USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 755 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 69 SER OG : rot 150:sc= -0.0741 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.931! K(o=-1!,f=-0.082) USER MOD Set 2.1: A 47 TYR OH : rot -35:sc= 1.53 USER MOD Set 2.2: A 101 TYR OH : rot -125:sc= 0.969 USER MOD Set 3.1: A 21 ASN : amide:sc= 1.9 K(o=2.7,f=-3.4!) USER MOD Set 3.2: A 23 THR OG1 : rot 95:sc= 0.783 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 16 GLN : amide:sc= -3.64! C(o=-3.6!,f=-2.2!) USER MOD Single : A 18 SER OG : rot -21:sc= 0.188 USER MOD Single : A 19 GLN : amide:sc= -1.22! X(o=-1.2!,f=-1.4) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -0.0241 (180deg=-2.33!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 1.56 (180deg=1.55) USER MOD Single : A 41 THR OG1 : rot 119:sc= 1.89 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 73:sc= -0.585! USER MOD Single : A 53 TYR OH : rot -25:sc= 0.469 USER MOD Single : A 54 SER OG : rot -160:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.235 (180deg=-0.363) USER MOD Single : A 62 SER OG : rot 114:sc= 0.939 USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= 1.21 (180deg=1.05) USER MOD Single : A 68 MET CE :methyl -164:sc= -0.103 (180deg=-0.415) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.817 USER MOD Single : A 78 SER OG : rot 131:sc= 0.982 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 1.21 K(o=1.2,f=-0.082) USER MOD Single : A 89 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -15.148 1.835 6.992 1.00 0.00 N ATOM 136 CA LEU A 9 -13.873 1.705 6.322 1.00 0.00 C ATOM 137 C LEU A 9 -14.100 0.604 5.325 1.00 0.00 C ATOM 138 O LEU A 9 -15.228 0.116 5.231 1.00 0.00 O ATOM 139 CB LEU A 9 -12.734 1.295 7.325 1.00 0.00 C ATOM 140 CG LEU A 9 -12.617 -0.202 7.773 1.00 0.00 C ATOM 141 CD1 LEU A 9 -11.546 -0.373 8.834 1.00 0.00 C ATOM 142 CD2 LEU A 9 -13.938 -0.806 8.230 1.00 0.00 C ATOM 0 HA LEU A 9 -13.553 2.643 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.782 1.579 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.855 1.899 8.224 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.322 -0.758 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.487 -1.422 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.584 -0.053 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.797 0.232 9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.781 -1.843 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.322 -0.241 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.658 -0.766 7.413 1.00 0.00 H new ATOM 154 N GLU A 10 -13.127 0.207 4.585 1.00 0.00 N ATOM 155 CA GLU A 10 -13.360 -0.931 3.765 1.00 0.00 C ATOM 156 C GLU A 10 -12.186 -1.858 3.798 1.00 0.00 C ATOM 157 O GLU A 10 -11.027 -1.416 3.803 1.00 0.00 O ATOM 158 CB GLU A 10 -13.731 -0.554 2.340 1.00 0.00 C ATOM 159 CG GLU A 10 -14.331 -1.707 1.567 1.00 0.00 C ATOM 160 CD GLU A 10 -14.774 -1.327 0.170 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.883 -0.778 0.017 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.044 -1.578 -0.788 1.00 0.00 O ATOM 0 H GLU A 10 -12.200 0.629 4.528 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.221 -1.455 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.441 0.273 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.842 -0.197 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.599 -2.512 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.186 -2.098 2.118 1.00 0.00 H new ATOM 169 N GLU A 11 -12.469 -3.117 3.890 1.00 0.00 N ATOM 170 CA GLU A 11 -11.511 -4.100 3.780 1.00 0.00 C ATOM 171 C GLU A 11 -11.320 -4.430 2.340 1.00 0.00 C ATOM 172 O GLU A 11 -12.280 -4.723 1.600 1.00 0.00 O ATOM 173 CB GLU A 11 -11.917 -5.308 4.553 1.00 0.00 C ATOM 174 CG GLU A 11 -11.013 -6.473 4.336 1.00 0.00 C ATOM 175 CD GLU A 11 -11.309 -7.576 5.309 1.00 0.00 C ATOM 176 OE1 GLU A 11 -10.903 -7.464 6.479 1.00 0.00 O ATOM 177 OE2 GLU A 11 -11.965 -8.564 4.930 1.00 0.00 O ATOM 0 H GLU A 11 -13.412 -3.472 4.049 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.568 -3.743 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.935 -5.063 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.933 -5.587 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.129 -6.842 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.975 -6.157 4.444 1.00 0.00 H new ATOM 184 N PHE A 12 -10.126 -4.357 1.946 1.00 0.00 N ATOM 185 CA PHE A 12 -9.750 -4.615 0.635 1.00 0.00 C ATOM 186 C PHE A 12 -8.865 -5.789 0.565 1.00 0.00 C ATOM 187 O PHE A 12 -8.009 -5.927 1.378 1.00 0.00 O ATOM 188 CB PHE A 12 -8.970 -3.478 0.129 1.00 0.00 C ATOM 189 CG PHE A 12 -9.715 -2.200 -0.108 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.355 -1.965 -1.308 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.771 -1.225 0.875 1.00 0.00 C ATOM 192 CE1 PHE A 12 -11.038 -0.785 -1.523 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.450 -0.045 0.666 1.00 0.00 C ATOM 194 CZ PHE A 12 -11.086 0.175 -0.535 1.00 0.00 C ATOM 0 H PHE A 12 -9.349 -4.104 2.556 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.656 -4.786 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.166 -3.276 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.502 -3.777 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.321 -2.712 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.275 -1.393 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.535 -0.614 -2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.483 0.705 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.621 1.098 -0.703 1.00 0.00 H new ATOM 204 N THR A 13 -9.040 -6.617 -0.400 1.00 0.00 N ATOM 205 CA THR A 13 -8.150 -7.710 -0.562 1.00 0.00 C ATOM 206 C THR A 13 -7.076 -7.298 -1.582 1.00 0.00 C ATOM 207 O THR A 13 -7.351 -6.490 -2.445 1.00 0.00 O ATOM 208 CB THR A 13 -8.895 -8.952 -1.035 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.078 -9.147 -0.228 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.009 -10.152 -0.879 1.00 0.00 C ATOM 0 H THR A 13 -9.790 -6.560 -1.089 1.00 0.00 H new ATOM 0 HA THR A 13 -7.686 -7.958 0.393 1.00 0.00 H new ATOM 0 HB THR A 13 -9.176 -8.823 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.556 -9.945 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.539 -11.042 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.107 -10.019 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.736 -10.269 0.170 1.00 0.00 H new ATOM 218 N ALA A 14 -5.876 -7.860 -1.469 1.00 0.00 N ATOM 219 CA ALA A 14 -4.722 -7.488 -2.311 1.00 0.00 C ATOM 220 C ALA A 14 -5.032 -7.522 -3.806 1.00 0.00 C ATOM 221 O ALA A 14 -4.691 -6.592 -4.533 1.00 0.00 O ATOM 222 CB ALA A 14 -3.542 -8.389 -2.005 1.00 0.00 C ATOM 0 H ALA A 14 -5.666 -8.591 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.477 -6.455 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.696 -8.106 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.267 -8.285 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.813 -9.425 -2.208 1.00 0.00 H new ATOM 228 N GLU A 15 -5.700 -8.569 -4.252 1.00 0.00 N ATOM 229 CA GLU A 15 -6.036 -8.707 -5.663 1.00 0.00 C ATOM 230 C GLU A 15 -7.071 -7.673 -6.085 1.00 0.00 C ATOM 231 O GLU A 15 -7.047 -7.185 -7.203 1.00 0.00 O ATOM 232 CB GLU A 15 -6.532 -10.111 -5.961 1.00 0.00 C ATOM 233 CG GLU A 15 -5.515 -11.193 -5.644 1.00 0.00 C ATOM 234 CD GLU A 15 -6.003 -12.568 -6.001 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.836 -13.122 -5.263 1.00 0.00 O ATOM 236 OE2 GLU A 15 -5.574 -13.109 -7.034 1.00 0.00 O ATOM 0 H GLU A 15 -6.022 -9.337 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.129 -8.531 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.439 -10.297 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.803 -10.176 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.591 -10.988 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.276 -11.161 -4.581 1.00 0.00 H new ATOM 243 N GLN A 16 -7.963 -7.346 -5.172 1.00 0.00 N ATOM 244 CA GLN A 16 -9.014 -6.363 -5.405 1.00 0.00 C ATOM 245 C GLN A 16 -8.468 -4.939 -5.344 1.00 0.00 C ATOM 246 O GLN A 16 -8.904 -4.060 -6.088 1.00 0.00 O ATOM 247 CB GLN A 16 -10.168 -6.543 -4.403 1.00 0.00 C ATOM 248 CG GLN A 16 -11.100 -7.735 -4.664 1.00 0.00 C ATOM 249 CD GLN A 16 -10.432 -9.091 -4.645 1.00 0.00 C ATOM 250 OE1 GLN A 16 -9.961 -9.576 -5.669 1.00 0.00 O ATOM 251 NE2 GLN A 16 -10.420 -9.724 -3.514 1.00 0.00 N ATOM 0 H GLN A 16 -7.983 -7.756 -4.238 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.402 -6.530 -6.410 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.744 -6.650 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.767 -5.632 -4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.892 -7.727 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.578 -7.597 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.821 -9.290 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.010 -10.656 -3.456 1.00 0.00 H new ATOM 260 N LEU A 17 -7.491 -4.744 -4.475 1.00 0.00 N ATOM 261 CA LEU A 17 -6.853 -3.452 -4.225 1.00 0.00 C ATOM 262 C LEU A 17 -6.194 -2.963 -5.531 1.00 0.00 C ATOM 263 O LEU A 17 -6.160 -1.775 -5.820 1.00 0.00 O ATOM 264 CB LEU A 17 -5.773 -3.650 -3.116 1.00 0.00 C ATOM 265 CG LEU A 17 -5.305 -2.423 -2.270 1.00 0.00 C ATOM 266 CD1 LEU A 17 -4.805 -1.289 -3.079 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.371 -1.956 -1.341 1.00 0.00 C ATOM 0 H LEU A 17 -7.105 -5.497 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.583 -2.712 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.152 -4.400 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.889 -4.074 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.459 -2.791 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.500 -0.477 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.951 -1.614 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.596 -0.939 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.007 -1.102 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.250 -1.662 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.637 -2.762 -0.657 1.00 0.00 H new ATOM 279 N SER A 18 -5.728 -3.912 -6.331 1.00 0.00 N ATOM 280 CA SER A 18 -5.028 -3.634 -7.578 1.00 0.00 C ATOM 281 C SER A 18 -5.887 -2.853 -8.589 1.00 0.00 C ATOM 282 O SER A 18 -5.363 -2.197 -9.489 1.00 0.00 O ATOM 283 CB SER A 18 -4.531 -4.941 -8.168 1.00 0.00 C ATOM 284 OG SER A 18 -3.703 -5.611 -7.219 1.00 0.00 O ATOM 0 H SER A 18 -5.826 -4.907 -6.131 1.00 0.00 H new ATOM 0 HA SER A 18 -4.181 -2.985 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.376 -5.574 -8.439 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.971 -4.749 -9.083 1.00 0.00 H new ATOM 0 HG SER A 18 -3.366 -4.964 -6.564 1.00 0.00 H new ATOM 290 N GLN A 19 -7.192 -2.889 -8.414 1.00 0.00 N ATOM 291 CA GLN A 19 -8.102 -2.187 -9.307 1.00 0.00 C ATOM 292 C GLN A 19 -8.198 -0.713 -8.950 1.00 0.00 C ATOM 293 O GLN A 19 -8.833 0.071 -9.654 1.00 0.00 O ATOM 294 CB GLN A 19 -9.488 -2.832 -9.304 1.00 0.00 C ATOM 295 CG GLN A 19 -9.595 -4.165 -10.048 1.00 0.00 C ATOM 296 CD GLN A 19 -8.657 -5.241 -9.560 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.538 -5.378 -10.048 1.00 0.00 O ATOM 298 NE2 GLN A 19 -9.094 -6.007 -8.621 1.00 0.00 N ATOM 0 H GLN A 19 -7.652 -3.398 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.694 -2.265 -10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.795 -2.987 -8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.197 -2.131 -9.745 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.619 -4.530 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.405 -3.990 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.029 -5.864 -8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.505 -6.757 -8.259 1.00 0.00 H new ATOM 307 N TYR A 20 -7.561 -0.347 -7.876 1.00 0.00 N ATOM 308 CA TYR A 20 -7.552 1.023 -7.392 1.00 0.00 C ATOM 309 C TYR A 20 -6.202 1.670 -7.644 1.00 0.00 C ATOM 310 O TYR A 20 -5.860 2.649 -7.014 1.00 0.00 O ATOM 311 CB TYR A 20 -7.866 1.041 -5.893 1.00 0.00 C ATOM 312 CG TYR A 20 -9.217 0.472 -5.558 1.00 0.00 C ATOM 313 CD1 TYR A 20 -9.371 -0.876 -5.302 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.341 1.283 -5.508 1.00 0.00 C ATOM 315 CE1 TYR A 20 -10.597 -1.407 -5.007 1.00 0.00 C ATOM 316 CE2 TYR A 20 -11.578 0.758 -5.211 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.697 -0.588 -4.962 1.00 0.00 C ATOM 318 OH TYR A 20 -12.916 -1.118 -4.678 1.00 0.00 O ATOM 0 H TYR A 20 -7.023 -0.992 -7.297 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.312 1.589 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.100 0.475 -5.362 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.813 2.068 -5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.507 -1.524 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.244 2.341 -5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.698 -2.464 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.447 1.398 -5.174 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.591 -0.407 -4.683 1.00 0.00 H new ATOM 328 N ASN A 21 -5.458 1.141 -8.615 1.00 0.00 N ATOM 329 CA ASN A 21 -4.123 1.677 -8.917 1.00 0.00 C ATOM 330 C ASN A 21 -4.207 3.064 -9.569 1.00 0.00 C ATOM 331 O ASN A 21 -3.222 3.803 -9.617 1.00 0.00 O ATOM 332 CB ASN A 21 -3.275 0.724 -9.787 1.00 0.00 C ATOM 333 CG ASN A 21 -3.804 0.551 -11.197 1.00 0.00 C ATOM 334 OD1 ASN A 21 -3.473 1.319 -12.076 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.584 -0.471 -11.432 1.00 0.00 N ATOM 0 H ASN A 21 -5.746 0.356 -9.199 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.616 1.773 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.254 1.103 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.230 -0.252 -9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.932 -0.641 -12.376 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.845 -1.099 -10.672 1.00 0.00 H new ATOM 342 N GLY A 22 -5.370 3.392 -10.112 1.00 0.00 N ATOM 343 CA GLY A 22 -5.598 4.721 -10.642 1.00 0.00 C ATOM 344 C GLY A 22 -5.734 4.762 -12.133 1.00 0.00 C ATOM 345 O GLY A 22 -6.022 5.810 -12.710 1.00 0.00 O ATOM 0 H GLY A 22 -6.164 2.758 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.502 5.131 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.773 5.367 -10.344 1.00 0.00 H new ATOM 349 N THR A 23 -5.551 3.642 -12.755 1.00 0.00 N ATOM 350 CA THR A 23 -5.652 3.541 -14.194 1.00 0.00 C ATOM 351 C THR A 23 -7.103 3.178 -14.604 1.00 0.00 C ATOM 352 O THR A 23 -7.437 3.022 -15.791 1.00 0.00 O ATOM 353 CB THR A 23 -4.594 2.533 -14.712 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.282 2.987 -14.307 1.00 0.00 O ATOM 355 CG2 THR A 23 -4.611 2.366 -16.223 1.00 0.00 C ATOM 0 H THR A 23 -5.326 2.764 -12.288 1.00 0.00 H new ATOM 0 HA THR A 23 -5.436 4.501 -14.662 1.00 0.00 H new ATOM 0 HB THR A 23 -4.837 1.562 -14.280 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.028 2.546 -13.469 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.847 1.647 -16.518 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.590 2.005 -16.538 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.409 3.326 -16.697 1.00 0.00 H new ATOM 363 N ASP A 24 -7.957 3.085 -13.610 1.00 0.00 N ATOM 364 CA ASP A 24 -9.383 2.889 -13.814 1.00 0.00 C ATOM 365 C ASP A 24 -9.943 4.200 -14.381 1.00 0.00 C ATOM 366 O ASP A 24 -9.194 5.176 -14.564 1.00 0.00 O ATOM 367 CB ASP A 24 -10.059 2.551 -12.473 1.00 0.00 C ATOM 368 CG ASP A 24 -11.493 2.080 -12.614 1.00 0.00 C ATOM 369 OD1 ASP A 24 -12.409 2.901 -12.639 1.00 0.00 O ATOM 370 OD2 ASP A 24 -11.709 0.865 -12.658 1.00 0.00 O ATOM 0 H ASP A 24 -7.684 3.143 -12.629 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.572 2.065 -14.501 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.480 1.777 -11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.037 3.433 -11.833 1.00 0.00 H new ATOM 375 N GLU A 25 -11.217 4.280 -14.605 1.00 0.00 N ATOM 376 CA GLU A 25 -11.758 5.431 -15.155 1.00 0.00 C ATOM 377 C GLU A 25 -12.442 6.060 -14.054 1.00 0.00 C ATOM 378 O GLU A 25 -13.678 5.991 -13.931 1.00 0.00 O ATOM 379 CB GLU A 25 -12.693 5.189 -16.335 1.00 0.00 C ATOM 380 CG GLU A 25 -12.039 4.556 -17.543 1.00 0.00 C ATOM 381 CD GLU A 25 -12.993 4.455 -18.697 1.00 0.00 C ATOM 382 OE1 GLU A 25 -13.137 5.440 -19.445 1.00 0.00 O ATOM 383 OE2 GLU A 25 -13.634 3.393 -18.877 1.00 0.00 O ATOM 0 H GLU A 25 -11.889 3.539 -14.404 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.975 6.052 -15.590 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.512 4.550 -16.006 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.132 6.141 -16.634 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.171 5.145 -17.838 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.676 3.562 -17.282 1.00 0.00 H new ATOM 390 N SER A 26 -11.601 6.529 -13.151 1.00 0.00 N ATOM 391 CA SER A 26 -11.995 7.197 -11.981 1.00 0.00 C ATOM 392 C SER A 26 -12.354 6.301 -10.792 1.00 0.00 C ATOM 393 O SER A 26 -13.518 5.963 -10.562 1.00 0.00 O ATOM 394 CB SER A 26 -13.051 8.214 -12.257 1.00 0.00 C ATOM 395 OG SER A 26 -12.549 9.270 -13.062 1.00 0.00 O ATOM 0 H SER A 26 -10.589 6.438 -13.241 1.00 0.00 H new ATOM 0 HA SER A 26 -11.094 7.714 -11.651 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.894 7.740 -12.759 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.426 8.617 -11.316 1.00 0.00 H new ATOM 0 HG SER A 26 -13.262 9.921 -13.229 1.00 0.00 H new ATOM 401 N LYS A 27 -11.339 5.898 -10.076 1.00 0.00 N ATOM 402 CA LYS A 27 -11.476 5.243 -8.802 1.00 0.00 C ATOM 403 C LYS A 27 -10.406 5.760 -7.896 1.00 0.00 C ATOM 404 O LYS A 27 -9.348 6.174 -8.382 1.00 0.00 O ATOM 405 CB LYS A 27 -11.439 3.692 -8.839 1.00 0.00 C ATOM 406 CG LYS A 27 -12.661 3.029 -9.447 1.00 0.00 C ATOM 407 CD LYS A 27 -12.961 1.701 -8.731 1.00 0.00 C ATOM 408 CE LYS A 27 -11.848 0.667 -8.866 1.00 0.00 C ATOM 409 NZ LYS A 27 -11.832 0.006 -10.181 1.00 0.00 N ATOM 0 H LYS A 27 -10.370 6.019 -10.369 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.476 5.480 -8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.559 3.379 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.315 3.323 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.521 3.694 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.494 2.848 -10.509 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.134 1.900 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.884 1.283 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.887 1.152 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.964 -0.087 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.857 -0.266 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.431 -0.843 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.196 0.660 -10.903 1.00 0.00 H new ATOM 423 N PRO A 28 -10.663 5.788 -6.585 1.00 0.00 N ATOM 424 CA PRO A 28 -9.685 6.242 -5.609 1.00 0.00 C ATOM 425 C PRO A 28 -8.461 5.343 -5.614 1.00 0.00 C ATOM 426 O PRO A 28 -8.564 4.140 -5.878 1.00 0.00 O ATOM 427 CB PRO A 28 -10.431 6.148 -4.272 1.00 0.00 C ATOM 428 CG PRO A 28 -11.547 5.199 -4.521 1.00 0.00 C ATOM 429 CD PRO A 28 -11.925 5.379 -5.949 1.00 0.00 C ATOM 0 HA PRO A 28 -9.318 7.247 -5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.776 5.788 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.804 7.123 -3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.238 4.172 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.391 5.408 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.313 4.457 -6.382 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.699 6.137 -6.068 1.00 0.00 H new ATOM 437 N ILE A 29 -7.329 5.916 -5.332 1.00 0.00 N ATOM 438 CA ILE A 29 -6.090 5.194 -5.379 1.00 0.00 C ATOM 439 C ILE A 29 -5.716 4.800 -3.961 1.00 0.00 C ATOM 440 O ILE A 29 -5.779 5.639 -3.037 1.00 0.00 O ATOM 441 CB ILE A 29 -4.911 6.018 -6.035 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.225 6.497 -7.478 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.651 5.182 -6.079 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.266 7.582 -7.615 1.00 0.00 C ATOM 0 H ILE A 29 -7.237 6.896 -5.063 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.237 4.318 -6.011 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.778 6.900 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.299 6.854 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.551 5.635 -8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.846 5.760 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.367 4.898 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.831 4.284 -6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.396 7.830 -8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.213 7.231 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.941 8.469 -7.071 1.00 0.00 H new ATOM 456 N TYR A 30 -5.326 3.560 -3.768 1.00 0.00 N ATOM 457 CA TYR A 30 -5.055 3.077 -2.439 1.00 0.00 C ATOM 458 C TYR A 30 -3.703 2.408 -2.321 1.00 0.00 C ATOM 459 O TYR A 30 -3.350 1.557 -3.112 1.00 0.00 O ATOM 460 CB TYR A 30 -6.154 2.125 -1.961 1.00 0.00 C ATOM 461 CG TYR A 30 -7.514 2.767 -1.787 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.681 3.858 -0.950 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.627 2.283 -2.451 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.913 4.446 -0.779 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.868 2.866 -2.281 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.002 3.949 -1.442 1.00 0.00 C ATOM 467 OH TYR A 30 -11.245 4.537 -1.256 1.00 0.00 O ATOM 0 H TYR A 30 -5.191 2.874 -4.511 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.040 3.957 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.242 1.306 -2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.849 1.688 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.827 4.255 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.524 1.436 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.020 5.297 -0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.728 2.474 -2.803 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.913 4.068 -1.798 1.00 0.00 H new ATOM 477 N VAL A 31 -2.962 2.804 -1.318 1.00 0.00 N ATOM 478 CA VAL A 31 -1.667 2.216 -1.029 1.00 0.00 C ATOM 479 C VAL A 31 -1.730 1.591 0.329 1.00 0.00 C ATOM 480 O VAL A 31 -2.317 2.169 1.250 1.00 0.00 O ATOM 481 CB VAL A 31 -0.525 3.275 -1.057 1.00 0.00 C ATOM 482 CG1 VAL A 31 0.820 2.661 -0.695 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.430 3.869 -2.416 1.00 0.00 C ATOM 0 H VAL A 31 -3.235 3.545 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.443 1.475 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.765 4.041 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.591 3.431 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.769 2.238 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.064 1.874 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.369 4.610 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.215 3.085 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.375 4.349 -2.670 1.00 0.00 H new ATOM 493 N ALA A 32 -1.169 0.427 0.462 1.00 0.00 N ATOM 494 CA ALA A 32 -1.175 -0.241 1.711 1.00 0.00 C ATOM 495 C ALA A 32 0.227 -0.523 2.184 1.00 0.00 C ATOM 496 O ALA A 32 1.064 -1.033 1.432 1.00 0.00 O ATOM 497 CB ALA A 32 -1.971 -1.506 1.621 1.00 0.00 C ATOM 0 H ALA A 32 -0.700 -0.076 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.646 0.414 