1.00 0.00 N ATOM 689 CA ALA A 48 0.130 -3.705 2.103 1.00 0.00 C ATOM 690 C ALA A 48 0.071 -2.473 1.207 1.00 0.00 C ATOM 691 O ALA A 48 1.026 -2.168 0.491 1.00 0.00 O ATOM 692 CB ALA A 48 1.350 -3.643 3.011 1.00 0.00 C ATOM 0 H ALA A 48 0.543 -4.821 0.377 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.768 -3.715 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.322 -2.724 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.347 -4.501 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.256 -3.660 2.405 1.00 0.00 H new ATOM 698 N LEU A 49 -1.054 -1.769 1.250 1.00 0.00 N ATOM 699 CA LEU A 49 -1.237 -0.569 0.441 1.00 0.00 C ATOM 700 C LEU A 49 -0.866 0.682 1.230 1.00 0.00 C ATOM 701 O LEU A 49 -1.606 1.111 2.116 1.00 0.00 O ATOM 702 CB LEU A 49 -2.686 -0.471 -0.041 1.00 0.00 C ATOM 703 CG LEU A 49 -3.143 0.908 -0.517 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.589 1.205 -1.902 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.662 0.995 -0.519 1.00 0.00 C ATOM 0 H LEU A 49 -1.854 -2.008 1.836 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.577 -0.640 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.825 -1.180 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.340 -0.788 0.771 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.757 1.656 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.925 2.191 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.500 1.185 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.945 0.452 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.969 1.983 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.069 0.237 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.037 0.827 0.490 1.00 0.00 H new ATOM 717 N CYS A 50 0.282 1.264 0.901 1.00 0.00 N ATOM 718 CA CYS A 50 0.751 2.467 1.578 1.00 0.00 C ATOM 719 C CYS A 50 0.238 3.721 0.877 1.00 0.00 C ATOM 720 O CYS A 50 -0.100 3.688 -0.306 1.00 0.00 O ATOM 721 CB CYS A 50 2.280 2.486 1.629 1.00 0.00 C ATOM 722 SG CYS A 50 2.997 1.251 2.738 1.00 0.00 S ATOM 0 H CYS A 50 0.905 0.922 0.169 1.00 0.00 H new ATOM 0 HA CYS A 50 0.361 2.456 2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.668 2.325 0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.610 3.476 1.943 1.00 0.00 H new ATOM 0 HG CYS A 50 4.212 1.596 3.044 1.00 0.00 H new ATOM 728 N VAL A 51 0.182 4.825 1.615 1.00 0.00 N ATOM 729 CA VAL A 51 -0.291 6.089 1.065 1.00 0.00 C ATOM 730 C VAL A 51 0.388 7.273 1.746 1.00 0.00 C ATOM 731 O VAL A 51 0.506 7.314 2.971 1.00 0.00 O ATOM 732 CB VAL A 51 -1.817 6.231 1.215 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.274 7.606 0.752 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.532 5.134 0.440 1.00 0.00 C ATOM 0 H VAL A 51 0.459 4.869 2.596 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.036 6.088 0.005 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.072 6.126 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.355 7.687 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.787 8.373 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.008 7.744 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.610 5.249 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.272 5.206 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.228 4.160 0.823 1.00 0.00 H new ATOM 744 N LEU A 52 0.831 8.234 0.944 1.00 0.00 N ATOM 745 CA LEU A 52 1.498 9.421 1.469 1.00 0.00 C ATOM 746 C LEU A 52 0.503 10.558 1.677 1.00 0.00 C ATOM 747 O LEU A 52 -0.351 10.813 0.827 1.00 0.00 O ATOM 748 CB LEU A 52 2.609 9.869 0.517 1.00 0.00 C ATOM 749 CG LEU A 52 3.435 11.073 0.969 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.550 10.634 1.907 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.007 11.810 -0.233 1.00 0.00 C ATOM 0 H LEU A 52 0.741 8.215 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 52 1.935 9.164 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.285 9.029 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.160 10.103 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 52 2.780 11.756 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.127 11.505 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.119 10.152 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.204 9.931 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.592 12.664 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.647 11.136 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.192 12.159 -0.868 1.00 0.00 H new ATOM 763 N TYR A 53 0.620 11.239 2.812 1.00 0.00 N ATOM 764 CA TYR A 53 -0.270 12.349 3.132 1.00 0.00 C ATOM 765 C TYR A 53 0.211 13.091 4.375 1.00 0.00 C ATOM 766 O TYR A 53 0.459 12.484 5.417 1.00 0.00 O ATOM 767 CB TYR A 53 -1.697 11.840 3.348 1.00 0.00 C ATOM 768 CG TYR A 53 -2.719 12.946 3.482 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.007 13.506 4.720 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.397 13.430 2.370 1.00 0.00 C ATOM 771 CE1 TYR A 53 -3.942 14.516 4.848 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.332 14.441 2.488 1.00 0.00 C ATOM 773 CZ TYR A 53 -4.601 14.980 3.729 1.00 0.00 C ATOM 774 OH TYR A 53 -5.532 15.986 3.851 1.00 0.00 O ATOM 0 H TYR A 53 1.322 11.042 3.525 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.262 13.042 2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.976 11.198 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.722 11.223 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.491 13.146 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.190 13.009 1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.155 14.939 5.819 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.849 14.807 1.613 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.903 16.197 2.969 1.00 0.00 H new ATOM 784 N ARG A 54 0.339 14.408 4.257 1.00 0.00 N ATOM 785 CA ARG A 54 0.790 15.235 5.370 1.00 0.00 C ATOM 786 C ARG A 54 2.126 14.736 5.911 1.00 0.00 C ATOM 787 O ARG A 54 2.308 14.605 7.121 1.00 0.00 O ATOM 788 CB ARG A 54 -0.255 15.238 6.488 1.00 0.00 C ATOM 789 CG ARG A 54 -1.578 15.868 6.082 1.00 0.00 C ATOM 790 CD ARG A 54 -1.596 17.361 6.370 1.00 0.00 C ATOM 791 NE ARG A 54 -2.074 17.652 7.719 1.00 0.00 N ATOM 792 CZ ARG A 54 -3.360 17.721 8.044 1.00 0.00 C ATOM 793 NH1 ARG A 54 -4.292 17.519 7.123 1.00 0.00 N ATOM 794 NH2 ARG A 54 -3.717 17.990 9.293 1.00 0.00 N ATOM 0 H ARG A 54 0.137 14.926 3.402 1.00 0.00 H new ATOM 0 HA ARG A 54 0.923 16.253 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.434 14.212 6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.146 15.776 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.752 15.699 5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.393 15.383 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.592 17.766 6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.234 17.863 5.643 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.382 17.811 8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.022 17.310 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.279 17.573 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.003 18.144 10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.705 18.043 9.541 1.00 0.00 H new ATOM 808 N ASN A 55 3.058 14.457 