USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 521 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 Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -170:sc= 0.168 USER MOD Single : A 13 MET CE :methyl -172:sc= 0 (180deg=-0.0808) USER MOD Single : A 17 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.16) USER MOD Single : A 18 SER OG : rot 4:sc= 0.258 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc=-0.00135 (180deg=-0.127) USER MOD Single : A 46 MET CE :methyl -94:sc= -0.034 (180deg=-0.0661) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.06) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0585) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -12.094 1.937 5.151 1.00 0.00 N ATOM 126 CA PRO A 8 -11.512 0.609 5.182 1.00 0.00 C ATOM 127 C PRO A 8 -10.013 0.741 5.237 1.00 0.00 C ATOM 128 O PRO A 8 -9.481 1.787 4.868 1.00 0.00 O ATOM 129 CB PRO A 8 -11.965 -0.028 3.862 1.00 0.00 C ATOM 130 CG PRO A 8 -12.107 1.153 2.896 1.00 0.00 C ATOM 131 CD PRO A 8 -12.565 2.293 3.808 1.00 0.00 C ATOM 0 HA PRO A 8 -11.816 0.011 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.235 -0.752 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.909 -0.559 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.164 1.386 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.835 0.947 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.146 3.246 3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.650 2.399 3.788 1.00 0.00 H new ATOM 139 N LEU A 9 -9.330 -0.303 5.745 1.00 0.00 N ATOM 140 CA LEU A 9 -7.928 -0.246 6.053 1.00 0.00 C ATOM 141 C LEU A 9 -7.392 -1.567 5.601 1.00 0.00 C ATOM 142 O LEU A 9 -8.150 -2.523 5.438 1.00 0.00 O ATOM 143 CB LEU A 9 -7.679 -0.051 7.573 1.00 0.00 C ATOM 144 CG LEU A 9 -8.086 1.360 8.077 1.00 0.00 C ATOM 145 CD1 LEU A 9 -8.471 1.379 9.568 1.00 0.00 C ATOM 146 CD2 LEU A 9 -7.012 2.418 7.750 1.00 0.00 C ATOM 0 H LEU A 9 -9.758 -1.206 5.947 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.444 0.599 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.239 -0.804 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.623 -0.217 7.787 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.988 1.628 7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.745 2.393 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.317 0.712 9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.623 1.046 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.336 3.391 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.072 2.142 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.868 2.469 6.671 1.00 0.00 H new ATOM 158 N SER A 10 -6.064 -1.630 5.359 1.00 0.00 N ATOM 159 CA SER A 10 -5.388 -2.812 4.883 1.00 0.00 C ATOM 160 C SER A 10 -4.455 -3.202 5.992 1.00 0.00 C ATOM 161 O SER A 10 -4.126 -2.387 6.848 1.00 0.00 O ATOM 162 CB SER A 10 -4.602 -2.546 3.569 1.00 0.00 C ATOM 163 OG SER A 10 -4.047 -3.731 3.008 1.00 0.00 O ATOM 0 H SER A 10 -5.439 -0.836 5.498 1.00 0.00 H new ATOM 0 HA SER A 10 -6.100 -3.601 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.267 -2.082 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.801 -1.834 3.768 1.00 0.00 H new ATOM 0 HG SER A 10 -3.566 -3.508 2.184 1.00 0.00 H new ATOM 169 N ALA A 11 -4.009 -4.480 5.995 1.00 0.00 N ATOM 170 CA ALA A 11 -3.176 -5.057 7.025 1.00 0.00 C ATOM 171 C ALA A 11 -1.785 -4.490 6.963 1.00 0.00 C ATOM 172 O ALA A 11 -1.149 -4.259 7.991 1.00 0.00 O ATOM 173 CB ALA A 11 -3.068 -6.585 6.870 1.00 0.00 C ATOM 0 H ALA A 11 -4.236 -5.140 5.251 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.644 -4.816 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.434 -6.987 7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.061 -7.029 6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.632 -6.822 5.900 1.00 0.00 H new ATOM 179 N TYR A 12 -1.304 -4.229 5.726 1.00 0.00 N ATOM 180 CA TYR A 12 0.000 -3.677 5.450 1.00 0.00 C ATOM 181 C TYR A 12 0.053 -2.241 5.914 1.00 0.00 C ATOM 182 O TYR A 12 1.051 -1.810 6.485 1.00 0.00 O ATOM 183 CB TYR A 12 0.325 -3.764 3.928 1.00 0.00 C ATOM 184 CG TYR A 12 1.695 -3.236 3.556 1.00 0.00 C ATOM 185 CD1 TYR A 12 2.837 -3.573 4.304 1.00 0.00 C ATOM 186 CD2 TYR A 12 1.842 -2.378 2.450 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.093 -3.056 3.966 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.096 -1.853 2.113 1.00 0.00 C ATOM 189 CZ TYR A 12 4.223 -2.192 2.872 1.00 0.00 C ATOM 190 OH TYR A 12 5.492 -1.660 2.564 1.00 0.00 O ATOM 0 H TYR A 12 -1.846 -4.410 4.881 1.00 0.00 H new ATOM 0 HA TYR A 12 0.748 -4.257 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.250 -4.804 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.430 -3.206 3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.744 -4.239 5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.978 -2.122 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.962 -3.324 4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.194 -1.187 1.268 1.00 0.00 H new ATOM 0 HH TYR A 12 5.397 -0.961 1.883 1.00 0.00 H new ATOM 200 N MET A 13 -1.040 -1.475 5.689 1.00 0.00 N ATOM 201 CA MET A 13 -1.081 -0.062 5.981 1.00 0.00 C ATOM 202 C MET A 13 -1.275 0.208 7.452 1.00 0.00 C ATOM 203 O MET A 13 -0.911 1.278 7.935 1.00 0.00 O ATOM 204 CB MET A 13 -2.158 0.696 5.172 1.00 0.00 C ATOM 205 CG MET A 13 -1.944 0.633 3.641 1.00 0.00 C ATOM 206 SD MET A 13 -0.274 1.070 3.030 1.00 0.00 