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.966 -2.008 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.997 -1.271 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.529 -2.161 0.870 1.00 0.00 H new ATOM 503 N ILE A 33 0.483 -0.152 3.405 1.00 0.00 N ATOM 504 CA ILE A 33 1.735 -0.431 4.063 1.00 0.00 C ATOM 505 C ILE A 33 1.377 -1.045 5.395 1.00 0.00 C ATOM 506 O ILE A 33 0.645 -0.423 6.181 1.00 0.00 O ATOM 507 CB ILE A 33 2.580 0.863 4.296 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.804 1.613 2.988 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.935 0.525 4.919 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.582 2.888 3.166 1.00 0.00 C ATOM 0 H ILE A 33 -0.181 0.362 3.985 1.00 0.00 H new ATOM 0 HA ILE A 33 2.342 -1.092 3.445 1.00 0.00 H new ATOM 0 HB ILE A 33 2.018 1.499 4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.334 0.965 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.838 1.843 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.504 1.442 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.781 0.030 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.487 -0.138 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.708 3.375 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.042 3.553 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.561 2.661 3.588 1.00 0.00 H new ATOM 522 N LYS A 34 1.832 -2.278 5.633 1.00 0.00 N ATOM 523 CA LYS A 34 1.505 -3.035 6.856 1.00 0.00 C ATOM 524 C LYS A 34 0.014 -3.330 6.923 1.00 0.00 C ATOM 525 O LYS A 34 -0.542 -3.582 7.992 1.00 0.00 O ATOM 526 CB LYS A 34 1.974 -2.286 8.102 1.00 0.00 C ATOM 527 CG LYS A 34 3.480 -2.224 8.226 1.00 0.00 C ATOM 528 CD LYS A 34 3.920 -1.290 9.331 1.00 0.00 C ATOM 529 CE LYS A 34 3.559 0.147 8.994 1.00 0.00 C ATOM 530 NZ LYS A 34 4.089 1.109 9.987 1.00 0.00 N ATOM 0 H LYS A 34 2.438 -2.784 4.987 1.00 0.00 H new ATOM 0 HA LYS A 34 2.035 -3.987 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.575 -1.272 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.562 -2.772 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.869 -3.224 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.908 -1.893 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.446 -1.579 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.997 -1.375 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.950 0.395 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.475 0.244 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.846 2.077 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.671 0.912 10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.123 1.014 10.045 1.00 0.00 H new ATOM 544 N GLY A 35 -0.612 -3.341 5.769 1.00 0.00 N ATOM 545 CA GLY A 35 -2.019 -3.609 5.676 1.00 0.00 C ATOM 546 C GLY A 35 -2.869 -2.377 5.847 1.00 0.00 C ATOM 547 O GLY A 35 -4.080 -2.429 5.650 1.00 0.00 O ATOM 0 H GLY A 35 -0.157 -3.164 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.234 -4.059 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.294 -4.341 6.435 1.00 0.00 H new ATOM 551 N ARG A 36 -2.251 -1.261 6.205 1.00 0.00 N ATOM 552 CA ARG A 36 -2.994 -0.045 6.407 1.00 0.00 C ATOM 553 C ARG A 36 -3.208 0.616 5.061 1.00 0.00 C ATOM 554 O ARG A 36 -2.255 1.058 4.429 1.00 0.00 O ATOM 555 CB ARG A 36 -2.253 0.926 7.355 1.00 0.00 C ATOM 556 CG ARG A 36 -1.808 0.314 8.682 1.00 0.00 C ATOM 557 CD ARG A 36 -1.228 1.372 9.631 1.00 0.00 C ATOM 558 NE ARG A 36 -2.269 2.290 10.136 1.00 0.00 N ATOM 559 CZ ARG A 36 -2.054 3.367 10.928 1.00 0.00 C ATOM 560 NH1 ARG A 36 -0.824 3.812 11.166 1.00 0.00 N ATOM 561 NH2 ARG A 36 -3.088 4.021 11.448 1.00 0.00 N ATOM 0 H ARG A 36 -1.246 -1.181 6.358 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.949 -0.290 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.376 1.316 6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.904 1.775 7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.657 -0.176 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.059 -0.456 8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.741 0.878 10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.461 1.945 9.110 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.233 2.096 9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.021 3.340 10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.683 4.625 11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.039 3.711 11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.930 4.833 12.045 1.00 0.00 H new ATOM 575 N VAL A 37 -4.435 0.633 4.610 1.00 0.00 N ATOM 576 CA VAL A 37 -4.773 1.266 3.357 1.00 0.00 C ATOM 577 C VAL A 37 -5.007 2.739 3.538 1.00 0.00 C ATOM 578 O VAL A 37 -5.894 3.159 4.291 1.00 0.00 O ATOM 579 CB VAL A 37 -5.976 0.581 2.648 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.544 1.469 1.559 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.501 -0.697 2.012 1.00 0.00 C ATOM 0 H VAL A 37 -5.226 0.211 5.096 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.913 1.140 2.699 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.750 0.389 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.384 0.965 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.885 2.408 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.772 1.674 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.336 -1.187 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.722 -0.473 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.100 -1.358 2.780 1.00 0.00 H new ATOM 591 N PHE A 38 -4.204 3.509 2.870 1.00 0.00 N ATOM 592 CA PHE A 38 -4.288 4.932 2.934 1.00 0.00 C ATOM 593 C PHE A 38 -4.902 5.430 1.643 1.00 0.00 C ATOM 594 O PHE A 38 -4.689 4.826 0.576 1.00 0.00 O ATOM 595 CB PHE A 38 -2.899 5.533 3.022 1.00 0.00 C ATOM 596 CG PHE A 38 -1.974 4.899 4.019 1.00 0.00 C ATOM 597 CD1 PHE A 38 -2.084 5.155 5.370 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.974 4.043 3.584 1.00 0.00 C ATOM 599 CE1 PHE A 38 -1.216 4.567 6.267 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.110 3.456 4.474 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.230 3.715 5.815 1.00 0.00 C ATOM 0 H PHE A 38 -3.465 3.161 2.259 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.879 5.214 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.436 5.475 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.996 6.591 3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.855 5.821 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.873 3.835 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.309 4.774 7.323 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.663 2.791 4.119 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.447 3.252 6.517 1.00 0.00 H new ATOM 611 N ASP A 39 -5.648 6.500 1.714 1.00 0.00 N ATOM 612 CA ASP A 39 -6.192 7.098 0.513 1.00 0.00 C ATOM 613 C ASP A 39 -5.182 8.053 -0.068 1.00 0.00 C ATOM 614 O ASP A 39 -4.932 9.131 0.482 1.00 0.00 O ATOM 615 CB ASP A 39 -7.521 7.821 0.765 1.00 0.00 C ATOM 616 CG ASP A 39 -8.071 8.480 -0.498 1.00 0.00 C ATOM 617 OD1 ASP A 39 -8.718 7.800 -1.311 1.00 0.00 O ATOM 618 OD2 ASP A 39 -7.862 9.690 -0.690 1.00 0.00 O ATOM 0 H ASP A 39 -5.895 6.976 2.582 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.401 6.294 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.252 7.109 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.379 8.579 1.535 1.00 0.00 H new ATOM 623 N VAL A 40 -4.573 7.649 -1.151 1.00 0.00 N ATOM 624 CA VAL A 40 -3.580 8.473 -1.813 1.00 0.00 C ATOM 625 C VAL A 40 -4.169 9.146 -3.023 1.00 0.00 C ATOM 626 O VAL A 40 -3.445 9.659 -3.870 1.00 0.00 O ATOM 627 CB VAL A 40 -2.307 7.690 -2.234 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.511 7.236 -1.040 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.650 6.502 -3.083 1.00 0.00 C ATOM 0 H VAL A 40 -4.744 6.750 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.275 9.217 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.698 8.380 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.628 6.692 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.202 8.104 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.125 6.583 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.736 5.977 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.299 5.830 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.164 6.835 -3.984 1.00 0.00 H new ATOM 639 N THR A 41 -5.485 9.184 -3.082 1.00 0.00 N ATOM 640 CA THR A 41 -6.189 9.810 -4.175 1.00 0.00 C ATOM 641 C THR A 41 -5.874 11.316 -4.214 1.00 0.00 C ATOM 642 O THR A 41 -5.860 11.937 -5.281 1.00 0.00 O ATOM 643 CB THR A 41 -7.700 9.583 -4.028 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.923 8.183 -3.834 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.434 10.021 -5.287 1.00 0.00 C ATOM 0 H THR A 41 -6.094 8.780 -2.371 1.00 0.00 H new ATOM 0 HA THR A 41 -5.859 9.361 -5.112 1.00 0.00 H new ATOM 0 HB THR A 41 -8.071 10.165 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.349 8.037 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.504 9.852 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.253 11.081 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.072 9.444 -6.138 1.00 0.00 H new ATOM 653 N THR A 42 -5.577 11.877 -3.046 1.00 0.00 N ATOM 654 CA THR A 42 -5.201 13.274 -2.925 1.00 0.00 C ATOM 655 C THR A 42 -3.867 13.538 -3.658 1.00 0.00 C ATOM 656 O THR A 42 -3.607 14.645 -4.146 1.00 0.00 O ATOM 657 CB THR A 42 -5.117 13.707 -1.420 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.747 15.090 -1.293 1.00 0.00 O ATOM 659 CG2 THR A 42 -4.139 12.832 -0.636 1.00 0.00 C ATOM 0 H THR A 42 -5.591 11.373 -2.159 1.00 0.00 H new ATOM 0 HA THR A 42 -5.974 13.880 -3.397 1.00 0.00 H new ATOM 0 HB THR A 42 -6.113 13.573 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.704 15.331 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.107 13.162 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.467 11.793 -0.677 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.144 12.916 -1.074 1.00 0.00 H new ATOM 667 N GLY A 43 -3.063 12.501 -3.768 1.00 0.00 N ATOM 668 CA GLY A 43 -1.811 12.587 -4.448 1.00 0.00 C ATOM 669 C GLY A 43 -1.817 11.676 -5.643 1.00 0.00 C ATOM 670 O GLY A 43 -0.849 10.955 -5.893 1.00 0.00 O ATOM 0 H GLY A 43 -3.270 11.579 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.628 13.614 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.001 12.311 -3.773 1.00 0.00 H new ATOM 674 N LYS A 44 -2.925 11.701 -6.383 1.00 0.00 N ATOM 675 CA LYS A 44 -3.132 10.878 -7.532 1.00 0.00 C ATOM 676 C LYS A 44 -2.000 11.025 -8.543 1.00 0.00 C ATOM 677 O LYS A 44 -1.618 10.055 -9.190 1.00 0.00 O ATOM 678 CB LYS A 44 -4.442 11.271 -8.173 1.00 0.00 C ATOM 679 CG LYS A 44 -4.791 10.471 -9.390 1.00 0.00 C ATOM 680 CD LYS A 44 -6.020 11.010 -10.069 1.00 0.00 C ATOM 681 CE LYS A 44 -7.278 10.937 -9.208 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.442 11.536 -9.903 1.00 0.00 N ATOM 0 H LYS A 44 -3.712 12.316 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.154 9.835 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.240 11.163 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.399 12.326 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.953 10.483 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.956 9.431 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.843 12.048 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.189 10.454 -10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.494 9.897 -8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.107 11.458 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.282 11.471 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.244 12.535 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.618 