5.006 1.00 0.00 N ATOM 809 CA ASN A 55 4.378 13.971 5.392 1.00 0.00 C ATOM 810 C ASN A 55 4.264 12.767 6.323 1.00 0.00 C ATOM 811 O ASN A 55 5.102 12.568 7.203 1.00 0.00 O ATOM 812 CB ASN A 55 5.175 15.084 6.076 1.00 0.00 C ATOM 813 CG ASN A 55 4.849 16.455 5.517 1.00 0.00 C ATOM 814 OD1 ASN A 55 4.933 16.681 4.309 1.00 0.00 O ATOM 815 ND2 ASN A 55 4.475 17.379 6.395 1.00 0.00 N ATOM 0 H ASN A 55 2.924 14.559 4.000 1.00 0.00 H new ATOM 0 HA ASN A 55 4.902 13.661 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.967 15.072 7.146 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.241 14.890 5.957 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.243 18.320 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.419 17.147 7.387 1.00 0.00 H new ATOM 822 N CYS A 56 3.222 11.968 6.121 1.00 0.00 N ATOM 823 CA CYS A 56 2.997 10.783 6.942 1.00 0.00 C ATOM 824 C CYS A 56 2.518 9.614 6.088 1.00 0.00 C ATOM 825 O CYS A 56 1.596 9.754 5.285 1.00 0.00 O ATOM 826 CB CYS A 56 1.973 11.083 8.038 1.00 0.00 C ATOM 827 SG CYS A 56 2.205 10.118 9.549 1.00 0.00 S ATOM 0 H CYS A 56 2.520 12.119 5.396 1.00 0.00 H new ATOM 0 HA CYS A 56 3.944 10.507 7.406 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.022 12.143 8.286 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.973 10.893 7.648 1.00 0.00 H new ATOM 0 HG CYS A 56 1.293 10.444 10.416 1.00 0.00 H new ATOM 833 N VAL A 57 3.151 8.459 6.267 1.00 0.00 N ATOM 834 CA VAL A 57 2.791 7.264 5.514 1.00 0.00 C ATOM 835 C VAL A 57 1.695 6.477 6.223 1.00 0.00 C ATOM 836 O VAL A 57 1.659 6.412 7.452 1.00 0.00 O ATOM 837 CB VAL A 57 4.009 6.347 5.298 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.603 5.085 4.553 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.108 7.087 4.551 1.00 0.00 C ATOM 0 H VAL A 57 3.917 8.326 6.928 1.00 0.00 H new ATOM 0 HA VAL A 57 2.424 7.600 4.545 1.00 0.00 H new ATOM 0 HB VAL A 57 4.398 6.054 6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.477 4.450 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.854 4.546 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.187 5.354 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.961 6.423 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.733 7.412 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.419 7.957 5.129 1.00 0.00 H new ATOM 849 N TYR A 58 0.802 5.880 5.441 1.00 0.00 N ATOM 850 CA TYR A 58 -0.297 5.097 5.994 1.00 0.00 C ATOM 851 C TYR A 58 -0.348 3.708 5.365 1.00 0.00 C ATOM 852 O TYR A 58 -0.819 3.539 4.240 1.00 0.00 O ATOM 853 CB TYR A 58 -1.627 5.819 5.771 1.00 0.00 C ATOM 854 CG TYR A 58 -1.710 7.162 6.461 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.014 8.261 5.971 1.00 0.00 C ATOM 856 CD2 TYR A 58 -2.483 7.333 7.602 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.086 9.490 6.598 1.00 0.00 C ATOM 858 CE2 TYR A 58 -2.562 8.558 8.235 1.00 0.00 C ATOM 859 CZ TYR A 58 -1.861 9.634 7.729 1.00 0.00 C ATOM 860 OH TYR A 58 -1.936 10.856 8.357 1.00 0.00 O ATOM 0 H TYR A 58 0.818 5.923 4.422 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.126 4.985 7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.779 5.960 4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.439 5.186 6.128 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.406 8.152 5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.032 6.493 8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.538 10.333 6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.169 8.673 9.121 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.525 10.787 9.138 1.00 0.00 H new ATOM 870 N THR A 59 0.141 2.715 6.100 1.00 0.00 N ATOM 871 CA THR A 59 0.153 1.340 5.616 1.00 0.00 C ATOM 872 C THR A 59 -1.204 0.674 5.819 1.00 0.00 C ATOM 873 O THR A 59 -1.783 0.741 6.903 1.00 0.00 O ATOM 874 CB THR A 59 1.234 0.504 6.326 1.00 0.00 C ATOM 875 OG1 THR A 59 2.477 1.215 6.334 1.00 0.00 O ATOM 876 CG2 THR A 59 1.417 -0.841 5.638 1.00 0.00 C ATOM 0 H THR A 59 0.534 2.837 7.033 1.00 0.00 H new ATOM 0 HA THR A 59 0.379 1.382 4.550 1.00 0.00 H new ATOM 0 HB THR A 59 0.910 0.328 7.352 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.803 1.314 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.185 -1.414 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.477 -1.392 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.720 -0.682 4.603 1.00 0.00 H new ATOM 884 N TYR A 60 -1.705 0.032 4.770 1.00 0.00 N ATOM 885 CA TYR A 60 -2.995 -0.645 4.832 1.00 0.00 C ATOM 886 C TYR A 60 -2.860 -2.111 4.433 1.00 0.00 C ATOM 887 O TYR A 60 -3.066 -2.472 3.274 1.00 0.00 O ATOM 888 CB TYR A 60 -4.005 0.053 3.921 1.00 0.00 C ATOM 889 CG TYR A 60 -4.581 1.319 4.513 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.472 1.269 5.578 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.233 2.566 4.008 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.001 2.424 6.122 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.756 3.726 4.546 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.640 3.650 5.602 1.00 0.00 C ATOM 895 OH TYR A 60 -6.164 4.802 6.142 1.00 0.00 O ATOM 0 H TYR A 60 -1.237 -0.034 3.866 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.352 -0.599 5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.522 0.292 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.819 -0.637 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.756 0.311 5.988 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.542 2.629 3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.693 2.367 6.949 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.474 4.687 4.142 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.808 5.579 5.663 1.00 0.00 H new ATOM 905 N ARG A 61 -2.514 -2.952 5.402 1.00 0.00 N ATOM 906 CA ARG A 61 -2.352 -4.380 5.153 1.00 0.00 C ATOM 907 C ARG A 61 -3.601 -4.963 4.499 1.00 0.00 C ATOM 908 O ARG A 61 -4.717 -4.515 4.761 1.00 0.00 O ATOM 909 CB ARG A 61 -2.056 -5.117 6.461 1.00 0.00 C ATOM 910 CG ARG A 61 -0.596 -5.053 6.879 1.00 0.00 C ATOM 911 CD ARG A 61 -0.227 -6.211 7.793 1.00 0.00 C ATOM 912 NE ARG A 61 1.192 -6.207 8.135 1.00 0.00 N ATOM 913 CZ ARG A 61 1.768 -7.133 8.894 1.00 0.00 C ATOM 914 NH1 ARG A 61 1.049 -8.132 9.387 1.00 0.00 N ATOM 915 NH2 ARG A 61 3.066 -7.062 9.161 1.00 0.00 N ATOM 0 H ARG A 61 -2.340 -2.670 6.367 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.511 -4.512 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.671 -4.693 7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.349 -6.161 6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.038 -5.071 5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.404 -4.109 7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.820 -6.156 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.480 -7.153 7.305 1.00 0.00 H new ATOM 0 HE ARG A 61 1.773 -5.452 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.051 -8.191 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.494 -8.842 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.623 -6.296 8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.506 -7.774 9.744 1.00 0.00 H new ATOM 929 N ILE A 62 -3.404 -5.964 3.648 1.00 0.00 N ATOM 930 CA ILE A 62 -4.514 -6.609 2.957 