S ATOM 207 CE MET A 13 -0.067 2.689 3.833 1.00 0.00 C ATOM 0 H MET A 13 -1.909 -1.840 5.299 1.00 0.00 H new ATOM 0 HA MET A 13 -0.106 0.317 5.675 1.00 0.00 H new ATOM 0 HB2 MET A 13 -3.138 0.282 5.410 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.168 1.740 5.486 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.176 -0.378 3.306 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.665 1.299 3.168 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.838 3.168 3.458 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.929 3.318 3.611 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.015 2.553 4.911 1.00 0.00 H new ATOM 217 N LEU A 14 -1.820 -0.775 8.209 1.00 0.00 N ATOM 218 CA LEU A 14 -1.982 -0.683 9.644 1.00 0.00 C ATOM 219 C LEU A 14 -0.663 -0.910 10.335 1.00 0.00 C ATOM 220 O LEU A 14 -0.378 -0.298 11.364 1.00 0.00 O ATOM 221 CB LEU A 14 -2.988 -1.715 10.194 1.00 0.00 C ATOM 222 CG LEU A 14 -4.466 -1.355 9.933 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.377 -2.575 10.157 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.920 -0.163 10.795 1.00 0.00 C ATOM 0 H LEU A 14 -2.157 -1.655 7.817 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.362 0.319 9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.777 -2.686 9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.835 -1.819 11.268 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.550 -1.054 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.413 -2.295 9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.087 -3.376 9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.277 -2.919 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.966 0.061 10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.808 -0.413 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.308 0.708 10.562 1.00 0.00 H new ATOM 236 N TRP A 15 0.189 -1.787 9.760 1.00 0.00 N ATOM 237 CA TRP A 15 1.515 -2.059 10.261 1.00 0.00 C ATOM 238 C TRP A 15 2.426 -0.890 9.950 1.00 0.00 C ATOM 239 O TRP A 15 3.385 -0.636 10.675 1.00 0.00 O ATOM 240 CB TRP A 15 2.092 -3.359 9.639 1.00 0.00 C ATOM 241 CG TRP A 15 3.509 -3.727 10.060 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.952 -4.408 11.160 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.683 -3.278 9.362 1.00 0.00 C ATOM 244 NE1 TRP A 15 5.328 -4.421 11.192 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.798 -3.714 10.107 1.00 0.00 C ATOM 246 CE3 TRP A 15 4.839 -2.527 8.200 1.00 0.00 C ATOM 247 CZ2 TRP A 15 7.092 -3.391 9.709 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.140 -2.178 7.817 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.249 -2.598 8.563 1.00 0.00 C ATOM 0 H TRP A 15 -0.047 -2.323 8.925 1.00 0.00 H new ATOM 0 HA TRP A 15 1.453 -2.198 11.340 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.431 -4.186 9.897 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.070 -3.260 8.554 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.313 -4.870 11.898 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.903 -4.877 11.900 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.985 -2.224 7.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.949 -3.740 10.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.291 -1.576 6.933 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.241 -2.306 8.251 1.00 0.00 H new ATOM 260 N LEU A 16 2.129 -0.147 8.857 1.00 0.00 N ATOM 261 CA LEU A 16 2.949 0.926 8.343 1.00 0.00 C ATOM 262 C LEU A 16 3.055 2.056 9.331 1.00 0.00 C ATOM 263 O LEU A 16 4.142 2.588 9.539 1.00 0.00 O ATOM 264 CB LEU A 16 2.396 1.479 7.000 1.00 0.00 C ATOM 265 CG LEU A 16 3.424 1.618 5.850 1.00 0.00 C ATOM 266 CD1 LEU A 16 4.586 2.570 6.178 1.00 0.00 C ATOM 267 CD2 LEU A 16 3.927 0.246 5.362 1.00 0.00 C ATOM 0 H LEU A 16 1.283 -0.299 8.308 1.00 0.00 H new ATOM 0 HA LEU A 16 3.939 0.503 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.591 0.825 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.955 2.458 7.187 1.00 0.00 H new ATOM 0 HG LEU A 16 2.884 2.084 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.267 2.619 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.193 3.565 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.123 2.201 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.646 0.388 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.407 -0.280 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.084 -0.342 4.998 1.00 0.00 H new ATOM 279 N ASN A 17 1.919 2.434 9.971 1.00 0.00 N ATOM 280 CA ASN A 17 1.852 3.567 10.870 1.00 0.00 C ATOM 281 C ASN A 17 2.471 3.264 12.214 1.00 0.00 C ATOM 282 O ASN A 17 2.995 4.164 12.866 1.00 0.00 O ATOM 283 CB ASN A 17 0.422 4.160 11.047 1.00 0.00 C ATOM 284 CG ASN A 17 -0.613 3.158 11.592 1.00 0.00 C ATOM 285 OD1 ASN A 17 -0.589 2.796 12.774 1.00 0.00 O ATOM 286 ND2 ASN A 17 -1.559 2.730 10.705 1.00 0.00 N ATOM 0 H ASN A 17 1.030 1.945 9.863 1.00 0.00 H new ATOM 0 HA ASN A 17 2.444 4.340 10.379 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.476 5.014 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.075 4.537 10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.287 2.083 11.008 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.537 3.057 9.739 1.00 0.00 H new ATOM 293 N SER A 18 2.438 1.983 12.653 1.00 0.00 N ATOM 294 CA SER A 18 2.951 1.583 13.945 1.00 0.00 C ATOM 295 C SER A 18 4.456 1.477 13.887 1.00 0.00 C ATOM 296 O SER