11.023 -10.790 1.00 0.00 H new ATOM 696 N SER A 45 -1.466 12.228 -8.658 1.00 0.00 N ATOM 697 CA SER A 45 -0.390 12.520 -9.586 1.00 0.00 C ATOM 698 C SER A 45 0.869 11.673 -9.299 1.00 0.00 C ATOM 699 O SER A 45 1.635 11.351 -10.209 1.00 0.00 O ATOM 700 CB SER A 45 -0.086 14.005 -9.539 1.00 0.00 C ATOM 701 OG SER A 45 -1.272 14.743 -9.794 1.00 0.00 O ATOM 0 H SER A 45 -1.768 13.032 -8.108 1.00 0.00 H new ATOM 0 HA SER A 45 -0.712 12.251 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.318 14.273 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.675 14.254 -10.278 1.00 0.00 H new ATOM 0 HG SER A 45 -1.074 15.702 -9.761 1.00 0.00 H new ATOM 707 N PHE A 46 1.047 11.279 -8.050 1.00 0.00 N ATOM 708 CA PHE A 46 2.191 10.468 -7.665 1.00 0.00 C ATOM 709 C PHE A 46 1.916 9.000 -7.955 1.00 0.00 C ATOM 710 O PHE A 46 2.751 8.291 -8.515 1.00 0.00 O ATOM 711 CB PHE A 46 2.481 10.603 -6.159 1.00 0.00 C ATOM 712 CG PHE A 46 2.833 11.977 -5.667 1.00 0.00 C ATOM 713 CD1 PHE A 46 1.846 12.907 -5.390 1.00 0.00 C ATOM 714 CD2 PHE A 46 4.154 12.326 -5.453 1.00 0.00 C ATOM 715 CE1 PHE A 46 2.168 14.159 -4.913 1.00 0.00 C ATOM 716 CE2 PHE A 46 4.485 13.579 -4.978 1.00 0.00 C ATOM 717 CZ PHE A 46 3.491 14.495 -4.708 1.00 0.00 C ATOM 0 H PHE A 46 0.414 11.507 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 46 3.048 10.819 -8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.605 10.258 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.300 9.930 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.810 12.648 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.936 11.610 -5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.388 14.875 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.520 13.841 -4.818 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.747 15.476 -4.336 1.00 0.00 H new ATOM 727 N TYR A 47 0.744 8.546 -7.556 1.00 0.00 N ATOM 728 CA TYR A 47 0.415 7.141 -7.634 1.00 0.00 C ATOM 729 C TYR A 47 -0.390 6.774 -8.891 1.00 0.00 C ATOM 730 O TYR A 47 0.137 6.141 -9.810 1.00 0.00 O ATOM 731 CB TYR A 47 -0.327 6.746 -6.354 1.00 0.00 C ATOM 732 CG TYR A 47 0.434 7.173 -5.121 1.00 0.00 C ATOM 733 CD1 TYR A 47 1.438 6.392 -4.588 1.00 0.00 C ATOM 734 CD2 TYR A 47 0.166 8.393 -4.519 1.00 0.00 C ATOM 735 CE1 TYR A 47 2.156 6.817 -3.490 1.00 0.00 C ATOM 736 CE2 TYR A 47 0.868 8.819 -3.425 1.00 0.00 C ATOM 737 CZ TYR A 47 1.863 8.033 -2.912 1.00 0.00 C ATOM 738 OH TYR A 47 2.583 8.473 -1.823 1.00 0.00 O ATOM 0 H TYR A 47 0.003 9.134 -7.174 1.00 0.00 H new ATOM 0 HA TYR A 47 1.343 6.576 -7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.316 7.204 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.475 5.666 -6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.665 5.436 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.614 9.021 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.944 6.200 -3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.638 9.771 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 47 2.818 7.709 -1.256 1.00 0.00 H new ATOM 748 N GLY A 48 -1.635 7.227 -8.962 1.00 0.00 N ATOM 749 CA GLY A 48 -2.538 6.816 -10.038 1.00 0.00 C ATOM 750 C GLY A 48 -2.367 7.570 -11.345 1.00 0.00 C ATOM 751 O GLY A 48 -3.290 7.635 -12.151 1.00 0.00 O ATOM 0 H GLY A 48 -2.045 7.877 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.392 5.753 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.566 6.940 -9.696 1.00 0.00 H new ATOM 755 N SER A 49 -1.219 8.138 -11.556 1.00 0.00 N ATOM 756 CA SER A 49 -0.957 8.863 -12.788 1.00 0.00 C ATOM 757 C SER A 49 0.243 8.271 -13.526 1.00 0.00 C ATOM 758 O SER A 49 0.778 8.875 -14.454 1.00 0.00 O ATOM 759 CB SER A 49 -0.729 10.333 -12.475 1.00 0.00 C ATOM 760 OG SER A 49 -1.848 10.864 -11.774 1.00 0.00 O ATOM 0 H SER A 49 -0.440 8.120 -10.898 1.00 0.00 H new ATOM 0 HA SER A 49 -1.823 8.770 -13.443 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.174 10.449 -11.875 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.572 10.889 -13.399 1.00 0.00 H new ATOM 0 HG SER A 49 -1.847 10.528 -10.854 1.00 0.00 H new ATOM 766 N GLY A 50 0.638 7.075 -13.121 1.00 0.00 N ATOM 767 CA GLY A 50 1.768 6.418 -13.751 1.00 0.00 C ATOM 768 C GLY A 50 3.081 6.920 -13.206 1.00 0.00 C ATOM 769 O GLY A 50 4.113 6.860 -13.877 1.00 0.00 O ATOM 0 H GLY A 50 0.198 6.546 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.697 5.342 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.733 6.586 -14.827 1.00 0.00 H new ATOM 773 N GLY A 51 3.035 7.413 -11.982 1.00 0.00 N ATOM 774 CA GLY A 51 4.213 7.931 -11.325 1.00 0.00 C ATOM 775 C GLY A 51 5.104 6.861 -10.827 1.00 0.00 C ATOM 776 O GLY A 51 4.862 5.666 -11.045 1.00 0.00 O ATOM 0 H GLY A 51 2.184 7.464 -11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.764 8.563 -12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.910 8.564 -10.491 1.00 0.00 H new ATOM 780 N ASP A 52 6.121 7.280 -10.134 1.00 0.00 N ATOM 781 CA ASP A 52 7.138 6.401 -9.598 1.00 0.00 C ATOM 782 C ASP A 52 6.523 5.352 -8.695 1.00 0.00 C ATOM 783 O ASP A 52 6.953 4.201 -8.652 1.00 0.00 O ATOM 784 CB ASP A 52 8.130 7.205 -8.769 1.00 0.00 C ATOM 785 CG ASP A 52 8.891 8.264 -9.528 1.00 0.00 C ATOM 786 OD1 ASP A 52 8.368 9.383 -9.707 1.00 0.00 O ATOM 787 OD2 ASP A 52 10.045 8.008 -9.931 1.00 0.00 O ATOM 0 H ASP A 52 6.277 8.264 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 52 7.637 5.918 -10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.592 7.683 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.846 6.517 -8.320 1.00 0.00 H new ATOM 792 N TYR A 53 5.491 5.750 -8.000 1.00 0.00 N ATOM 793 CA TYR A 53 4.872 4.912 -7.022 1.00 0.00 C ATOM 794 C TYR A 53 3.589 4.281 -7.560 1.00 0.00 C ATOM 795 O TYR A 53 2.758 3.813 -6.797 1.00 0.00 O ATOM 796 CB TYR A 53 4.592 5.730 -5.763 1.00 0.00 C ATOM 797 CG TYR A 53 5.829 6.395 -5.201 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.699 5.707 -4.365 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.134 7.713 -5.523 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.839 6.313 -3.870 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.264 8.324 -5.032 1.00 0.00 C ATOM 802 CZ TYR A 53 8.115 7.623 -4.208 1.00 0.00 C ATOM 803 OH TYR A 53 9.248 8.232 -3.725 1.00 0.00 O ATOM 0 H TYR A 53 5.059 6.668 -8.100 1.00 0.00 H new ATOM 0 HA TYR A 53 5.551 4.096 -6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.848 6.493 -5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.159 5.080 -5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.482 4.683 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.471 8.267 -6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.509 5.766 -3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.483 9.349 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 53 9.523 7.797 -2.891 1.00 0.00 H new ATOM 813 N SER A 54 3.465 4.214 -8.877 1.00 0.00 N ATOM 814 CA SER A 54 2.278 3.641 -9.521 1.00 0.00 C ATOM 815 C SER A 54 2.170 2.116 -9.260 1.00 0.00 C ATOM 816 O SER A 54 1.098 1.527 -9.389 1.00 0.00 O ATOM 817 CB SER A 54 2.308 3.941 -11.032 1.00 0.00 C ATOM 818 OG SER A 54 1.136 3.487 -11.702 1.00 0.00 O ATOM 0 H SER A 54 4.173 4.550 -9.530 1.00 0.00 H new ATOM 0 HA SER A 54 1.393 4.105 -9.086 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.416 5.015 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.183 3.467 -11.476 1.00 0.00 H new ATOM 0 HG SER A 54 1.319 3.403 -12.661 1.00 0.00 H new ATOM 824 N MET A 55 3.277 1.488 -8.869 1.00 0.00 N ATOM 825 CA MET A 55 3.282 0.037 -8.592 1.00 0.00 C ATOM 826 C MET A 55 2.726 -0.186 -7.205 1.00 0.00 C ATOM 827 O MET A 55 2.191 -1.235 -6.882 1.00 0.00 O ATOM 828 CB MET A 55 4.711 -0.524 -8.612 1.00 0.00 C ATOM 829 CG MET A 55 5.559 -0.042 -9.758 1.00 0.00 C ATOM 830 SD MET A 55 4.805 -0.307 -11.378 1.00 0.00 S ATOM 831 CE MET A 55 6.043 0.432 -12.444 1.00 0.00 C ATOM 0 H MET A 55 4.178 1.948 -8.735 1.00 0.00 H new ATOM 0 HA MET A 55 2.686 -0.463 -9.356 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.204 -0.259 -7.677 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.659 -1.612 -8.648 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.758 1.022 -9.629 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.521 -0.553 -9.727 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.725 0.349 -13.483 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.165 1.484 -12.185 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.993 -0.087 -12.313 1.00 0.00 H new ATOM 841 N PHE A 56 2.840 0.847 -6.412 1.00 0.00 N ATOM 842 CA PHE A 56 2.471 0.841 -5.020 1.00 0.00 C ATOM 843 C PHE A 56 1.020 1.285 -4.889 1.00 0.00 C ATOM 844 O PHE A 56 0.418 1.167 -3.841 1.00 0.00 O ATOM 845 CB PHE A 56 3.374 1.856 -4.264 1.00 0.00 C ATOM 846 CG PHE A 56 4.879 1.616 -4.384 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.555 1.856 -5.577 1.00 0.00 C ATOM 848 CD2 PHE A 56 5.607 1.173 -3.304 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.915 1.652 -5.680 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.966 0.965 -3.398 1.00 0.00 C ATOM 851 CZ PHE A 56 7.622 1.203 -4.588 1.00 0.00 C ATOM 0 H PHE A 56 3.204 1.746 -6.728 1.00 0.00 H new ATOM 0 HA PHE A 56 2.593 -0.159 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.153 2.857 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.104 1.839 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.005 2.208 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.105 0.985 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.423 1.844 -6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.518 0.615 -2.539 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.687 1.038 -4.662 1.00 0.00 H new ATOM 861 N ALA A 57 0.473 1.745 -6.000 1.00 0.00 N ATOM 862 CA ALA A 57 -0.836 2.386 -6.053 1.00 0.00 C ATOM 863 C ALA A 57 -2.015 1.417 -5.988 1.00 0.00 C ATOM 864 O ALA A 57 -3.158 1.843 -6.005 1.00 0.00 O ATOM 865 CB ALA A 57 -0.923 3.233 -7.305 1.00 0.00 C ATOM 0 H ALA A 57 0.932 1.684 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.918 3.002 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.899 3.715 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.143 3.994 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.789 2.600 -8.182 1.00 0.00 H new ATOM 871 N GLY A 58 -1.748 0.141 -5.933 1.00 0.00 N ATOM 872 CA GLY A 58 -2.831 -0.810 -5.851 1.00 0.00 C ATOM 873 C GLY A 58 -2.412 -2.079 -5.188 1.00 0.00 C ATOM 874 O GLY A 58 -2.958 -3.150 -5.461 1.00 0.00 O ATOM 0 H GLY A 58 -0.811 -0.262 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.660 -0.369 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.198 -1.029 -6.854 1.00 0.00 H new ATOM 878 N LYS A 59 -1.440 -1.977 -4.330 1.00 0.00 N ATOM 879 CA LYS A 59 -0.934 -3.106 -3.603 1.00 0.00 C ATOM 880 C LYS A 59 -0.489 -2.770 -2.256 1.00 0.00 C ATOM 881 O LYS A 59 -0.378 -1.593 -1.875 1.00 0.00 O ATOM 882 CB LYS A 59 0.207 -3.777 -4.322 1.00 0.00 C ATOM 883 CG LYS A 59 -0.240 -4.624 -5.419 1.00 0.00 C ATOM 884 CD LYS A 59 0.872 -5.224 -6.170 1.00 0.00 C ATOM 885 CE LYS A 59 0.279 -6.094 -7.197 1.00 0.00 C ATOM 886 NZ LYS A 59 1.251 -6.583 -8.176 1.00 0.00 N ATOM 0 H LYS A 59 -0.970 -1.098 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.781 -3.788 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.885 -3.016 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.775 -4.378 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.874 -5.417 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.854 -4.034 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.489 -4.451 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.520 -5.797 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.196 -6.946 