1.00 0.00 C ATOM 931 C ILE A 62 -4.463 -8.123 3.128 1.00 0.00 C ATOM 932 O ILE A 62 -3.720 -8.813 2.428 1.00 0.00 O ATOM 933 CB ILE A 62 -4.513 -6.272 1.454 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.468 -4.757 1.248 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.739 -6.868 0.777 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.768 -4.341 -0.027 1.00 0.00 C ATOM 0 H ILE A 62 -2.486 -6.346 3.420 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.431 -6.226 3.406 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.623 -6.708 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.487 -4.370 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.962 -4.298 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.724 -6.621 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.731 -7.951 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.641 -6.459 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.774 -3.254 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.738 -4.698 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.287 -4.771 -0.884 1.00 0.00 H new ATOM 948 N LEU A 63 -5.257 -8.634 4.061 1.00 0.00 N ATOM 949 CA LEU A 63 -5.305 -10.069 4.324 1.00 0.00 C ATOM 950 C LEU A 63 -6.228 -10.773 3.335 1.00 0.00 C ATOM 951 O LEU A 63 -7.263 -10.244 2.929 1.00 0.00 O ATOM 952 CB LEU A 63 -5.778 -10.330 5.755 1.00 0.00 C ATOM 953 CG LEU A 63 -4.847 -9.847 6.868 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.575 -10.681 6.899 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.516 -8.373 6.684 1.00 0.00 C ATOM 0 H LEU A 63 -5.877 -8.077 4.649 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.299 -10.469 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.749 -9.853 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.931 -11.402 5.876 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.360 -9.967 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.925 -10.323 7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.829 -11.726 7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.059 -10.593 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.853 -8.046 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.023 -8.228 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.435 -7.787 6.712 1.00 0.00 H new ATOM 967 N PRO A 64 -5.848 -11.996 2.937 1.00 0.00 N ATOM 968 CA PRO A 64 -6.629 -12.801 1.993 1.00 0.00 C ATOM 969 C PRO A 64 -7.937 -13.297 2.599 1.00 0.00 C ATOM 970 O PRO A 64 -8.049 -13.454 3.814 1.00 0.00 O ATOM 971 CB PRO A 64 -5.703 -13.979 1.680 1.00 0.00 C ATOM 972 CG PRO A 64 -4.817 -14.091 2.872 1.00 0.00 C ATOM 973 CD PRO A 64 -4.626 -12.689 3.380 1.00 0.00 C ATOM 0 HA PRO A 64 -6.923 -12.228 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.270 -14.896 1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.126 -13.799 0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.269 -14.724 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.861 -14.543 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.522 -12.665 4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.730 -12.229 2.963 1.00 0.00 H new ATOM 981 N ASN A 65 -8.924 -13.543 1.743 1.00 0.00 N ATOM 982 CA ASN A 65 -10.225 -14.022 2.195 1.00 0.00 C ATOM 983 C ASN A 65 -10.427 -15.487 1.817 1.00 0.00 C ATOM 984 O ASN A 65 -9.579 -16.090 1.161 1.00 0.00 O ATOM 985 CB ASN A 65 -11.344 -13.170 1.592 1.00 0.00 C ATOM 986 CG ASN A 65 -12.566 -13.103 2.486 1.00 0.00 C ATOM 987 OD1 ASN A 65 -13.578 -13.752 2.222 1.00 0.00 O ATOM 988 ND2 ASN A 65 -12.478 -12.315 3.551 1.00 0.00 N ATOM 0 H ASN A 65 -8.847 -13.419 0.734 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.258 -13.937 3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.972 -12.161 1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.628 -13.581 0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.269 -12.230 4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.619 -11.795 3.731 1.00 0.00 H new ATOM 995 N GLU A 66 -11.556 -16.050 2.236 1.00 0.00 N ATOM 996 CA GLU A 66 -11.868 -17.444 1.941 1.00 0.00 C ATOM 997 C GLU A 66 -11.421 -17.815 0.530 1.00 0.00 C ATOM 998 O GLU A 66 -10.646 -18.753 0.339 1.00 0.00 O ATOM 999 CB GLU A 66 -13.370 -17.697 2.094 1.00 0.00 C ATOM 1000 CG GLU A 66 -13.745 -19.169 2.070 1.00 0.00 C ATOM 1001 CD GLU A 66 -13.076 -19.960 3.177 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -11.874 -20.273 3.041 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -13.754 -20.265 4.180 1.00 0.00 O ATOM 0 H GLU A 66 -12.269 -15.563 2.780 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.327 -18.069 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.710 -17.260 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.900 -17.183 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.827 -19.266 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.468 -19.595 1.106 1.00 0.00 H new ATOM 1010 N ASP A 67 -11.914 -17.073 -0.455 1.00 0.00 N ATOM 1011 CA ASP A 67 -11.565 -17.323 -1.849 1.00 0.00 C ATOM 1012 C ASP A 67 -10.313 -16.546 -2.243 1.00 0.00 C ATOM 1013 O ASP A 67 -10.225 -16.011 -3.348 1.00 0.00 O ATOM 1014 CB ASP A 67 -12.728 -16.938 -2.765 1.00 0.00 C ATOM 1015 CG ASP A 67 -12.775 -17.779 -4.026 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -11.749 -17.844 -4.733 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -13.839 -18.372 -4.305 1.00 0.00 O ATOM 0 H ASP A 67 -12.557 -16.293 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.361 -18.388 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.667 -17.050 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.640 -15.886 -3.036 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.348 -16.489 -1.333 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.100 -15.778 -1.585 1.00 0.00 C ATOM 1024 C ASP A 68 -8.372 -14.378 -2.128 1.00 0.00 C ATOM 1025 O ASP A 68 -7.614 -13.860 -2.948 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.232 -16.561 -2.572 1.00 0.00 C ATOM 1027 CG ASP A 68 -5.759 -16.227 -2.439 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -5.439 -15.053 -2.160 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -4.926 -17.141 -2.612 1.00 0.00 O ATOM 0 H ASP A 68 -9.406 -16.927 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.567 -15.684 -0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.375 -17.629 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.560 -16.347 -3.589 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.460 -13.771 -1.665 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.833 -12.432 -2.103 1.00 0.00 C ATOM 1036 C LYS A 69 -9.056 -11.370 -1.330 1.00 0.00 C ATOM 1037 O LYS A 69 -8.830 -11.505 -0.128 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.337 -12.213 -1.919 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.192 -13.262 -2.608 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.537 -12.853 -4.031 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.728 -14.065 -4.929 1.00 0.00 C ATOM 1042 NZ LYS A 69 -13.241 -13.684 -6.274 1.00 0.00 N ATOM 0 H LYS A 69 -10.099 -14.186 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.585 -12.341 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.568 -12.210 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.602 -11.229 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.662 -14.214 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.109 -13.416 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.448 -12.254 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.743 -12.223 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.779 -14.590 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.424 -14.760 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.073 -14.463 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.261 -13.492 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.747 -12.831 -6.605 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.651 -10.315 -2.029 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.900 -9.230 -1.408 1.00 0.00 C ATOM 1058 C PHE A 70 -8.806 -8.037 -1.119 1.00 0.00 C ATOM 1059 O PHE A 70 -9.199 -7.305 -2.028 1.00 0.00 O ATOM 1060 CB PHE A 70 -6.744 -8.799 -2.313 1.00 0.00 C ATOM 1061 CG PHE A 70 -5.593 -9.765 -2.317 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -4.945 -10.096 -1.138 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -5.161 -10.343 -3.500 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -3.886 -10.984 -1.139 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -4.103 -11.232 -3.507 1.00 0.00 C ATOM 1066 CZ PHE A 70 -3.465 -11.554 -2.325 1.00 0.00 C ATOM 0 H PHE A 70 -8.830 -10.188 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.497 -9.595 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.114 -8.683 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.386 -7.821 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.271 -9.655 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.657 -10.096 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.388 -11.232 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.775 -11.675 -4.436 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.639 -12.250 -2.328 1.00 0.00 H new ATOM 1076 N THR A 71 -9.135 -7.846 0.155 1.00 0.00 N ATOM 1077 CA THR A 71 -9.996 -6.744 0.566 1.00 0.00 C ATOM 1078 C THR A 71 -9.366 -5.949 1.704 1.00 0.00 C ATOM 1079 O THR A 71 -9.426 -6.353 2.865 1.00 0.00 O ATOM 1080 CB THR A 71 -11.380 -7.250 1.013 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.261 -7.990 2.233 1.00 0.00 O ATOM 1082 CG2 THR A 71 -12.008 -8.127 -0.059 1.00 0.00 C ATOM 0 H THR A 71 -8.818 -8.441 0.920 1.00 0.00 H new ATOM 0 HA THR A 71 -10.117 -6.096 -0.302 1.00 0.00 H new ATOM 0 HB THR A 71 -12.023 -6.385 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.704 -7.490 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.985 -8.472 0.280 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.125 -7.552 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.365 -8.986 -0.249 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.762 -4.815 1.363 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.122 -3.961 2.357 1.00 0.00 C ATOM 1092 C VAL A 72 -8.993 -3.816 3.600 1.00 0.00 C ATOM 1093 O VAL A 72 -10.205 -3.625 3.501 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.824 -2.562 1.786 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.091 -1.712 2.812 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.020 -2.671 0.500 1.00 0.00 C ATOM 0 H VAL A 72 -8.702 -4.466 0.406 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.183 -4.442 2.630 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.771 -2.074 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.889 -0.727 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.708 -1.606 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.150 -2.193 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.819 -1.673 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.077 -3.178 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.587 -3.240 -0.237 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.367 -3.908 4.768 1.00 0.00 N ATOM 1107 CA GLN A 73 -9.086 -3.787 6.031 1.00 0.00 C ATOM 1108 C GLN A 73 -9.119 -2.337 6.502 1.00 0.00 C ATOM 1109 O GLN A 73 -8.117 -1.808 6.982 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.436 -4.669 7.099 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.972 -6.091 7.123 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.854 -6.736 8.490 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -9.850 -6.913 9.193 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -7.634 -7.091 8.875 1.00 0.00 N ATOM 0 H GLN A 73 -7.364 -4.066 4.867 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.111 -4.120 5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.360 -4.698 6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.591 -4.215 8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.018 -6.086 6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.429 -6.692 6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.837 -6.926 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.494 -7.529 9.785 1.00 0.00 H new ATOM 1123 N ALA A 74 -10.277 -1.701 6.362 1.00 0.00 N ATOM 1124 CA ALA A 74 -10.440 -0.312 6.775 1.00 0.00 C ATOM 1125 C ALA A 74 -11.750 -0.115 7.530 1.00 0.00 C ATOM 1126 O ALA A 74 -12.513 -1.061 7.727 1.00 0.00 O ATOM 1127 CB ALA A 74 -10.383 0.608 5.565 1.00 0.00 C ATOM 0 H ALA A 74 -11.116 -2.125 5.966 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.621 -0.060 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.506 1.642 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.420 0.495 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.182 0.347 4.871 1.00 0.00 H new ATOM 1210 N ARG A 81 -17.152 -4.380 -0.924 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.918 -5.153 -2.138 1.00 0.00 C ATOM 1212 C ARG A 81 -15.660 -6.007 -2.004 1.00 0.00 C ATOM 1213 O ARG A 81 -14.760 -5.689 -1.227 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.788 -4.222 -3.344 1.00 0.00 C ATOM 1215 CG ARG A 81 -18.115 -3.906 -4.015 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.915 -3.385 -5.429 1.00 0.00 C ATOM 1217 NE ARG A 81 -19.184 -3.191 -6.126 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.282 -2.663 -7.341 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -18.192 -2.278 -7.990 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.472 -2.519 -7.909 1.00 0.00 N ATOM 0 HA ARG A 81 -17.772 -5.814 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.321 -3.290 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.121 -4.679 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.733 -4.803 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.654 -3.164 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.373 -2.440 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.297 -4.086 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.042 -3.477 -5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.275 -2.387 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.270 -1.873 -8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.313 -2.814 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.546 -2.113 -8.842 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.606 -7.094 -2.767 1.00 0.00 N ATOM 1235 