A 18 5.145 1.841 14.837 1.00 0.00 O ATOM 297 CB SER A 18 2.320 0.266 14.473 1.00 0.00 C ATOM 298 OG SER A 18 2.369 -0.790 13.522 1.00 0.00 O ATOM 0 H SER A 18 2.051 1.213 12.107 1.00 0.00 H new ATOM 0 HA SER A 18 2.667 2.357 14.658 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.841 -0.043 15.379 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.282 0.451 14.750 1.00 0.00 H new ATOM 0 HG SER A 18 2.858 -0.492 12.727 1.00 0.00 H new ATOM 304 N ALA A 19 4.996 1.001 12.740 1.00 0.00 N ATOM 305 CA ALA A 19 6.415 0.841 12.526 1.00 0.00 C ATOM 306 C ALA A 19 6.997 2.066 11.868 1.00 0.00 C ATOM 307 O ALA A 19 8.122 2.032 11.377 1.00 0.00 O ATOM 308 CB ALA A 19 6.710 -0.369 11.618 1.00 0.00 C ATOM 0 H ALA A 19 4.432 0.719 11.938 1.00 0.00 H new ATOM 0 HA ALA A 19 6.867 0.686 13.506 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.787 -0.463 11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.325 -1.276 12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.227 -0.225 10.651 1.00 0.00 H new ATOM 314 N ARG A 20 6.255 3.200 11.848 1.00 0.00 N ATOM 315 CA ARG A 20 6.673 4.409 11.173 1.00 0.00 C ATOM 316 C ARG A 20 7.698 5.120 12.010 1.00 0.00 C ATOM 317 O ARG A 20 8.662 5.675 11.487 1.00 0.00 O ATOM 318 CB ARG A 20 5.477 5.355 10.891 1.00 0.00 C ATOM 319 CG ARG A 20 5.670 6.317 9.700 1.00 0.00 C ATOM 320 CD ARG A 20 6.265 7.692 10.036 1.00 0.00 C ATOM 321 NE ARG A 20 5.254 8.479 10.828 1.00 0.00 N ATOM 322 CZ ARG A 20 5.470 8.987 12.081 1.00 0.00 C ATOM 323 NH1 ARG A 20 6.635 8.756 12.751 1.00 0.00 N ATOM 324 NH2 ARG A 20 4.493 9.739 12.671 1.00 0.00 N ATOM 0 H ARG A 20 5.348 3.281 12.308 1.00 0.00 H new ATOM 0 HA ARG A 20 7.104 4.127 10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.590 4.749 10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.281 5.945 11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.316 5.832 8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.703 6.469 9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.185 7.575 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.525 8.224 9.121 1.00 0.00 H new ATOM 0 HE ARG A 20 4.343 8.645 10.400 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.369 8.194 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.773 9.145 13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.617 9.915 12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.639 10.124 13.604 1.00 0.00 H new ATOM 338 N GLU A 21 7.504 5.089 13.350 1.00 0.00 N ATOM 339 CA GLU A 21 8.321 5.784 14.315 1.00 0.00 C ATOM 340 C GLU A 21 9.693 5.175 14.437 1.00 0.00 C ATOM 341 O GLU A 21 10.658 5.885 14.711 1.00 0.00 O ATOM 342 CB GLU A 21 7.678 5.798 15.719 1.00 0.00 C ATOM 343 CG GLU A 21 6.300 6.482 15.732 1.00 0.00 C ATOM 344 CD GLU A 21 5.785 6.563 17.167 1.00 0.00 C ATOM 345 OE1 GLU A 21 6.432 7.274 17.983 1.00 0.00 O ATOM 346 OE2 GLU A 21 4.744 5.921 17.465 1.00 0.00 O ATOM 0 H GLU A 21 6.747 4.558 13.780 1.00 0.00 H new ATOM 0 HA GLU A 21 8.404 6.804 13.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.574 4.774 16.077 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.342 6.313 16.413 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.374 7.482 15.304 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.598 5.922 15.114 1.00 0.00 H new ATOM 353 N SER A 22 9.818 3.844 14.223 1.00 0.00 N ATOM 354 CA SER A 22 11.080 3.149 14.323 1.00 0.00 C ATOM 355 C SER A 22 11.933 3.449 13.112 1.00 0.00 C ATOM 356 O SER A 22 13.103 3.798 13.251 1.00 0.00 O ATOM 357 CB SER A 22 10.912 1.619 14.522 1.00 0.00 C ATOM 358 OG SER A 22 10.023 1.038 13.574 1.00 0.00 O ATOM 0 H SER A 22 9.034 3.240 13.977 1.00 0.00 H new ATOM 0 HA SER A 22 11.583 3.518 15.217 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.886 1.137 14.444 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.541 1.426 15.529 1.00 0.00 H new ATOM 0 HG SER A 22 9.952 0.075 13.740 1.00 0.00 H new ATOM 364 N ILE A 23 11.342 3.354 11.896 1.00 0.00 N ATOM 365 CA ILE A 23 12.023 3.487 10.624 1.00 0.00 C ATOM 366 C ILE A 23 12.595 4.878 10.460 1.00 0.00 C ATOM 367 O ILE A 23 13.708 5.028 9.958 1.00 0.00 O ATOM 368 CB ILE A 23 11.104 3.097 9.456 1.00 0.00 C ATOM 369 CG1 ILE A 23 10.790 1.579 9.543 1.00 0.00 C ATOM 370 CG2 ILE A 23 11.723 3.454 8.082 1.00 0.00 C ATOM 371 CD1 ILE A 23 9.735 1.088 8.541 1.00 0.00 C ATOM 0 H ILE A 23 10.343 3.176 11.791 1.00 0.00 H new ATOM 0 HA ILE A 23 12.861 2.790 10.613 1.00 0.00 H new ATOM 0 HB ILE A 23 10.180 3.670 9.538 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.712 1.020 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.449 1.349 10.552 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.038 3.160 7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.899 4.528 8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.668 2.925 7.960 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.579 0.017 8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.797 1.616 8.713 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.080 1.282 7.525 1.00 0.00 H new ATOM 383 N LYS A 24 11.865 5.931 10.902 1.00 0.00 N ATOM 384 CA LYS A 24 12.267 7.307 10.687 1.00 0.00 C ATOM 385 C LYS A 24 13.411 7.750 11.568 1.00 0.00 C ATOM 386 O LYS A 24 14.067 8.740 11.250 1.00 0.00 O ATOM 387 CB LYS A 24 11.087 8.312 10.781 1.00 0.00 C ATOM 388 CG LYS A 24 10.345 8.397 12.131 1.00 0.00 C ATOM 389 CD LYS A 24 10.892 9.403 13.161 1.00 0.00 