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.506 -5.546 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.872 -7.427 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.434 -5.842 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.139 -6.827 -7.692 1.00 0.00 H new ATOM 900 N ASP A 60 -0.236 -3.801 -1.528 1.00 0.00 N ATOM 901 CA ASP A 60 0.431 -3.654 -0.275 1.00 0.00 C ATOM 902 C ASP A 60 1.863 -3.693 -0.657 1.00 0.00 C ATOM 903 O ASP A 60 2.400 -4.735 -1.006 1.00 0.00 O ATOM 904 CB ASP A 60 0.127 -4.771 0.718 1.00 0.00 C ATOM 905 CG ASP A 60 0.752 -4.496 2.088 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.987 -4.466 2.194 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.013 -4.346 3.086 1.00 0.00 O ATOM 0 H ASP A 60 -0.480 -4.760 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 60 0.115 -2.745 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.952 -4.879 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.505 -5.717 0.329 1.00 0.00 H new ATOM 912 N ALA A 61 2.459 -2.576 -0.668 1.00 0.00 N ATOM 913 CA ALA A 61 3.754 -2.450 -1.226 1.00 0.00 C ATOM 914 C ALA A 61 4.817 -2.396 -0.173 1.00 0.00 C ATOM 915 O ALA A 61 5.924 -1.925 -0.430 1.00 0.00 O ATOM 916 CB ALA A 61 3.770 -1.222 -2.076 1.00 0.00 C ATOM 0 H ALA A 61 2.070 -1.712 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 61 3.976 -3.330 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.758 -1.100 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.026 -1.317 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.538 -0.352 -1.462 1.00 0.00 H new ATOM 922 N SER A 62 4.517 -2.940 0.977 1.00 0.00 N ATOM 923 CA SER A 62 5.415 -2.886 2.093 1.00 0.00 C ATOM 924 C SER A 62 6.787 -3.539 1.788 1.00 0.00 C ATOM 925 O SER A 62 7.824 -2.985 2.135 1.00 0.00 O ATOM 926 CB SER A 62 4.777 -3.504 3.313 1.00 0.00 C ATOM 927 OG SER A 62 3.505 -2.935 3.561 1.00 0.00 O ATOM 0 H SER A 62 3.643 -3.432 1.163 1.00 0.00 H new ATOM 0 HA SER A 62 5.614 -1.834 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.677 -4.580 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.421 -3.356 4.180 1.00 0.00 H new ATOM 0 HG SER A 62 2.811 -3.613 3.424 1.00 0.00 H new ATOM 933 N ARG A 63 6.804 -4.685 1.103 1.00 0.00 N ATOM 934 CA ARG A 63 8.088 -5.316 0.813 1.00 0.00 C ATOM 935 C ARG A 63 8.829 -4.533 -0.259 1.00 0.00 C ATOM 936 O ARG A 63 10.058 -4.431 -0.235 1.00 0.00 O ATOM 937 CB ARG A 63 7.961 -6.780 0.383 1.00 0.00 C ATOM 938 CG ARG A 63 9.308 -7.481 0.408 1.00 0.00 C ATOM 939 CD ARG A 63 9.259 -8.911 -0.065 1.00 0.00 C ATOM 940 NE ARG A 63 10.541 -9.594 0.215 1.00 0.00 N ATOM 941 CZ ARG A 63 11.060 -10.596 -0.502 1.00 0.00 C ATOM 942 NH1 ARG A 63 10.524 -10.946 -1.660 1.00 0.00 N ATOM 943 NH2 ARG A 63 12.153 -11.209 -0.071 1.00 0.00 N ATOM 0 H ARG A 63 5.981 -5.176 0.753 1.00 0.00 H new ATOM 0 HA ARG A 63 8.651 -5.305 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.267 -7.297 1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.541 -6.831 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.008 -6.925 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.700 -7.458 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.444 -9.437 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.051 -8.939 -1.135 1.00 0.00 H new ATOM 0 HE ARG A 63 11.074 -9.273 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.706 -10.450 -2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.929 -11.712 -2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.592 -10.915 0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.555 -11.974 -0.612 1.00 0.00 H new ATOM 957 N ALA A 64 8.068 -3.905 -1.147 1.00 0.00 N ATOM 958 CA ALA A 64 8.633 -3.187 -2.272 1.00 0.00 C ATOM 959 C ALA A 64 9.302 -1.960 -1.750 1.00 0.00 C ATOM 960 O ALA A 64 10.285 -1.511 -2.277 1.00 0.00 O ATOM 961 CB ALA A 64 7.569 -2.820 -3.290 1.00 0.00 C ATOM 0 H ALA A 64 7.049 -3.882 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 64 9.354 -3.825 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.029 -2.283 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.095 -3.727 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.818 -2.186 -2.819 1.00 0.00 H new ATOM 967 N LEU A 65 8.734 -1.432 -0.701 1.00 0.00 N ATOM 968 CA LEU A 65 9.273 -0.312 0.014 1.00 0.00 C ATOM 969 C LEU A 65 10.636 -0.627 0.627 1.00 0.00 C ATOM 970 O LEU A 65 11.499 0.234 0.705 1.00 0.00 O ATOM 971 CB LEU A 65 8.284 0.124 1.081 1.00 0.00 C ATOM 972 CG LEU A 65 7.029 0.850 0.600 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.119 1.161 1.761 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.420 2.124 -0.077 1.00 0.00 C ATOM 0 H LEU A 65 7.859 -1.780 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 65 9.430 0.504 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.973 -0.760 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.806 0.775 1.782 1.00 0.00 H new ATOM 0 HG LEU A 65 6.498 0.204 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.231 1.678 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.824 0.233 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.643 1.797 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.525 2.643 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.960 2.759 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.060 1.901 -0.930 1.00 0.00 H new ATOM 986 N GLY A 66 10.834 -1.855 1.040 1.00 0.00 N ATOM 987 CA GLY A 66 12.093 -2.204 1.641 1.00 0.00 C ATOM 988 C GLY A 66 13.123 -2.613 0.621 1.00 0.00 C ATOM 989 O GLY A 66 14.317 -2.392 0.801 1.00 0.00 O ATOM 0 H GLY A 66 10.155 -2.613 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.468 -1.354 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.941 -3.020 2.347 1.00 0.00 H new ATOM 993 N LYS A 67 12.665 -3.201 -0.446 1.00 0.00 N ATOM 994 CA LYS A 67 13.535 -3.682 -1.503 1.00 0.00 C ATOM 995 C LYS A 67 13.808 -2.587 -2.539 1.00 0.00 C ATOM 996 O LYS A 67 14.834 -2.615 -3.225 1.00 0.00 O ATOM 997 CB LYS A 67 12.868 -4.880 -2.177 1.00 0.00 C ATOM 998 CG LYS A 67 12.597 -6.086 -1.251 1.00 0.00 C ATOM 999 CD LYS A 67 13.778 -7.060 -1.114 1.00 0.00 C ATOM 1000 CE LYS A 67 15.075 -6.412 -0.672 1.00 0.00 C ATOM 1001 NZ LYS A 67 16.139 -7.417 -0.500 1.00 0.00 N ATOM 0 H LYS A 67 11.673 -3.366 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 67 14.491 -3.974 -1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.922 -4.554 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.498 -5.210 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.331 -5.716 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.733 -6.632 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.511 -7.837 -0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.940 -7.553 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.385 -5.672 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.918 -5.880 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.066 -6.945 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.004 -7.915 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.099 -8.102 -1.282 1.00 0.00 H new ATOM 1015 N MET A 68 12.892 -1.621 -2.617 1.00 0.00 N ATOM 1016 CA MET A 68 12.917 -0.529 -3.605 1.00 0.00 C ATOM 1017 C MET A 68 12.735 -1.094 -5.013 1.00 0.00 C ATOM 1018 O MET A 68 13.383 -0.665 -5.984 1.00 0.00 O ATOM 1019 CB MET A 68 14.181 0.352 -3.478 1.00 0.00 C ATOM 1020 CG MET A 68 14.281 1.124 -2.177 1.00 0.00 C ATOM 1021 SD MET A 68 12.886 2.229 -1.897 1.00 0.00 S ATOM 1022 CE MET A 68 12.993 3.313 -3.322 1.00 0.00 C ATOM 0 H MET A 68 12.093 -1.570 -1.984 1.00 0.00 H new ATOM 0 HA MET A 68 12.079 0.137 -3.398 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.062 -0.282 -3.578 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.201 1.059 -4.308 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.350 0.419 -1.348 1.00 0.00 H new ATOM 0 HG3 MET A 68 15.203 1.706 -2.178 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.390 4.204 -3.147 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.032 3.603 -3.481 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.623 2.791 -4.205 1.00 0.00 H new ATOM 1032 N SER A 69 11.815 -2.041 -5.113 1.00 0.00 N ATOM 1033 CA SER A 69 11.504 -2.710 -6.358 1.00 0.00 C ATOM 1034 C SER A 69 10.328 -2.041 -7.035 1.00 0.00 C ATOM 1035 O SER A 69 9.571 -1.293 -6.403 1.00 0.00 O ATOM 1036 CB SER A 69 11.176 -4.181 -6.104 1.00 0.00 C ATOM 1037 OG SER A 69 10.891 -4.873 -7.310 1.00 0.00 O ATOM 0 H SER A 69 11.260 -2.367 -4.322 1.00 0.00 H new ATOM 0 HA SER A 69 12.376 -2.645 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.016 -4.659 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.320 -4.252 -5.433 1.00 0.00 H new ATOM 0 HG SER A 69 11.153 -5.813 -7.218 1.00 0.00 H new ATOM 1043 N LYS A 70 10.170 -2.310 -8.316 1.00 0.00 N ATOM 1044 CA LYS A 70 9.095 -1.739 -9.077 1.00 0.00 C ATOM 1045 C LYS A 70 8.333 -2.800 -9.838 1.00 0.00 C ATOM 1046 O LYS A 70 7.287 -2.520 -10.424 1.00 0.00 O ATOM 1047 CB LYS A 70 9.622 -0.691 -10.023 1.00 0.00 C ATOM 1048 CG LYS A 70 10.327 0.444 -9.316 1.00 0.00 C ATOM 1049 CD LYS A 70 10.944 1.408 -10.304 1.00 0.00 C ATOM 1050 CE LYS A 70 9.895 2.051 -11.199 1.00 0.00 C ATOM 1051 NZ LYS A 70 10.493 2.973 -12.176 1.00 0.00 N ATOM 0 H LYS A 70 10.783 -2.927 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 70 8.403 -1.269 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.312 -1.158 -10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.795 -0.289 -10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.619 0.975 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.102 0.043 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.486 2.184 -9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.673 0.880 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.342 1.273 -11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.176 2.592 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.743 3.389 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.999 3.730 -11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.160 2.453 -12.781 1.00 0.00 H new ATOM 1065 N ASN A 71 8.846 -4.013 -9.864 1.00 0.00 N ATOM 1066 CA ASN A 71 8.102 -5.072 -10.511 1.00 0.00 C ATOM 1067 C ASN A 71 6.976 -5.532 -9.649 1.00 0.00 C ATOM 1068 O ASN A 71 7.122 -5.655 -8.430 1.00 0.00 O ATOM 1069 CB ASN A 71 8.942 -6.261 -11.035 1.00 0.00 C ATOM 1070 CG ASN A 71 9.846 -6.986 -10.021 1.00 0.00 C ATOM 1071 OD1 ASN A 71 10.895 -7.510 -10.392 1.00 0.00 O ATOM 1072 ND2 ASN A 71 9.476 -7.020 -8.771 1.00 0.00 N ATOM 0 H ASN A 71 9.743 -4.284 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 71 7.704 -4.616 -11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.259 -6.994 -11.463 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.570 -5.898 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.061 -7.488 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.602 -6.579 -8.486 1.00 0.00 H new ATOM 1079 N GLU A 72 5.878 -5.818 -10.281 1.00 0.00 N ATOM 1080 CA GLU A 72 4.636 -6.164 -9.621 1.00 0.00 C ATOM 1081 C GLU A 72 4.759 -7.381 -8.699 1.00 0.00 C ATOM 1082 O GLU A 72 3.970 -7.528 -7.759 1.00 0.00 O ATOM 1083 CB GLU A 72 3.593 -6.426 -10.669 1.00 0.00 C ATOM 1084 CG GLU A 72 3.912 -7.586 -11.580 1.00 0.00 C ATOM 1085 CD GLU A 72 2.914 -7.732 -12.669 1.00 0.00 C ATOM 1086 OE1 GLU A 72 1.779 -8.140 -12.383 1.00 0.00 O ATOM 1087 OE2 GLU A 72 3.254 -7.447 -13.837 1.00 0.00 O ATOM 0 H GLU A 72 5.810 -5.820 -11.299 1.00 0.00 H new ATOM 0 HA GLU A 72 4.356 -5.324 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.639 -6.616 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.467 -5.528 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.902 -7.445 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.948 -8.506 -10.996 1.00 0.00 H new ATOM 1094 N GLU A 73 5.726 -8.228 -8.988 1.00 0.00 N ATOM 1095 CA GLU A 73 5.985 -9.431 -8.230 1.00 0.00 C ATOM 1096 C GLU A 73 6.368 -9.088 -6.791 1.00 0.00 C ATOM 1097 O GLU A 73 5.720 -9.542 -5.851 1.00 0.00 O ATOM 1098 CB GLU A 73 7.104 -10.229 -8.956 1.00 0.00 C ATOM 1099 CG GLU A 73 7.482 -11.617 -8.400 1.00 0.00 C ATOM 1100 CD GLU A 73 8.155 -11.606 -7.040 1.00 0.00 C ATOM 1101 OE1 GLU A 73 9.361 -11.279 -6.974 1.00 0.00 O ATOM 1102 OE2 GLU A 73 7.507 -11.945 -6.041 1.00 0.00 O ATOM 0 H GLU A 73 6.365 -8.095 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 73 5.088 -10.047 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.802 -10.357 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.004 -9.614 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.579 -12.223 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.145 -12.108 -9.112 1.00 0.00 H new ATOM 1109 N ASP A 74 7.378 -8.244 -6.624 1.00 0.00 N ATOM 1110 CA ASP A 74 7.922 -7.986 -5.301 1.00 0.00 C ATOM 1111 C ASP A 74 7.088 -6.997 -4.500 1.00 0.00 C ATOM 1112 O ASP A 74 7.311 -6.791 -3.304 1.00 0.00 O ATOM 1113 CB ASP A 74 9.372 -7.557 -5.391 1.00 0.00 C ATOM 1114 CG ASP A 74 10.051 -7.534 -4.059 1.00 0.00 C ATOM 1115 OD1 ASP A 74 10.042 -8.594 -3.366 1.00 0.00 O ATOM 1116 OD2 ASP A 74 10.667 -6.513 -3.726 1.00 0.00 O ATOM 0 H ASP A 74 7.832 -7.732 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 74 7.879 -8.925 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.907 -8.236 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.426 -6.565 -5.839 1.00 0.00 H new ATOM 1121 N VAL A 75 6.117 -6.391 -5.144 1.00 0.00 N ATOM 1122 CA VAL A 75 5.213 -5.529 -4.433 1.00 0.00 C ATOM 1123 C VAL A 75 4.292 -6.477 -3.653 1.00 0.00 C ATOM 1124 O VAL A 75 3.379 -7.086 -4.222 1.00 0.00 O ATOM 1125 CB VAL A 75 4.398 -4.629 -5.419 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.658 -3.537 -4.696 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.286 -4.022 -6.481 1.00 0.00 C ATOM 0 H VAL A 75 5.937 -6.479 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 75 5.740 -4.841 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 75 3.670 -5.281 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.104 -2.934 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.963 -3.979 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.370 -2.905 -4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.685 -3.403 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.052 -3.408 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.762 -4.817 -7.055 1.00 0.00 H new ATOM 1137 N SER A 76 4.571 -6.629 -2.371 1.00 0.00 N ATOM 1138 CA SER A 76 3.952 -7.649 -1.568 1.00 0.00 C ATOM 1139 C SER A 76 3.899 -7.201 -0.088 1.00 0.00 C ATOM 1140 O SER A 76 4.749 -6.412 0.352 1.00 0.00 O ATOM 1141 CB SER A 76 4.815 -8.927 -1.723 1.00 0.00 C ATOM 1142 OG SER A 76 4.272 -10.050 -1.054 1.00 0.00 O ATOM 0 H SER A 76 5.235 -6.044 -1.864 1.00 0.00 H new ATOM 0 HA SER A 76 2.927 -7.836 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.921 -9.160 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.816 -8.731 -1.338 1.00 0.00 H new ATOM 0 HG SER A 76 4.857 -10.825 -1.188 1.00 0.00 H new ATOM 1148 N PRO A 77 2.896 -7.687 0.687 1.00 0.00 N ATOM 1149 CA PRO A 77 2.719 -7.334 2.112 1.00 0.00 C ATOM 1150 C PRO A 77 3.751 -7.965 3.059 1.00 0.00 C ATOM 1151 O PRO A 77 3.734 -7.703 4.266 1.00 0.00 O ATOM 1152 CB PRO A 77 1.323 -7.879 2.436 1.00 0.00 C ATOM 1153 CG PRO A 77 1.122 -8.990 1.480 1.00 0.00 C ATOM 1154 CD PRO A 77 1.816 -8.581 0.217 1.00 0.00 C ATOM 0 HA PRO A 77 2.846 -6.261 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.264 -8.228 3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.560 -7.110 2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.537 -9.919 1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.061 -9.165 1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.214 -9.443 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.138 -8.067 -0.464 1.00 0.00 H new ATOM 1162 N SER A 78 4.619 -8.783 2.524 1.00 0.00 N ATOM 1163 CA SER A 78 5.618 -9.484 3.314 1.00 0.00 C ATOM 1164 C SER A 78 6.617 -8.594 3.956 1.00 0.00 C ATOM 1165 O SER A 78 7.312 -7.824 3.301 1.00 0.00 O ATOM 1166 CB SER A 78 6.341 -10.540 2.496 1.00 0.00 C ATOM 1167 OG SER A 78 7.424 -11.088 3.240 1.00 0.00 O ATOM 0 H SER A 78 4.660 -8.988 1.526 1.00 0.00 H new ATOM 0 HA SER A 78 5.049 -9.960 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.646 -11.332 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.713 -10.101 1.570 1.00 0.00 H new ATOM 0 HG SER A 78 7.386 -12.066 3.200 1.00 0.00 H new ATOM 1173 N LEU A 79 6.681 -8.708 5.257 1.00 0.00 N ATOM 1174 CA LEU A 79 7.720 -8.101 5.994 1.00 0.00 C ATOM 1175 C LEU A 79 8.563 -9.197 6.611 1.00 0.00 C ATOM 1176 O LEU A 79 9.482 -8.945 7.384 1.00 0.00 O ATOM 1177 CB LEU A 79 7.222 -7.164 7.088 1.00 0.00 C ATOM 1178 CG LEU A 79 6.292 -6.014 6.691 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.269 -4.934 7.768 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.669 -5.428 5.372 1.00 0.00 C ATOM 0 H LEU A 79 6.008 -9.227 5.820 1.00 0.00 H new ATOM 0 HA LEU A 79 8.298 -7.485 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.704 -7.768 7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.094 -6.732 7.578 1.00 0.00 H new ATOM 0 HG LEU A 79 5.289 -6.429 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.601 -4.129 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.915 -5.363 8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.275 -4.538 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.985 -4.615 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.687 -5.043 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.610 -6.197 4.602 1.00 0.00 H new ATOM 1192 N GLU A 80 8.241 -10.414 6.237 1.00 0.00 N ATOM 1193 CA GLU A 80 8.878 -11.599 6.767 1.00 0.00 C ATOM 1194 C GLU A 80 10.032 -12.046 5.886 1.00 0.00 C ATOM 1195 O GLU A 80 10.861 -12.878 6.279 1.00 0.00 O ATOM 1196 CB GLU A 80 7.811 -12.687 6.995 1.00 0.00 C ATOM 1197 CG GLU A 80 6.944 -13.030 5.777 1.00 0.00 C ATOM 1198 CD GLU A 80 7.596 -13.983 4.786 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.663 -15.184 5.081 1.00 0.00 O ATOM 1200 OE2 GLU A 80 8.011 -13.548 3.694 1.00 0.00 O ATOM 0 H GLU A 80 7.518 -10.612 5.545 1.00 0.00 H new ATOM 0 HA GLU A 80 9.330 -11.380 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.310 -13.596 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.157 -12.365 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.010 -13.471 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.687 -12.106 5.258 1.00 0.00 H new ATOM 1207 N GLY A 81 10.085 -11.483 4.703 1.00 0.00 N ATOM 1208 CA GLY A 81 11.170 -11.735 3.799 1.00 0.00 C ATOM 1209 C GLY A 81 12.062 -10.534 3.738 1.00 0.00 C ATOM 1210 O GLY A 81 12.503 -10.125 2.660 1.00 0.00 O ATOM 0 H GLY A 81 9.378 -10.841 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.737 -12.605 4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.784 -11.964 2.806 1.00 0.00 H new ATOM 1214 N LEU A 82 12.294 -9.949 4.900 1.00 0.00 N ATOM 1215 CA LEU A 82 13.070 -8.746 5.045 1.00 0.00 C ATOM 1216 C LEU A 82 13.846 -8.802 6.348 1.00 0.00 C ATOM 1217 O LEU A 82 13.273 -9.080 7.403 1.00 0.00 O ATOM 1218 CB LEU A 82 12.129 -7.541 5.125 1.00 0.00 C ATOM 1219 CG LEU A 82 11.215 -7.268 3.936 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.238 -6.198 4.319 1.00 0.00 C ATOM 1221 CD2 LEU A 82 12.022 -6.786 2.751 1.00 0.00 C ATOM 0 H LEU A 82 11.937 -10.311 5.784 1.00 0.00 H new ATOM 0 HA LEU A 82 13.745 -8.656 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.501 -7.665 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.738 -6.652 5.290 1.00 0.00 H new ATOM 0 HG LEU A 82 10.697 -8.188 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.576 -5.991 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.647 -6.533 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.779 -5.290 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.355 -6.595 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.544 -5.866 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.749 -7.548 2.472 1.00 0.00 H new ATOM 1233 N THR A 83 15.125 -8.570 6.280 1.00 0.00 N ATOM 1234 CA THR A 83 15.931 -8.449 7.462 1.00 0.00 C ATOM 1235 C THR A 83 15.979 -6.945 7.829 1.00 0.00 C ATOM 1236 O THR A 83 15.284 -6.147 7.194 1.00 0.00 O ATOM 1237 CB THR A 83 17.365 -9.050 7.252 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.085 -9.073 8.494 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.161 -8.250 6.241 1.00 0.00 C ATOM 0 H THR A 83 15.639 -8.459 5.406 1.00 0.00 H new ATOM 0 HA THR A 83 15.495 -9.022 8.281 1.00 0.00 H new ATOM 0 HB THR A 83 17.237 -10.065 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.977 -9.452 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.149 -8.695 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.642 -8.255 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.266 -7.223 6.591 1.00 0.00 H new ATOM 1247 N GLU A 84 16.785 -6.558 8.804 1.00 0.00 N ATOM 1248 CA GLU A 84 16.793 -5.173 9.299 1.00 0.00 C ATOM 1249 C GLU A 84 17.069 -4.118 8.230 1.00 0.00 C ATOM 1250 O GLU A 84 16.355 -3.137 8.157 1.00 0.00 O ATOM 1251 CB GLU A 84 17.741 -5.002 10.461 1.00 0.00 C ATOM 1252 CG GLU A 84 17.355 -5.811 11.663 1.00 0.00 C ATOM 1253 CD GLU A 84 18.306 -5.606 12.797 1.00 0.00 C ATOM 1254 OE1 GLU A 84 19.349 -6.278 12.830 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.032 -4.763 13.676 1.00 0.00 O ATOM 0 H GLU A 84 17.446 -7.176 9.275 1.00 0.00 H new ATOM 0 HA GLU A 84 15.772 -4.998 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.745 -5.287 10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.780 -3.948 10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.348 -5.536 11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.329 -6.868 11.397 1.00 0.00 H new ATOM 1262 N LYS A 85 18.066 -4.331 7.394 1.00 0.00 N ATOM 1263 CA LYS A 85 18.427 -3.356 6.330 1.00 0.00 C ATOM 1264 C LYS A 85 17.219 -3.144 5.389 1.00 0.00 C ATOM 1265 O LYS A 85 16.939 -2.030 4.919 1.00 0.00 O ATOM 1266 CB LYS A 85 19.607 -3.912 5.506 1.00 0.00 C ATOM 1267 CG LYS A 85 19.203 -5.121 4.696 1.00 0.00 C ATOM 1268 CD LYS A 85 20.322 -5.802 3.965 1.00 0.00 C ATOM 1269 CE LYS A 85 21.327 -6.421 4.928 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.419 -7.128 4.230 1.00 0.00 N ATOM 0 H LYS A 85 18.653 -5.165 7.414 1.00 0.00 H new ATOM 0 HA LYS A 85 18.707 -2.409 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.982 -3.136 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.424 -4.179 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.732 -5.844 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.448 -4.817 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.915 -6.577 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.829 -5.082 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.750 -5.639 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.811 -7.118 5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.075 -7.531 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.021 -7.893 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.931 -6.459 3.620 1.00 0.00 H new ATOM 1284 N GLU A 86 16.497 -4.225 5.179 1.00 0.00 N ATOM 1285 CA GLU A 86 15.411 -4.292 4.287 1.00 0.00 C ATOM 1286 C GLU A 86 14.224 -3.639 4.907 1.00 0.00 C ATOM 1287 O GLU A 86 13.600 -2.754 4.318 1.00 0.00 O ATOM 1288 CB GLU A 86 15.130 -5.753 3.999 1.00 0.00 C ATOM 1289 CG GLU A 86 16.240 -6.484 3.259 1.00 0.00 C ATOM 1290 CD GLU A 86 15.911 -7.930 2.976 