CA PHE A 82 -14.460 -7.995 -2.733 1.00 0.00 C ATOM 1236 C PHE A 82 -13.805 -8.094 -4.108 1.00 0.00 C ATOM 1237 O PHE A 82 -14.487 -8.154 -5.131 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.891 -9.385 -2.260 1.00 0.00 C ATOM 1239 CG PHE A 82 -15.454 -9.397 -0.868 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.773 -9.037 -0.637 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -14.666 -9.767 0.210 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -17.293 -9.046 0.643 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -15.182 -9.778 1.492 1.00 0.00 C ATOM 1244 CZ PHE A 82 -16.497 -9.418 1.709 1.00 0.00 C ATOM 0 H PHE A 82 -16.342 -7.372 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.731 -7.589 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.638 -9.779 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.033 -10.056 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.401 -8.746 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.637 -10.050 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.322 -8.762 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.557 -10.068 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.903 -9.427 2.710 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.476 -8.109 -4.123 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.727 -8.199 -5.372 1.00 0.00 C ATOM 1256 C PHE A 83 -10.497 -9.086 -5.205 1.00 0.00 C ATOM 1257 O PHE A 83 -9.630 -8.816 -4.373 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.305 -6.805 -5.839 1.00 0.00 C ATOM 1259 CG PHE A 83 -12.258 -5.720 -5.425 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -12.387 -5.364 -4.093 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -13.024 -5.056 -6.370 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -13.263 -4.366 -3.709 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.901 -4.057 -5.992 1.00 0.00 C ATOM 1264 CZ PHE A 83 -14.022 -3.712 -4.660 1.00 0.00 C ATOM 0 H PHE A 83 -11.896 -8.060 -3.286 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.376 -8.646 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.316 -6.581 -5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.217 -6.806 -6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.796 -5.872 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.935 -5.322 -7.413 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -13.354 -4.098 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.492 -3.546 -6.738 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.708 -2.933 -4.363 1.00 0.00 H new ATOM 1274 N THR A 84 -10.428 -10.148 -6.003 1.00 0.00 N ATOM 1275 CA THR A 84 -9.306 -11.076 -5.944 1.00 0.00 C ATOM 1276 C THR A 84 -8.084 -10.509 -6.657 1.00 0.00 C ATOM 1277 O THR A 84 -6.953 -10.920 -6.398 1.00 0.00 O ATOM 1278 CB THR A 84 -9.668 -12.435 -6.572 1.00 0.00 C ATOM 1279 OG1 THR A 84 -8.657 -13.402 -6.265 1.00 0.00 O ATOM 1280 CG2 THR A 84 -9.817 -12.312 -8.081 1.00 0.00 C ATOM 0 H THR A 84 -11.136 -10.386 -6.697 1.00 0.00 H new ATOM 0 HA THR A 84 -9.072 -11.222 -4.889 1.00 0.00 H new ATOM 0 HB THR A 84 -10.621 -12.761 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.896 -14.263 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.073 -13.284 -8.502 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.607 -11.598 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.878 -11.966 -8.512 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.318 -9.560 -7.558 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.237 -8.933 -8.308 1.00 0.00 C ATOM 1290 C LYS A 85 -6.957 -7.527 -7.788 1.00 0.00 C ATOM 1291 O LYS A 85 -7.792 -6.630 -7.914 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.588 -8.877 -9.797 1.00 0.00 C ATOM 1293 CG LYS A 85 -7.918 -10.233 -10.395 1.00 0.00 C ATOM 1294 CD LYS A 85 -6.673 -10.933 -10.913 1.00 0.00 C ATOM 1295 CE LYS A 85 -6.866 -12.441 -10.974 1.00 0.00 C ATOM 1296 NZ LYS A 85 -7.536 -12.863 -12.235 1.00 0.00 N ATOM 0 H LYS A 85 -9.248 -9.209 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.339 -9.536 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.439 -8.211 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.751 -8.442 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.400 -10.856 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.632 -10.108 -11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.429 -10.556 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.827 -10.699 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.898 -12.935 -10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.461 -12.766 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.649 -13.897 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.471 -12.412 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.956 -12.575 -13.049 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.778 -7.341 -7.205 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.388 -6.042 -6.667 1.00 0.00 C ATOM 1312 C LEU A 86 -5.784 -4.917 -7.618 1.00 0.00 C ATOM 1313 O LEU A 86 -6.390 -3.928 -7.206 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.879 -6.005 -6.415 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.417 -6.479 -5.037 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.572 -5.368 -4.011 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -4.194 -7.715 -4.610 1.00 0.00 C ATOM 0 H LEU A 86 -5.076 -8.072 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.912 -5.895 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.389 -6.619 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.531 -4.982 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.361 -6.742 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.238 -5.724 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.970 -4.510 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.619 -5.072 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.852 -8.038 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.257 -7.479 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.031 -8.515 -5.332 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.440 -5.077 -8.891 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.762 -4.076 -9.901 1.00 0.00 C ATOM 1331 C ASP A 87 -7.242 -3.707 -9.848 1.00 0.00 C ATOM 1332 O ASP A 87 -7.600 -2.532 -9.910 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.402 -4.593 -11.295 1.00 0.00 C ATOM 1334 CG ASP A 87 -5.968 -3.722 -12.399 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -5.446 -2.606 -12.600 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -6.933 -4.156 -13.063 1.00 0.00 O ATOM 0 H ASP A 87 -4.938 -5.890 -9.248 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.175 -3.182 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.317 -4.640 -11.393 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.777 -5.610 -11.410 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.095 -4.720 -9.734 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.535 -4.502 -9.674 1.00 0.00 C ATOM 1343 C GLN A 88 -9.927 -3.802 -8.377 1.00 0.00 C ATOM 1344 O GLN A 88 -11.000 -3.206 -8.281 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.279 -5.833 -9.794 1.00 0.00 C ATOM 1346 CG