C ATOM 390 CE LYS A 24 10.685 10.874 12.771 1.00 0.00 C ATOM 391 NZ LYS A 24 11.190 11.781 13.830 1.00 0.00 N ATOM 0 H LYS A 24 10.988 5.831 11.413 1.00 0.00 H new ATOM 0 HA LYS A 24 12.630 7.318 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.468 9.305 10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.360 8.054 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.303 8.648 11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.353 7.407 12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.410 9.222 14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.958 9.221 13.300 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.201 11.081 11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.625 11.063 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.038 12.769 13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.680 11.597 14.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.206 11.614 13.974 1.00 0.00 H new ATOM 405 N ARG A 25 13.686 7.034 12.687 1.00 0.00 N ATOM 406 CA ARG A 25 14.780 7.371 13.574 1.00 0.00 C ATOM 407 C ARG A 25 16.009 6.596 13.189 1.00 0.00 C ATOM 408 O ARG A 25 17.119 7.112 13.297 1.00 0.00 O ATOM 409 CB ARG A 25 14.486 7.104 15.068 1.00 0.00 C ATOM 410 CG ARG A 25 13.333 7.973 15.599 1.00 0.00 C ATOM 411 CD ARG A 25 13.227 8.032 17.130 1.00 0.00 C ATOM 412 NE ARG A 25 14.383 8.844 17.653 1.00 0.00 N ATOM 413 CZ ARG A 25 14.284 9.749 18.676 1.00 0.00 C ATOM 414 NH1 ARG A 25 13.122 9.909 19.372 1.00 0.00 N ATOM 415 NH2 ARG A 25 15.371 10.512 19.000 1.00 0.00 N ATOM 0 H ARG A 25 13.149 6.218 12.980 1.00 0.00 H new ATOM 0 HA ARG A 25 14.929 8.445 13.460 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.238 6.051 15.205 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.385 7.299 15.654 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.455 8.987 15.217 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.394 7.592 15.198 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.281 8.483 17.428 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.248 7.027 17.551 1.00 0.00 H new ATOM 0 HE ARG A 25 15.296 8.712 17.218 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.304 9.348 19.134 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.071 10.589 20.130 1.00 0.00 H new ATOM 0 HH21 ARG A 25 16.243 10.404 18.482 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.310 11.190 19.760 1.00 0.00 H new ATOM 429 N GLU A 26 15.835 5.335 12.726 1.00 0.00 N ATOM 430 CA GLU A 26 16.925 4.460 12.354 1.00 0.00 C ATOM 431 C GLU A 26 17.569 4.935 11.079 1.00 0.00 C ATOM 432 O GLU A 26 18.793 5.024 10.992 1.00 0.00 O ATOM 433 CB GLU A 26 16.461 3.001 12.136 1.00 0.00 C ATOM 434 CG GLU A 26 16.058 2.297 13.444 1.00 0.00 C ATOM 435 CD GLU A 26 15.485 0.920 13.116 1.00 0.00 C ATOM 436 OE1 GLU A 26 16.236 0.090 12.537 1.00 0.00 O ATOM 437 OE2 GLU A 26 14.289 0.681 13.433 1.00 0.00 O ATOM 0 H GLU A 26 14.915 4.911 12.606 1.00 0.00 H new ATOM 0 HA GLU A 26 17.634 4.486 13.182 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.614 2.993 11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.263 2.438 11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.923 2.198 14.099 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.319 2.893 13.980 1.00 0.00 H new ATOM 444 N ASN A 27 16.742 5.261 10.060 1.00 0.00 N ATOM 445 CA ASN A 27 17.219 5.725 8.777 1.00 0.00 C ATOM 446 C ASN A 27 17.341 7.229 8.893 1.00 0.00 C ATOM 447 O ASN A 27 16.501 7.825 9.564 1.00 0.00 O ATOM 448 CB ASN A 27 16.260 5.389 7.606 1.00 0.00 C ATOM 449 CG ASN A 27 16.213 3.873 7.369 1.00 0.00 C ATOM 450 OD1 ASN A 27 16.938 3.348 6.518 1.00 0.00 O ATOM 451 ND2 ASN A 27 15.334 3.164 8.139 1.00 0.00 N ATOM 0 H ASN A 27 15.726 5.203 10.124 1.00 0.00 H new ATOM 0 HA ASN A 27 18.163 5.229 8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.260 5.759 7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.592 5.895 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.255 2.154 8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.757 3.645 8.829 1.00 0.00 H new ATOM 458 N PRO A 28 18.352 7.884 8.319 1.00 0.00 N ATOM 459 CA PRO A 28 18.684 9.266 8.638 1.00 0.00 C ATOM 460 C PRO A 28 17.825 10.241 7.859 1.00 0.00 C ATOM 461 O PRO A 28 18.285 10.785 6.856 1.00 0.00 O ATOM 462 CB PRO A 28 20.162 9.383 8.219 1.00 0.00 C ATOM 463 CG PRO A 28 20.318 8.379 7.072 1.00 0.00 C ATOM 464 CD PRO A 28 19.382 7.248 7.495 1.00 0.00 C ATOM 0 HA PRO A 28 18.512 9.505 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 28 20.404 10.395 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 28 20.829 9.145 9.048 1.00 0.00 H new ATOM 0 HG2 PRO A 28 20.028 8.809 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 28 21.348 8.037 6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.943 6.756 6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 28 19.918 6.483 8.057 1.00 0.00 H new ATOM 472 N GLY A 29 16.576 10.495 8.315 1.00 0.00 N ATOM 473 CA GLY A 29 15.700 11.473 7.714 1.00 0.00 C ATOM 474 C GLY A 29 15.163 10.948 6.419 1.00 0.00 C ATOM 475 O GLY A 29 15.330 11.560 5.365 1.00 0.00 O ATOM 0 H GLY A 29 16.165 10.014 9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.878 11.703 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.242 12.403 7.543 1.00 0.00 H new ATOM 479 N ILE A 30 14.499 9.772 6.487 1.00 0.00 N ATOM 480 CA ILE A 30 13.954 9.089 5.340 1.00 0.00 C ATOM 481 C