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.153 -8.784 3.844 1.00 0.00 O ATOM 1292 OE2 GLU A 86 15.423 -8.227 1.886 1.00 0.00 O ATOM 0 H GLU A 86 16.678 -5.107 5.658 1.00 0.00 H new ATOM 0 HA GLU A 86 15.639 -3.774 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.944 -6.265 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.214 -5.823 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.439 -5.972 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.155 -6.435 3.849 1.00 0.00 H new ATOM 1299 N ILE A 87 13.930 -4.058 6.111 1.00 0.00 N ATOM 1300 CA ILE A 87 12.853 -3.514 6.857 1.00 0.00 C ATOM 1301 C ILE A 87 13.042 -2.020 7.076 1.00 0.00 C ATOM 1302 O ILE A 87 12.137 -1.259 6.818 1.00 0.00 O ATOM 1303 CB ILE A 87 12.666 -4.207 8.216 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.218 -5.652 8.062 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.666 -3.467 9.028 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.975 -6.336 9.397 1.00 0.00 C ATOM 0 H ILE A 87 14.444 -4.794 6.595 1.00 0.00 H new ATOM 0 HA ILE A 87 11.955 -3.688 6.265 1.00 0.00 H new ATOM 0 HB ILE A 87 13.634 -4.206 8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.303 -5.683 7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.975 -6.206 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 87 11.539 -3.964 9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 87 12.012 -2.446 9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.712 -3.447 8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.657 -7.365 9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.896 -6.333 9.980 1.00 0.00 H new ATOM 0 HD13 ILE A 87 11.197 -5.802 9.943 1.00 0.00 H new ATOM 1318 N ASN A 88 14.238 -1.605 7.518 1.00 0.00 N ATOM 1319 CA ASN A 88 14.502 -0.166 7.796 1.00 0.00 C ATOM 1320 C ASN A 88 14.214 0.730 6.634 1.00 0.00 C ATOM 1321 O ASN A 88 13.745 1.852 6.817 1.00 0.00 O ATOM 1322 CB ASN A 88 15.908 0.121 8.321 1.00 0.00 C ATOM 1323 CG ASN A 88 16.067 -0.149 9.811 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.806 0.719 10.637 1.00 0.00 O ATOM 1325 ND2 ASN A 88 16.509 -1.319 10.163 1.00 0.00 N ATOM 0 H ASN A 88 15.031 -2.223 7.691 1.00 0.00 H new ATOM 0 HA ASN A 88 13.795 0.064 8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.624 -0.489 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 88 16.157 1.163 8.120 1.00 0.00 H new ATOM 0 HD21 ASN A 88 16.648 -1.536 11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.717 -2.020 9.452 1.00 0.00 H new ATOM 1332 N THR A 89 14.470 0.242 5.449 1.00 0.00 N ATOM 1333 CA THR A 89 14.235 1.010 4.261 1.00 0.00 C ATOM 1334 C THR A 89 12.716 1.346 4.137 1.00 0.00 C ATOM 1335 O THR A 89 12.326 2.505 3.943 1.00 0.00 O ATOM 1336 CB THR A 89 14.703 0.202 3.038 1.00 0.00 C ATOM 1337 OG1 THR A 89 16.112 -0.143 3.171 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.497 0.993 1.788 1.00 0.00 C ATOM 0 H THR A 89 14.844 -0.692 5.283 1.00 0.00 H new ATOM 0 HA THR A 89 14.794 1.945 4.312 1.00 0.00 H new ATOM 0 HB THR A 89 14.115 -0.714 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.212 -0.864 3.827 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.832 0.411 0.930 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.438 1.228 1.676 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.070 1.918 1.844 1.00 0.00 H new ATOM 1346 N LEU A 90 11.900 0.328 4.319 1.00 0.00 N ATOM 1347 CA LEU A 90 10.450 0.434 4.294 1.00 0.00 C ATOM 1348 C LEU A 90 9.916 1.122 5.540 1.00 0.00 C ATOM 1349 O LEU A 90 9.004 1.896 5.461 1.00 0.00 O ATOM 1350 CB LEU A 90 9.871 -0.957 4.166 1.00 0.00 C ATOM 1351 CG LEU A 90 8.651 -1.279 5.013 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.356 -0.768 4.419 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.612 -2.727 5.357 1.00 0.00 C ATOM 0 H LEU A 90 12.232 -0.621 4.493 1.00 0.00 H new ATOM 0 HA LEU A 90 10.152 1.046 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.610 -1.120 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.654 -1.674 4.414 1.00 0.00 H new ATOM 0 HG LEU A 90 8.754 -0.729 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.526 -1.032 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.406 0.316 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.202 -1.219 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.730 -2.933 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.569 -3.317 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.508 -2.992 5.918 1.00 0.00 H new ATOM 1365 N ASN A 91 10.493 0.792 6.680 1.00 0.00 N ATOM 1366 CA ASN A 91 10.120 1.352 7.990 1.00 0.00 C ATOM 1367 C ASN A 91 10.122 2.885 7.910 1.00 0.00 C ATOM 1368 O ASN A 91 9.254 3.562 8.475 1.00 0.00 O ATOM 1369 CB ASN A 91 11.151 0.873 9.024 1.00 0.00 C ATOM 1370 CG ASN A 91 10.713 1.004 10.468 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.931 2.035 11.122 1.00 0.00 O ATOM 1372 ND2 ASN A 91 10.116 -0.059 10.974 1.00 0.00 N ATOM 0 H ASN A 91 11.252 0.113 6.735 1.00 0.00 H new ATOM 0 HA ASN A 91 9.123 1.021 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.386 -0.172 8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 91 12.072 1.439 8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.810 -0.057 11.947 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.961 -0.882 10.392 1.00 0.00 H new ATOM 1379 N ASP A 92 11.089 3.409 7.172 1.00 0.00 N ATOM 1380 CA ASP A 92 11.180 4.834 6.872 1.00 0.00 C ATOM 1381 C ASP A 92 9.987 5.251 5.987 1.00 0.00 C ATOM 1382 O ASP A 92 9.274 6.206 6.295 1.00 0.00 O ATOM 1383 CB ASP A 92 12.508 5.108 6.151 1.00 0.00 C ATOM 1384 CG ASP A 92 12.698 6.548 5.730 1.00 0.00 C ATOM 1385 OD1 ASP A 92 13.208 7.358 6.539 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.378 6.883 4.573 1.00 0.00 O ATOM 0 H ASP A 92 11.840 2.855 6.760 1.00 0.00 H new ATOM 0 HA ASP A 92 11.148 5.415 7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.330 4.821 6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.567 4.472 5.268 1.00 0.00 H new ATOM 1391 N TRP A 93 9.767 4.483 4.917 1.00 0.00 N ATOM 1392 CA TRP A 93 8.670 4.684 3.957 1.00 0.00 C ATOM 1393 C TRP A 93 7.288 4.696 4.573 1.00 0.00 C ATOM 1394 O TRP A 93 6.453 5.516 4.186 1.00 0.00 O ATOM 1395 CB TRP A 93 8.719 3.656 2.843 1.00 0.00 C ATOM 1396 CG TRP A 93 9.741 3.914 1.775 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.768 3.104 1.408 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.826 5.072 0.931 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.473 3.662 0.372 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.921 4.878 0.066 1.00 0.00 C ATOM 1401 CE3 TRP A 93 9.077 6.250 0.819 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.285 5.815 -0.892 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.440 7.177 -0.132 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.534 6.956 -0.976 1.00 0.00 C ATOM 0 H TRP A 93 10.358 3.685 4.686 1.00 0.00 H new ATOM 0 HA TRP A 93 8.838 5.683 3.554 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.916 2.678 3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.735 3.604 2.376 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.997 2.154 1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.276 3.241 -0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 93 8.231 6.428 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.129 5.650 -1.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.871 8.090 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.792 7.704 -1.711 1.00 0.00 H new ATOM 1415 N GLU A 94 7.051 3.800 5.513 1.00 0.00 N ATOM 1416 CA GLU A 94 5.764 3.670 6.207 1.00 0.00 C ATOM 1417 C GLU A 94 5.297 5.040 6.669 1.00 0.00 C ATOM 1418 O GLU A 94 4.252 5.530 6.278 1.00 0.00 O ATOM 1419 CB GLU A 94 5.952 2.790 7.434 1.00 0.00 C ATOM 1420 CG GLU A 94 6.545 1.423 7.160 1.00 0.00 C ATOM 1421 CD GLU A 94 6.787 0.642 8.428 1.00 0.00 C ATOM 1422 OE1 GLU A 94 6.851 1.255 9.507 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.848 -0.587 8.381 1.00 0.00 O ATOM 0 H GLU A 94 7.751 3.128 5.827 1.00 0.00 H new ATOM 0 HA GLU A 94 5.029 3.233 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.595 3.313 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.985 2.659 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.873 0.861 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.485 1.538 6.621 1.00 0.00 H new ATOM 1430 N THR A 95 6.147 5.641 7.435 1.00 0.00 N ATOM 1431 CA THR A 95 5.987 6.941 8.047 1.00 0.00 C ATOM 1432 C THR A 95 5.697 8.058 7.020 1.00 0.00 C ATOM 1433 O THR A 95 4.993 9.023 7.314 1.00 0.00 O ATOM 1434 CB THR A 95 7.303 7.268 8.758 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.634 6.163 9.640 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.178 8.535 9.585 1.00 0.00 C ATOM 0 H THR A 95 7.042 5.213 7.674 1.00 0.00 H new ATOM 0 HA THR A 95 5.135 6.900 8.726 1.00 0.00 H new ATOM 0 HB THR A 95 8.080 7.420 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.476 6.355 10.103 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.127 8.743 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.917 9.370 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.400 8.404 10.337 1.00 0.00 H new ATOM 1444 N LYS A 96 6.193 7.894 5.821 1.00 0.00 N ATOM 1445 CA LYS A 96 6.122 8.931 4.819 1.00 0.00 C ATOM 1446 C LYS A 96 4.714 8.998 4.293 1.00 0.00 C ATOM 1447 O LYS A 96 4.174 10.066 4.001 1.00 0.00 O ATOM 1448 CB LYS A 96 7.126 8.622 3.716 1.00 0.00 C ATOM 1449 CG LYS A 96 8.545 8.432 4.252 1.00 0.00 C ATOM 1450 CD LYS A 96 9.096 9.694 4.871 1.00 0.00 C ATOM 1451 CE LYS A 96 10.520 9.488 5.358 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.077 10.711 5.973 1.00 0.00 N ATOM 0 H LYS A 96 6.657 7.041 5.510 1.00 0.00 H new ATOM 0 HA LYS A 96 6.375 9.904 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.816 7.719 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.122 9.433 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.547 7.634 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.198 8.113 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.072 10.502 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.464 10.000 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.541 8.675 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.149 9.184 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.050 10.527 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.081 11.480 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.492 10.987 6.788 1.00 0.00 H new ATOM 1466 N PHE A 97 4.127 7.852 4.210 1.00 0.00 N ATOM 1467 CA PHE A 97 2.772 7.704 3.809 1.00 0.00 C ATOM 1468 C PHE A 97 1.854 7.938 5.003 1.00 0.00 C ATOM 1469 O PHE A 97 0.907 8.724 4.934 1.00 0.00 O ATOM 1470 CB PHE A 97 2.569 6.312 3.256 1.00 0.00 C ATOM 1471 CG PHE A 97 3.223 6.044 1.917 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.603 5.954 1.790 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.446 5.855 0.795 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.188 5.684 0.570 1.00 0.00 C ATOM 1475 CE2 PHE A 97 3.025 5.588 -0.426 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.397 5.501 -0.541 1.00 0.00 C ATOM 0 H PHE A 97 4.591 6.969 4.425 1.00 0.00 H new ATOM 0 HA PHE A 97 2.533 8.436 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.953 5.592 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.499 6.129 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.228 6.098 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.371 5.917 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.263 5.617 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.402 5.446 -1.297 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.848 5.290 -1.499 1.00 0.00 H new ATOM 1486 N GLU A 98 2.184 7.283 