GLN A 88 -9.925 -6.618 -11.047 1.00 0.00 C ATOM 1347 CD GLN A 88 -10.701 -6.156 -12.264 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -11.704 -6.761 -12.642 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -10.239 -5.077 -12.887 1.00 0.00 N ATOM 0 H GLN A 88 -7.814 -5.699 -9.681 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.815 -3.861 -10.510 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.058 -6.443 -8.918 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.352 -5.642 -9.786 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.857 -6.520 -11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.122 -7.676 -10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.404 -4.606 -12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.720 -4.720 -13.713 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.050 -3.878 -7.382 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.304 -3.252 -6.089 1.00 0.00 C ATOM 1360 C LEU A 89 -8.785 -1.818 -6.067 1.00 0.00 C ATOM 1361 O LEU A 89 -9.380 -0.941 -5.440 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.647 -4.061 -4.970 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.539 -3.366 -3.613 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.558 -4.388 -2.486 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.277 -2.519 -3.546 1.00 0.00 C ATOM 0 H LEU A 89 -8.157 -4.367 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.382 -3.232 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.210 -4.985 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.644 -4.342 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.400 -2.709 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.480 -3.874 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.491 -4.951 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.717 -5.072 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.217 -2.032 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.404 -3.156 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.305 -1.762 -4.330 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.673 -1.586 -6.758 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.076 -0.258 -6.820 1.00 0.00 C ATOM 1379 C ILE A 90 -7.921 0.685 -7.670 1.00 0.00 C ATOM 1380 O ILE A 90 -8.181 1.823 -7.280 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.648 -0.309 -7.394 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.747 -1.166 -6.503 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.083 1.097 -7.533 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.446 -0.535 -5.162 1.00 0.00 C ATOM 0 H ILE A 90 -7.168 -2.301 -7.282 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.034 0.118 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.686 -0.764 -8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.224 -2.133 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.809 -1.356 -7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.073 1.045 -7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.715 1.678 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.056 1.576 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.803 -1.198 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.941 0.419 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.377 -0.370 -4.620 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.348 0.203 -8.833 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.164 1.003 -9.738 1.00 0.00 C ATOM 1398 C GLU A 91 -10.455 1.448 -9.056 1.00 0.00 C ATOM 1399 O GLU A 91 -10.949 2.550 -9.297 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.491 0.208 -11.004 1.00 0.00 C ATOM 1401 CG GLU A 91 -10.069 -1.169 -10.725 1.00 0.00 C ATOM 1402 CD GLU A 91 -11.583 -1.160 -10.638 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -12.164 -0.059 -10.537 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -12.186 -2.253 -10.670 1.00 0.00 O ATOM 0 H GLU A 91 -8.142 -0.737 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.593 1.890 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.201 0.775 -11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.584 0.099 -11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.758 -1.856 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.657 -1.549 -9.790 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.996 0.583 -8.205 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.230 0.886 -7.489 1.00 0.00 C ATOM 1413 C PHE A 92 -11.971 1.865 -6.348 1.00 0.00 C ATOM 1414 O PHE A 92 -12.787 2.744 -6.073 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.855 -0.400 -6.942 1.00 0.00 C ATOM 1416 CG PHE A 92 -14.097 -0.164 -6.131 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -14.017 0.077 -4.769 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -15.346 -0.182 -6.732 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -15.159 0.293 -4.021 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -16.491 0.034 -5.989 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.398 0.273 -4.632 1.00 0.00 C ATOM 0 H PHE A 92 -10.600 -0.333 -7.994 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.924 1.350 -8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.095 -1.061 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.121 -0.918 -6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.051 0.096 -4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.425 -0.367 -7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.083 0.477 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -17.458 0.016 -6.469 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.292 0.444 -4.050 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.830 1.705 -5.687 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.463 2.572 -4.573 1.00 0.00 C ATOM 1433 C TYR A 93 -10.212 3.998 -5.053 1.00 0.00 C ATOM 1434 O TYR A 93 -10.560 4.965 -4.375 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.218 2.032 -3.868 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.512 0.927 -2.880 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.482 -0.031 -3.147 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -8.820 0.841 -1.678 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.754 -1.042 -2.246 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.085 -0.168 -0.772 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.054 -1.106 -1.060 1.00 0.00 C ATOM 1442 OH TYR A 93 -10.321 -2.113 -0.161 1.00 0.00 O ATOM 0 H TYR A 93 -10.143 0.983 -5.903 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.294 2.587 -3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.519 1.661 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.722 2.851 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.033 0.016 -4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.062 1.575 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.511 -1.779 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.536 -0.222 0.157 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.624 -2.910 -0.643 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.606 4.122 -6.229 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.309 5.428 -6.803 1.00 0.00 C ATOM 1454 C LYS A 94 -10.401 