ILE A 30 12.635 9.742 5.008 1.00 0.00 C ATOM 482 O ILE A 30 11.944 10.256 5.888 1.00 0.00 O ATOM 483 CB ILE A 30 13.838 7.584 5.587 1.00 0.00 C ATOM 484 CG1 ILE A 30 13.489 6.786 4.307 1.00 0.00 C ATOM 485 CG2 ILE A 30 12.876 7.294 6.762 1.00 0.00 C ATOM 486 CD1 ILE A 30 13.631 5.267 4.464 1.00 0.00 C ATOM 0 H ILE A 30 14.335 9.280 7.365 1.00 0.00 H new ATOM 0 HA ILE A 30 14.620 9.179 4.482 1.00 0.00 H new ATOM 0 HB ILE A 30 14.825 7.225 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.465 7.017 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.135 7.120 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.809 6.218 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.253 7.771 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.887 7.689 6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 30 13.369 4.778 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.661 5.023 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.964 4.919 5.253 1.00 0.00 H new ATOM 498 N LYS A 31 12.275 9.764 3.701 1.00 0.00 N ATOM 499 CA LYS A 31 11.073 10.397 3.214 1.00 0.00 C ATOM 500 C LYS A 31 9.952 9.425 3.441 1.00 0.00 C ATOM 501 O LYS A 31 10.179 8.222 3.529 1.00 0.00 O ATOM 502 CB LYS A 31 11.123 10.770 1.709 1.00 0.00 C ATOM 503 CG LYS A 31 12.000 11.995 1.366 1.00 0.00 C ATOM 504 CD LYS A 31 13.519 11.806 1.526 1.00 0.00 C ATOM 505 CE LYS A 31 14.323 13.027 1.055 1.00 0.00 C ATOM 506 NZ LYS A 31 15.776 12.826 1.266 1.00 0.00 N ATOM 0 H LYS A 31 12.833 9.331 2.965 1.00 0.00 H new ATOM 0 HA LYS A 31 10.941 11.337 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.492 9.910 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.107 10.962 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.797 12.284 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.689 12.827 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.748 11.608 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.833 10.929 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.128 13.208 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.993 13.914 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.294 13.666 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.962 12.677 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.093 11.993 0.729 1.00 0.00 H new ATOM 520 N VAL A 32 8.711 9.949 3.565 1.00 0.00 N ATOM 521 CA VAL A 32 7.542 9.224 4.016 1.00 0.00 C ATOM 522 C VAL A 32 7.086 8.204 2.990 1.00 0.00 C ATOM 523 O VAL A 32 6.545 7.156 3.340 1.00 0.00 O ATOM 524 CB VAL A 32 6.435 10.191 4.435 1.00 0.00 C ATOM 525 CG1 VAL A 32 6.048 11.138 3.279 1.00 0.00 C ATOM 526 CG2 VAL A 32 5.227 9.442 5.039 1.00 0.00 C ATOM 0 H VAL A 32 8.509 10.923 3.341 1.00 0.00 H new ATOM 0 HA VAL A 32 7.812 8.651 4.903 1.00 0.00 H new ATOM 0 HB VAL A 32 6.824 10.826 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.258 11.813 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.919 11.719 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.693 10.552 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.459 10.161 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.820 8.752 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.548 8.884 5.919 1.00 0.00 H new ATOM 536 N THR A 33 7.358 8.465 1.690 1.00 0.00 N ATOM 537 CA THR A 33 7.082 7.565 0.592 1.00 0.00 C ATOM 538 C THR A 33 8.025 6.387 0.626 1.00 0.00 C ATOM 539 O THR A 33 7.655 5.274 0.256 1.00 0.00 O ATOM 540 CB THR A 33 7.205 8.265 -0.755 1.00 0.00 C ATOM 541 OG1 THR A 33 8.320 9.155 -0.780 1.00 0.00 O ATOM 542 CG2 THR A 33 5.908 9.061 -0.992 1.00 0.00 C ATOM 0 H THR A 33 7.788 9.339 1.388 1.00 0.00 H new ATOM 0 HA THR A 33 6.055 7.220 0.710 1.00 0.00 H new ATOM 0 HB THR A 33 7.360 7.520 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.374 9.588 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.967 9.575 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.058 8.379 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.780 9.794 -0.195 1.00 0.00 H new ATOM 550 N GLU A 34 9.271 6.616 1.097 1.00 0.00 N ATOM 551 CA GLU A 34 10.320 5.630 1.115 1.00 0.00 C ATOM 552 C GLU A 34 10.249 4.783 2.363 1.00 0.00 C ATOM 553 O GLU A 34 11.009 3.829 2.497 1.00 0.00 O ATOM 554 CB GLU A 34 11.718 6.286 1.015 1.00 0.00 C ATOM 555 CG GLU A 34 11.920 7.133 -0.257 1.00 0.00 C ATOM 556 CD GLU A 34 11.873 6.242 -1.497 1.00 0.00 C ATOM 557 OE1 GLU A 34 12.942 5.685 -1.864 1.00 0.00 O ATOM 558 OE2 GLU A 34 10.770 6.105 -2.091 1.00 0.00 O ATOM 0 H GLU A 34 9.559 7.517 1.478 1.00 0.00 H new ATOM 0 HA GLU A 34 10.171 4.993 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.876 6.918 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.478 5.505 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.146 7.898 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.877 7.652 -0.209 1.00 0.00 H new ATOM 565 N VAL A 35 9.297 5.073 3.287 1.00 0.00 N ATOM 566 CA VAL A 35 9.001 4.226 4.428 1.00 0.00 C ATOM 567 C VAL A 35 8.198 3.047 3.923 1.00 0.00 C ATOM 568 O VAL A 35 8.357 1.926 4.401 1.00 0.00 O ATOM 569 CB VAL A 35 8.239 4.948 5.540 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.947 4.005 6.728 1.00 0.00 C ATOM 571 CG2 VAL A 35 9.083 6.142 6.025 1.00 0.00 C ATOM 0 H VAL A 35 8.719 5.912 3.243 1.00 0.00 H new ATOM 0 HA VAL A 35 9.943 3.910 4.876 1.00 0.00 H new ATOM 0 HB VAL A 35 7.284 5.291 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.404 4.550 