6.104 1.00 0.00 N ATOM 1487 CA GLU A 98 1.431 7.339 7.360 1.00 0.00 C ATOM 1488 C GLU A 98 1.223 8.754 7.918 1.00 0.00 C ATOM 1489 O GLU A 98 0.305 8.975 8.707 1.00 0.00 O ATOM 1490 CB GLU A 98 2.073 6.420 8.420 1.00 0.00 C ATOM 1491 CG GLU A 98 1.814 4.936 8.206 1.00 0.00 C ATOM 1492 CD GLU A 98 2.392 4.073 9.297 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.726 3.868 10.332 1.00 0.00 O ATOM 1494 OE2 GLU A 98 3.514 3.587 9.150 1.00 0.00 O ATOM 0 H GLU A 98 3.004 6.679 6.157 1.00 0.00 H new ATOM 0 HA GLU A 98 0.432 6.977 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.149 6.591 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.699 6.703 9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.739 4.766 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.238 4.633 7.248 1.00 0.00 H new ATOM 1501 N ALA A 99 2.040 9.699 7.510 1.00 0.00 N ATOM 1502 CA ALA A 99 1.930 11.045 8.032 1.00 0.00 C ATOM 1503 C ALA A 99 1.175 11.954 7.084 1.00 0.00 C ATOM 1504 O ALA A 99 0.762 13.043 7.460 1.00 0.00 O ATOM 1505 CB ALA A 99 3.306 11.615 8.319 1.00 0.00 C ATOM 0 H ALA A 99 2.783 9.564 6.824 1.00 0.00 H new ATOM 0 HA ALA A 99 1.364 10.991 8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.206 12.627 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.813 10.990 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.889 11.638 7.399 1.00 0.00 H new ATOM 1511 N LYS A 100 0.983 11.511 5.858 1.00 0.00 N ATOM 1512 CA LYS A 100 0.356 12.347 4.852 1.00 0.00 C ATOM 1513 C LYS A 100 -0.997 11.840 4.426 1.00 0.00 C ATOM 1514 O LYS A 100 -1.905 12.633 4.128 1.00 0.00 O ATOM 1515 CB LYS A 100 1.255 12.504 3.616 1.00 0.00 C ATOM 1516 CG LYS A 100 2.332 13.582 3.688 1.00 0.00 C ATOM 1517 CD LYS A 100 3.344 13.374 4.792 1.00 0.00 C ATOM 1518 CE LYS A 100 4.385 14.465 4.732 1.00 0.00 C ATOM 1519 NZ LYS A 100 5.434 14.318 5.757 1.00 0.00 N ATOM 0 H LYS A 100 1.250 10.581 5.534 1.00 0.00 H new ATOM 0 HA LYS A 100 0.213 13.319 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.742 11.548 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.619 12.715 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.856 13.621 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.852 14.551 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.847 13.384 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.818 12.398 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.847 14.465 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.897 15.432 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.119 15.095 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.002 14.346 6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.922 13.409 5.626 1.00 0.00 H new ATOM 1533 N TYR A 101 -1.145 10.552 4.399 1.00 0.00 N ATOM 1534 CA TYR A 101 -2.334 9.958 3.882 1.00 0.00 C ATOM 1535 C TYR A 101 -3.143 9.303 4.991 1.00 0.00 C ATOM 1536 O TYR A 101 -2.578 8.695 5.907 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.961 8.943 2.819 1.00 0.00 C ATOM 1538 CG TYR A 101 -1.054 9.504 1.747 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.530 10.368 0.767 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.284 9.165 1.724 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.683 10.874 -0.205 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.130 9.661 0.768 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.650 10.513 -0.193 1.00 0.00 C ATOM 1544 OH TYR A 101 1.507 10.994 -1.154 1.00 0.00 O ATOM 0 H TYR A 101 -0.448 9.887 4.733 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.957 10.735 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.469 8.094 3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.871 8.564 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.573 10.648 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.672 8.494 2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.061 11.543 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.173 9.382 0.771 1.00 0.00 H new ATOM 0 HH TYR A 101 1.954 10.244 -1.599 1.00 0.00 H new ATOM 1554 N PRO A 102 -4.470 9.437 4.935 1.00 0.00 N ATOM 1555 CA PRO A 102 -5.371 8.880 5.935 1.00 0.00 C ATOM 1556 C PRO A 102 -5.652 7.397 5.712 1.00 0.00 C ATOM 1557 O PRO A 102 -5.794 6.936 4.572 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.643 9.686 5.721 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.650 9.956 4.262 1.00 0.00 C ATOM 1560 CD PRO A 102 -5.214 10.174 3.888 1.00 0.00 C ATOM 0 HA PRO A 102 -4.956 8.942 6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.527 9.127 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.633 10.610 6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.077 9.118 3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.254 10.833 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.995 9.788 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.957 11.233 3.883 1.00 0.00 H new ATOM 1568 N VAL A 103 -5.742 6.666 6.790 1.00 0.00 N ATOM 1569 CA VAL A 103 -6.042 5.251 6.726 1.00 0.00 C ATOM 1570 C VAL A 103 -7.542 5.071 6.575 1.00 0.00 C ATOM 1571 O VAL A 103 -8.320 5.416 7.477 1.00 0.00 O ATOM 1572 CB VAL A 103 -5.560 4.490 7.983 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -5.826 3.001 7.842 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -4.090 4.741 8.236 1.00 0.00 C ATOM 0 H VAL A 103 -5.611 7.027 7.735 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.511 4.836 5.869 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.122 4.863 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.480 2.483 8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.896 2.833 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.294 2.617 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.775 4.195 9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.510 4.402 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.924 5.808 8.388 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.946 4.567 5.444 1.00 0.00 N ATOM 1585 CA VAL A 104 -9.367 4.404 5.152 1.00 0.00 C ATOM 1586 C VAL A 104 -9.813 2.932 5.138 1.00 0.00 C ATOM 1587 O VAL A 104 -10.954 2.621 4.770 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.757 5.092 3.826 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -9.577 6.602 3.931 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.923 4.551 2.683 1.00 0.00 C ATOM 0 H VAL A 104 -7.321 4.257 4.699 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.895 4.894 5.970 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.807 4.878 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.857 7.068 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.211 6.989 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.534 6.830 4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.211 5.047 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.868 4.738 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -9.089 3.478 2.587 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.939 2.044 5.538 1.00 0.00 N ATOM 1601 CA GLY A 105 -9.299 0.648 5.600 1.00 0.00 C ATOM 1602 C GLY A 105 -8.093 -0.230 5.664 1.00 0.00 C ATOM 1603 O GLY A 105 -7.019 0.215 6.105 1.00 0.00 O ATOM 0 H GLY A 105 -7.983 2.257 5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.924 0.472 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.894 0.386 4.725 1.00 0.00 H new ATOM 1607 N ARG A 106 -8.230 -1.455 5.233 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.120 -2.386 5.264 1.00 0.00 C ATOM 1609 C ARG A 106 -7.028 -3.132 4.010 1.00 0.00 C ATOM 1610 O ARG A 106 -7.974 -3.172 3.228 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.247 -3.451 6.342 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.432 -4.372 6.210 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.238 -5.546 7.124 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.046 -5.140 8.513 1.00 0.00 N ATOM 1615 CZ ARG A 106 -7.257 -5.754 9.407 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -6.503 -6.784 9.050 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -7.206 -5.305 10.650 1.00 0.00 N ATOM 0 H ARG A 106 -9.097 -1.837 4.855 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.250 -1.757 5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.339 -4.054 6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.300 -2.956 7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.351 -3.843 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.534 -4.710 5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.105 -6.204 7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.374 -6.122 6.793 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.557 -4.317 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.519 -7.118 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.907 -7.243 9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.765 -4.497 10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.608 -5.767 11.335 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.907 -3.739 3.822 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.769 -4.670 2.799 1.00 0.00 C ATOM 1633 C VAL A 107 -5.541 -6.026 3.440 1.00 0.00 C ATOM 1634 O VAL A 107 -4.802 -6.159 4.419 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.653 -4.354 1.792 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.302 -4.476 2.408 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.777 -5.243 0.597 1.00 0.00 C ATOM 0 H VAL A 107 -5.069 -3.591 4.384 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.684 -4.648 2.207 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.767 -3.317 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.540 -4.245 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.218 -3.779 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.158 -5.494 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.982 -5.012 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.695 -6.284 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.745 -5.081 0.122 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.215 -6.973 2.941 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.139 -8.314 3.377 1.00 0.00 C ATOM 1649 C VAL A 108 -5.594 -9.125 2.245 1.00 0.00 C ATOM 1650 O VAL A 108 -5.868 -8.833 1.086 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.524 -8.806 3.856 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.887 -8.005 5.019 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.568 -8.510 2.856 1.00 0.00 C ATOM 0 H VAL A 108 -6.874 -6.836 2.174 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.475 -8.415 4.235 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.463 -9.878 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.862 -8.322 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.140 -8.140 5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.930 -6.953 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.532 -8.867 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.619 -7.434 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.326 -9.010 1.918 1.00 0.00 H new ATOM 1663 N SER A 109 -4.818 -10.093 2.540 1.00 0.00 N ATOM 1664 CA SER A 109 -4.116 -10.759 1.514 1.00 0.00 C ATOM 1665 C SER A 109 -3.975 -12.236 1.832 1.00 0.00 C ATOM 1666 O SER A 109 -3.075 -12.614 2.625 1.00 0.00 O ATOM 1667 CB SER A 109 -2.764 -10.062 1.342 1.00 0.00 C ATOM 1668 OG SER A 109 -1.983 -10.636 0.313 1.00 0.00 O ATOM 1669 OXT SER A 109 -4.777 -13.031 1.278 1.00 0.00 O ATOM 0 H SER A 109 -4.651 -10.444 3.483 1.00 0.00 H new ATOM 0 HA SER A 109 -4.662 -10.707 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.929 -9.007 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.213 -10.110 2.281 1.00 0.00 H new ATOM 0 HG SER A 109 -1.411 -9.948 -0.086 1.00 0.00 H new