6.435 -6.458 1.00 0.00 C ATOM 1455 O LYS A 94 -10.127 7.617 -6.249 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.163 5.319 -8.323 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.870 4.655 -8.764 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.419 5.160 -10.124 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.425 4.208 -10.771 1.00 0.00 C ATOM 1460 NZ LYS A 94 -6.382 4.372 -12.250 1.00 0.00 N ATOM 0 H LYS A 94 -9.311 3.332 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.368 5.778 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.006 4.754 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.215 6.317 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.091 4.848 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.010 3.575 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.286 5.280 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.964 6.144 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.432 4.383 -10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.695 3.180 -10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.693 3.706 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.323 4.180 -12.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.100 5.345 -12.483 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.640 5.960 -6.399 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.775 6.818 -6.076 1.00 0.00 C ATOM 1476 C LYS A 95 -12.683 7.324 -4.640 1.00 0.00 C ATOM 1477 O LYS A 95 -12.400 6.558 -3.720 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.088 6.058 -6.277 1.00 0.00 C ATOM 1479 CG LYS A 95 -15.260 6.955 -6.635 1.00 0.00 C ATOM 1480 CD LYS A 95 -15.970 7.467 -5.393 1.00 0.00 C ATOM 1481 CE LYS A 95 -17.049 6.500 -4.929 1.00 0.00 C ATOM 1482 NZ LYS A 95 -17.247 6.556 -3.454 1.00 0.00 N ATOM 0 H LYS A 95 -11.885 4.985 -6.571 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.752 7.677 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.953 5.318 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.325 5.511 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -14.906 7.799 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.965 6.403 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.245 7.615 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.417 8.439 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.988 6.735 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.777 5.486 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.990 5.883 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.358 6.307 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.531 7.518 -3.178 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.333 5.440 3.091 1.00 0.00 N ATOM 1550 CA LEU A 100 -7.933 5.851 3.081 1.00 0.00 C ATOM 1551 C LEU A 100 -7.795 7.324 3.449 1.00 0.00 C ATOM 1552 O LEU A 100 -8.760 8.085 3.381 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.317 5.597 1.704 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.326 4.147 1.221 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.924 4.069 -0.244 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -6.401 3.294 2.076 1.00 0.00 C ATOM 0 HA LEU A 100 -7.401 5.259 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.849 6.206 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.285 5.947 1.720 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.340 3.758 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.936 3.029 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.627 4.646 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.921 4.476 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.420 2.265 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.384 3.682 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.735 3.323 3.113 1.00 0.00 H new ATOM 1568 N VAL A 101 -6.587 7.721 3.838 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.321 9.105 4.213 1.00 0.00 C ATOM 1570 C VAL A 101 -6.527 10.045 3.031 1.00 0.00 C ATOM 1571 O VAL A 101 -6.924 11.198 3.201 1.00 0.00 O ATOM 1572 CB VAL A 101 -4.886 9.276 4.747 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -3.875 9.111 3.623 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.728 10.629 5.424 1.00 0.00 C ATOM 0 H VAL A 101 -5.777 7.104 3.902 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.028 9.360 5.003 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.698 8.500 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.867 9.235 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.974 8.117 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.058 9.863 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.709 10.733 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.935 11.422 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.427 10.703 6.257 1.00 0.00 H new ATOM 1584 N THR A 102 -6.255 9.544 1.829 1.00 0.00 N ATOM 1585 CA THR A 102 -6.409 10.339 0.618 1.00 0.00 C ATOM 1586 C THR A 102 -6.705 9.453 -0.587 1.00 0.00 C ATOM 1587 O THR A 102 -6.137 8.369 -0.727 1.00 0.00 O ATOM 1588 CB THR A 102 -5.148 11.174 0.329 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.284 11.849 -0.927 1.00 0.00 O ATOM 1590 CG2 THR A 102 -3.908 10.293 0.305 1.00 0.00 C ATOM 0 H THR A 102 -5.927 8.591 1.669 1.00 0.00 H new ATOM 0 HA THR A 102 -7.250 11.012 0.787 1.00 0.00 H new ATOM 0 HB THR A 102 -5.036 11.909 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.479 12.379 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.030 10.906 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.790 9.804 1.272 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.014 9.537 -0.473 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.596 9.920 -1.456 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.965 9.169 -2.650 1.00 0.00 C ATOM 1600 C HIS A 103 -6.780 9.044 -3.602 1.00 0.00 C ATOM 1601 O HIS A 103 -6.135 10.038 -3.942 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.136 9.847 -3.362 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.736 11.044 -4.168 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.525 10.998 -5.530 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -8.508 12.326 -3.797 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.184 12.200 -5.961 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.167 13.024 -4.929 1.00 0.00 N ATOM 0 H HIS A 103 -8.075 10.815 -1.355 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.267 8.168 -2.341 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.620 9.123 -4.018 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.875 10.149 -2.620 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.581 12.725 -2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.958 12.464 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.938 14.017 -4.967 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.496 7.819 -4.028 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.387 7.563 -4.941 1.00 0.00 C ATOM 1618 C LEU A 104 -5.344 8.607 -6.052 1.00 0.00 C ATOM 1619 O LEU A 104 -6.261 8.695 -6.869 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.509 6.163 -5.545 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.791 5.029 -4.559 