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.344 3.164 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.887 3.634 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.550 6.666 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.038 5.781 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.258 6.825 5.194 1.00 0.00 H new ATOM 581 N ALA A 36 7.340 3.275 2.896 1.00 0.00 N ATOM 582 CA ALA A 36 6.533 2.249 2.272 1.00 0.00 C ATOM 583 C ALA A 36 7.364 1.381 1.358 1.00 0.00 C ATOM 584 O ALA A 36 6.946 0.284 0.991 1.00 0.00 O ATOM 585 CB ALA A 36 5.385 2.844 1.434 1.00 0.00 C ATOM 0 H ALA A 36 7.203 4.199 2.487 1.00 0.00 H new ATOM 0 HA ALA A 36 6.120 1.657 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.806 2.037 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.737 3.441 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.798 3.476 0.647 1.00 0.00 H new ATOM 591 N LYS A 37 8.577 1.852 0.984 1.00 0.00 N ATOM 592 CA LYS A 37 9.517 1.107 0.185 1.00 0.00 C ATOM 593 C LYS A 37 10.293 0.189 1.097 1.00 0.00 C ATOM 594 O LYS A 37 10.450 -0.999 0.818 1.00 0.00 O ATOM 595 CB LYS A 37 10.513 2.045 -0.550 1.00 0.00 C ATOM 596 CG LYS A 37 11.407 1.349 -1.594 1.00 0.00 C ATOM 597 CD LYS A 37 10.653 0.988 -2.883 1.00 0.00 C ATOM 598 CE LYS A 37 11.419 0.060 -3.838 1.00 0.00 C ATOM 599 NZ LYS A 37 11.631 -1.276 -3.231 1.00 0.00 N ATOM 0 H LYS A 37 8.914 2.779 1.245 1.00 0.00 H new ATOM 0 HA LYS A 37 8.964 0.544 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.948 2.835 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.151 2.526 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.245 2.001 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.826 0.442 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.710 0.512 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.406 1.908 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.864 -0.045 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.382 0.506 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.964 -1.939 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.343 -1.205 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.735 -1.622 -2.831 1.00 0.00 H new ATOM 613 N ARG A 38 10.800 0.748 2.223 1.00 0.00 N ATOM 614 CA ARG A 38 11.727 0.108 3.131 1.00 0.00 C ATOM 615 C ARG A 38 11.029 -0.949 3.948 1.00 0.00 C ATOM 616 O ARG A 38 11.563 -2.037 4.163 1.00 0.00 O ATOM 617 CB ARG A 38 12.377 1.162 4.070 1.00 0.00 C ATOM 618 CG ARG A 38 13.791 0.833 4.591 1.00 0.00 C ATOM 619 CD ARG A 38 13.871 -0.181 5.743 1.00 0.00 C ATOM 620 NE ARG A 38 15.312 -0.341 6.143 1.00 0.00 N ATOM 621 CZ ARG A 38 16.185 -1.186 5.509 1.00 0.00 C ATOM 622 NH1 ARG A 38 15.772 -1.996 4.490 1.00 0.00 N ATOM 623 NH2 ARG A 38 17.492 -1.213 5.904 1.00 0.00 N ATOM 0 H ARG A 38 10.552 1.693 2.516 1.00 0.00 H new ATOM 0 HA ARG A 38 12.508 -0.370 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.421 2.113 3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.721 1.306 4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.383 0.453 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.260 1.761 4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.279 0.163 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.456 -1.140 5.432 1.00 0.00 H new ATOM 0 HE ARG A 38 15.658 0.209 6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.798 -1.979 4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.438 -2.618 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.808 -0.609 6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.152 -1.837 5.440 1.00 0.00 H new ATOM 637 N GLY A 39 9.794 -0.647 4.411 1.00 0.00 N ATOM 638 CA GLY A 39 9.053 -1.468 5.340 1.00 0.00 C ATOM 639 C GLY A 39 8.398 -2.657 4.696 1.00 0.00 C ATOM 640 O GLY A 39 7.765 -3.457 5.381 1.00 0.00 O ATOM 0 H GLY A 39 9.292 0.196 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.726 -1.814 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.289 -0.859 5.822 1.00 0.00 H new ATOM 644 N GLY A 40 8.558 -2.830 3.362 1.00 0.00 N ATOM 645 CA GLY A 40 8.037 -3.968 2.642 1.00 0.00 C ATOM 646 C GLY A 40 8.872 -5.186 2.909 1.00 0.00 C ATOM 647 O GLY A 40 8.382 -6.310 2.829 1.00 0.00 O ATOM 0 H GLY A 40 9.059 -2.167 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.006 -4.154 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.025 -3.755 1.573 1.00 0.00 H new ATOM 651 N GLU A 41 10.163 -4.977 3.259 1.00 0.00 N ATOM 652 CA GLU A 41 11.117 -6.023 3.533 1.00 0.00 C ATOM 653 C GLU A 41 10.848 -6.629 4.884 1.00 0.00 C ATOM 654 O GLU A 41 10.994 -7.835 5.078 1.00 0.00 O ATOM 655 CB GLU A 41 12.570 -5.489 3.523 1.00 0.00 C ATOM 656 CG GLU A 41 12.963 -4.782 2.210 1.00 0.00 C ATOM 657 CD GLU A 41 12.799 -5.736 1.028 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.499 -6.783 1.012 1.00 0.00 O ATOM 659 OE2 GLU A 41 11.967 -5.434 0.133 1.00 0.00 O ATOM 0 H GLU A 41 10.559 -4.042 3.355 1.00 0.00 H new ATOM 0 HA GLU A 41 11.007 -6.771 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.697 -4.793 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.254 -6.320 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.341 -3.899 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.996 -4.438 2.269 1.00 0.00 H new ATOM 666 N LEU A 42 10.422 -5.785 5.851 1.00 0.00 N ATOM 667 CA LEU A 42 10.139 -6.186 7.207 1.00 0.00 C ATOM 668 C LEU A 42 8.803 -6.878 7.283 1.00 0.00 C ATOM 669 O LEU A 42 8.597 -7.722 8.151 1.00 0.00 O ATOM 670 CB LEU A 42 10.096 -4.976 8.168 1.00 0.00 C ATOM 671 CG LEU A 42 11.451 -4.245 8.339 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.266 -2.918 9.103 1.00 0.00 C ATOM 673 CD2 LEU A 42 12.512 -5.129 9.026 1.00 0.00 C ATOM 0 H LEU A 42 10.269 -4.790 5.685 1.00 0.00 H new ATOM 0 HA LEU A 42 10.942 -6.859 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.356 -4.264 7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.755 -5.316 9.146 1.00 0.00 H new ATOM 0 HG LEU A 42 11.821 -4.022 7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.231 -2.423 9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.586 -2.271 8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.850 -3.121 10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.443 -4.571 9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.159 -5.419 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.685 -6.023 8.426 1.00 0.00 H new ATOM 685 N TRP A 43 7.872 -6.541 6.359 1.00 0.00 N ATOM 686 CA TRP A 43 6.537 -7.095 6.307 1.00 0.00 C ATOM 687 C TRP A 43 6.563 -8.510 5.771 1.00 0.00 C ATOM 688 O TRP A 43 5.712 -9.326 6.120 1.00 0.00 O ATOM 689 CB TRP A 43 5.600 -6.218 5.442 1.00 0.00 C ATOM 690 CG TRP A 43 4.147 -6.654 5.348 1.00 0.00 C ATOM 691 CD1 TRP A 43 3.474 -7.044 4.228 1.00 0.00 C ATOM 692 CD2 TRP A 43 3.193 -6.705 6.428 1.00 0.00 C ATOM 693 NE1 TRP A 43 2.154 -7.298 4.520 1.00 0.00 N ATOM 694 CE2 TRP A 43 1.957 -7.091 5.867 1.00 0.00 C ATOM 695 CE3 TRP A 43 3.315 -6.448 7.790 1.00 0.00 C ATOM 696 CZ2 TRP A 43 0.816 -7.208 6.655 1.00 0.00 C ATOM 697 CZ3 TRP A 43 2.173 -6.607 8.590 1.00 0.00 C ATOM 698 CH2 TRP A 43 0.939 -6.963 8.030 1.00 0.00 C ATOM 0 H TRP A 43 8.052 -5.860 5.622 1.00 0.00 H new ATOM 0 HA TRP A 43 6.148 -7.112 7.325 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.625 -5.202 5.837 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.009 -6.178 4.432 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.916 -7.140 3.247 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.441 -7.590 3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.257 -6.137 8.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.135 -7.479 6.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.247 -6.452 9.656 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.071 -7.050 8.666 1.00 0.00 H new ATOM 709 N ARG A 44 7.573 -8.838 4.930 1.00 0.00 N ATOM 710 CA ARG A 44 7.790 -10.171 4.411 1.00 0.00 C ATOM 711 C ARG A 44 8.210 -11.096 5.523 1.00 0.00 C ATOM 712 O ARG A 44 7.712 -12.216 5.626 1.00 0.00 O ATOM 713 CB ARG A 44 8.898 -10.195 3.333 1.00 0.00 C ATOM 714 CG ARG A 44 8.451 -9.599 1.989 1.00 0.00 C ATOM 715 CD ARG A 44 9.633 -9.358 1.040 1.00 0.00 C ATOM 716 NE ARG A 44 9.092 -9.013 -0.320 1.00 0.00 N ATOM 717 CZ ARG A 44 9.524 -9.593 -1.484 1.00 0.00 C ATOM 718 NH1 ARG A 44 10.538 -10.507 -1.488 1.00 0.00 N ATOM 719 NH2 ARG A 44 8.924 -9.251 -2.663 1.00 0.00 N ATOM 0 H ARG A 44 8.259 -8.159 4.600 1.00 0.00 H new ATOM 0 HA ARG A 44 6.849 -10.496 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.763 -9.641 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.221 -11.224 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.737 -10.272 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.931 -8.657 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.260 -8.549 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.260 -10.247 0.983 1.00 0.00 H new ATOM 0 HE ARG A 44 8.360 -8.305 -0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.990 -10.771 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.843 -10.926 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.164 -8.571 -2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.236 -9.676 -3.536 1.00 0.00 H new ATOM 733 N ALA A 45 9.130 -10.624 6.396 1.00 0.00 N ATOM 734 CA ALA A 45 9.678 -11.400 7.483 1.00 0.00 C ATOM 735 C ALA A 45 8.908 -11.156 8.759 1.00 0.00 C ATOM 736 O ALA A 45 9.434 -11.360 9.852 1.00 0.00 O ATOM 737 CB ALA A 45 11.154 -11.030 7.736 1.00 0.00 C ATOM 0 H ALA A 45 9.504 -9.677 6.346 1.00 0.00 H new ATOM 0 HA ALA A 45 9.603 -12.449 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.543 -11.629 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.738 -11.227 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.226 -9.973 7.991 1.00 0.00 H new ATOM 743 N MET A 46 7.629 -10.723 8.650 1.00 0.00 N ATOM 744 CA MET A 46 6.786 -10.410 9.782 1.00 0.00 C ATOM 745 C MET A 46 6.132 -11.687 10.233 1.00 0.00 C ATOM 746 O MET A 46 6.226 -12.048 11.405 1.00 0.00 O ATOM 747 CB MET A 46 5.733 -9.336 9.420 1.00 0.00 C ATOM 748 CG MET A 46 5.120 -8.573 10.607 1.00 0.00 C ATOM 749 SD MET A 46 3.889 -9.497 11.566 1.00 0.00 S ATOM 750 CE MET A 46 3.376 -8.092 12.591 1.00 0.00 C ATOM 0 H MET A 46 7.167 -10.586 7.751 1.00 0.00 H new ATOM 0 HA MET A 46 7.386 -9.992 10.590 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.195 -8.613 8.747 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.927 -9.817 8.866 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.924 -8.268 11.276 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.655 -7.662 10.231 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.945 -8.093 13.521 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.562 -7.162 12.053 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.313 -8.175 12.816 1.00 0.00 H new ATOM 760 