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.335 3.697 -5.133 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -5.109 5.300 -3.226 1.00 0.00 C ATOM 0 H LEU A 104 -7.018 6.986 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.459 7.626 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.306 6.178 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.584 5.936 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.867 4.979 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.544 2.902 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.870 3.499 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.264 3.734 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.320 4.483 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.032 5.378 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.485 6.234 -2.808 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.274 9.395 -6.077 1.00 0.00 N ATOM 1636 CA GLN A 105 -4.112 10.431 -7.090 1.00 0.00 C ATOM 1637 C GLN A 105 -3.224 9.945 -8.230 1.00 0.00 C ATOM 1638 O GLN A 105 -3.647 9.902 -9.385 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.516 11.694 -6.466 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.505 12.482 -5.622 1.00 0.00 C ATOM 1641 CD GLN A 105 -3.946 13.811 -5.154 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -2.979 14.324 -5.719 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.551 14.376 -4.117 1.00 0.00 N ATOM 0 H GLN A 105 -3.507 9.336 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.096 10.664 -7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.664 11.415 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.136 12.337 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.412 12.658 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.791 11.887 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.349 13.916 -3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.218 15.271 -3.758 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.991 9.579 -7.897 1.00 0.00 N ATOM 1653 CA TYR A 106 -1.041 9.098 -8.894 1.00 0.00 C ATOM 1654 C TYR A 106 -0.332 7.839 -8.407 1.00 0.00 C ATOM 1655 O TYR A 106 0.287 7.815 -7.343 1.00 0.00 O ATOM 1656 CB TYR A 106 -0.013 10.184 -9.216 1.00 0.00 C ATOM 1657 CG TYR A 106 -0.548 11.590 -9.058 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.544 12.221 -7.820 1.00 0.00 C ATOM 1659 CD2 TYR A 106 -1.058 12.287 -10.146 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.032 13.505 -7.671 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -1.546 13.571 -10.007 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.531 14.176 -8.767 1.00 0.00 C ATOM 1663 OH TYR A 106 -2.018 15.455 -8.624 1.00 0.00 O ATOM 0 H TYR A 106 -1.626 9.606 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.596 8.853 -9.800 1.00 0.00 H new ATOM 0 HB2 TYR A 106 0.852 10.058 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.336 10.050 -10.240 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.153 11.699 -6.959 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.073 11.816 -11.118 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.023 13.980 -6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.937 14.099 -10.864 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.331 15.785 -9.492 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.421 6.764 -9.206 1.00 0.00 N ATOM 1674 CA PRO A 107 0.206 5.481 -8.879 1.00 0.00 C ATOM 1675 C PRO A 107 1.728 5.540 -8.966 1.00 0.00 C ATOM 1676 O PRO A 107 2.303 5.415 -10.047 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.353 4.531 -9.941 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.705 5.413 -11.089 1.00 0.00 C ATOM 1679 CD PRO A 107 -1.142 6.721 -10.489 1.00 0.00 C ATOM 0 HA PRO A 107 -0.009 5.172 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.384 3.781 -10.229 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.227 3.994 -9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.151 5.553 -11.750 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.502 4.973 -11.689 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.878 7.564 -11.127 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -2.222 6.756 -10.345 1.00 0.00 H new ATOM 1687 N VAL A 108 2.374 5.733 -7.821 1.00 0.00 N ATOM 1688 CA VAL A 108 3.829 5.807 -7.768 1.00 0.00 C ATOM 1689 C VAL A 108 4.467 4.690 -8.586 1.00 0.00 C ATOM 1690 O VAL A 108 4.080 3.525 -8.499 1.00 0.00 O ATOM 1691 CB VAL A 108 4.343 5.724 -6.318 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.863 5.770 -6.287 1.00 0.00 C ATOM 1693 CG2 VAL A 108 3.751 6.846 -5.478 1.00 0.00 C ATOM 0 H VAL A 108 1.913 5.841 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 108 4.112 6.771 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 108 4.023 4.773 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.208 5.710 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.264 4.929 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.208 6.704 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.125 6.772 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.039 7.808 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.664 6.763 -5.474 1.00 0.00 H new ATOM 1703 N PRO A 109 5.470 5.052 -9.400 1.00 0.00 N ATOM 1704 CA PRO A 109 6.184 4.094 -10.250 1.00 0.00 C ATOM 1705 C PRO A 109 7.055 3.139 -9.441 1.00 0.00 C ATOM 1706 O PRO A 109 7.219 3.305 -8.232 1.00 0.00 O ATOM 1707 CB PRO A 109 7.053 4.987 -11.139 1.00 0.00 C ATOM 1708 CG PRO A 109 7.247 6.234 -10.347 1.00 0.00 C ATOM 1709 CD PRO A 109 5.984 6.423 -9.554 1.00 0.00 C ATOM 0 HA PRO A 109 5.500 3.453 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 109 8.006 4.511 -11.368 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.564 5.194 -12.091 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.111 6.147 -9.689 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.428 7.087 -11.001 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.182 6.889 -8.589 1.00 0.00 H new ATOM 0 HD3 PRO A 109 5.273 7.062 -10.077 1.00 0.00 H new ATOM 1717 N LEU A 110 7.612 2.139 -10.115 1.00 0.00 N ATOM 1718 CA LEU A 110 8.468 1.157 -9.459 1.00 0.00 C ATOM 1719 C LEU A 110 9.910 1.649 -9.392 1.00 0.00 C ATOM 1720 O LEU A 110 10.218 2.757 -9.830 1.00 0.00 O ATOM 1721 CB LEU A 110 8.407 -0.179 -10.202 1.00 0.00 C ATOM 1722 CG LEU A 110 7.051 -0.885 -10.204 1.00 0.00 C ATOM 1723 CD1 LEU A 110 7.040 -2.018 -11.219 1.00 0.00 C ATOM 1724 CD2 LEU A 110 6.721 -1.410 -8.814 1.00 0.00 C ATOM 0 H LEU A 110 7.486 1.987 -11.116 1.00 0.00 H new ATOM 0 HA LEU A 110 8.104 1.017 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.708 -0.011 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.143 -0.851 -9.761 1.00 0.00 H new ATOM 0 HG LEU A 110 6.287 -0.161 -10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.067 -2.509 -11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.231 -1.617 -12.214 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.815 -2.742 -10.965 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.752 -1.910 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.488 -2.118 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.686 -0.579 -8.110 1.00 0.00 H new