N LYS A 47 5.486 -12.397 9.274 1.00 0.00 N ATOM 761 CA LYS A 47 4.944 -13.732 9.409 1.00 0.00 C ATOM 762 C LYS A 47 3.579 -13.724 10.045 1.00 0.00 C ATOM 763 O LYS A 47 2.584 -13.982 9.368 1.00 0.00 O ATOM 764 CB LYS A 47 5.878 -14.772 10.080 1.00 0.00 C ATOM 765 CG LYS A 47 5.462 -16.232 9.829 1.00 0.00 C ATOM 766 CD LYS A 47 6.398 -17.240 10.518 1.00 0.00 C ATOM 767 CE LYS A 47 6.079 -18.708 10.197 1.00 0.00 C ATOM 768 NZ LYS A 47 6.315 -19.012 8.765 1.00 0.00 N ATOM 0 H LYS A 47 5.332 -12.013 8.342 1.00 0.00 H new ATOM 0 HA LYS A 47 4.849 -14.079 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.894 -14.625 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.898 -14.589 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.444 -16.383 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.453 -16.424 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.425 -17.029 10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.342 -17.094 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.696 -19.360 10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.040 -18.920 10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.222 -20.036 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.616 -18.507 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.273 -18.706 8.498 1.00 0.00 H new ATOM 782 N ASP A 48 3.505 -13.437 11.367 1.00 0.00 N ATOM 783 CA ASP A 48 2.293 -13.525 12.155 1.00 0.00 C ATOM 784 C ASP A 48 1.584 -12.200 12.069 1.00 0.00 C ATOM 785 O ASP A 48 1.625 -11.384 12.988 1.00 0.00 O ATOM 786 CB ASP A 48 2.554 -13.855 13.649 1.00 0.00 C ATOM 787 CG ASP A 48 3.127 -15.267 13.792 1.00 0.00 C ATOM 788 OD1 ASP A 48 4.315 -15.474 13.423 1.00 0.00 O ATOM 789 OD2 ASP A 48 2.380 -16.158 14.278 1.00 0.00 O ATOM 0 H ASP A 48 4.314 -13.133 11.909 1.00 0.00 H new ATOM 0 HA ASP A 48 1.695 -14.341 11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.249 -13.129 14.072 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.625 -13.774 14.213 1.00 0.00 H new ATOM 794 N LYS A 49 0.910 -11.975 10.922 1.00 0.00 N ATOM 795 CA LYS A 49 0.327 -10.717 10.529 1.00 0.00 C ATOM 796 C LYS A 49 -1.125 -10.663 10.928 1.00 0.00 C ATOM 797 O LYS A 49 -1.823 -9.709 10.593 1.00 0.00 O ATOM 798 CB LYS A 49 0.408 -10.564 8.990 1.00 0.00 C ATOM 799 CG LYS A 49 1.858 -10.507 8.470 1.00 0.00 C ATOM 800 CD LYS A 49 1.986 -10.597 6.939 1.00 0.00 C ATOM 801 CE LYS A 49 1.751 -12.010 6.386 1.00 0.00 C ATOM 802 NZ LYS A 49 1.893 -12.036 4.911 1.00 0.00 N ATOM 0 H LYS A 49 0.762 -12.709 10.229 1.00 0.00 H new ATOM 0 HA LYS A 49 0.877 -9.916 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.109 -11.400 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.116 -9.656 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.316 -9.577 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.425 -11.323 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.271 -9.913 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.981 -10.261 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.463 -12.703 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.754 -12.352 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.729 -13.002 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.197 -11.392 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.852 -11.732 4.649 1.00 0.00 H new ATOM 816 N SER A 50 -1.599 -11.693 11.673 1.00 0.00 N ATOM 817 CA SER A 50 -2.988 -11.981 11.966 1.00 0.00 C ATOM 818 C SER A 50 -3.676 -10.887 12.751 1.00 0.00 C ATOM 819 O SER A 50 -4.889 -10.718 12.642 1.00 0.00 O ATOM 820 CB SER A 50 -3.108 -13.330 12.727 1.00 0.00 C ATOM 821 OG SER A 50 -4.444 -13.820 12.766 1.00 0.00 O ATOM 0 H SER A 50 -0.969 -12.372 12.101 1.00 0.00 H new ATOM 0 HA SER A 50 -3.497 -12.045 11.004 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.467 -14.071 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.742 -13.202 13.746 1.00 0.00 H new ATOM 0 HG SER A 50 -4.467 -14.670 13.253 1.00 0.00 H new ATOM 827 N GLU A 51 -2.904 -10.096 13.535 1.00 0.00 N ATOM 828 CA GLU A 51 -3.385 -8.981 14.320 1.00 0.00 C ATOM 829 C GLU A 51 -3.974 -7.917 13.427 1.00 0.00 C ATOM 830 O GLU A 51 -5.078 -7.424 13.657 1.00 0.00 O ATOM 831 CB GLU A 51 -2.227 -8.352 15.135 1.00 0.00 C ATOM 832 CG GLU A 51 -2.644 -7.198 16.067 1.00 0.00 C ATOM 833 CD GLU A 51 -1.420 -6.699 16.832 1.00 0.00 C ATOM 834 OE1 GLU A 51 -0.830 -7.509 17.597 1.00 0.00 O ATOM 835 OE2 GLU A 51 -1.058 -5.504 16.663 1.00 0.00 O ATOM 0 H GLU A 51 -1.898 -10.239 13.627 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.151 -9.359 14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.758 -9.132 15.734 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.471 -7.985 14.441 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.080 -6.385 15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.410 -7.537 16.765 1.00 0.00 H new ATOM 842 N TRP A 52 -3.224 -7.562 12.362 1.00 0.00 N ATOM 843 CA TRP A 52 -3.544 -6.477 11.473 1.00 0.00 C ATOM 844 C TRP A 52 -4.545 -6.917 10.443 1.00 0.00 C ATOM 845 O TRP A 52 -5.353 -6.114 9.984 1.00 0.00 O ATOM 846 CB TRP A 52 -2.289 -5.956 10.739 1.00 0.00 C ATOM 847 CG TRP A 52 -1.129 -5.627 11.660 1.00 0.00 C ATOM 848 CD1 TRP A 52 0.082 -6.253 11.753 1.00 0.00 C ATOM 849 CD2 TRP A 52 -1.115 -4.572 12.641 1.00 0.00 C ATOM 850 NE1 TRP A 52 0.864 -5.641 12.704 1.00 0.00 N ATOM 851 CE2 TRP A 52 0.154 -4.597 13.254 1.00 0.00 C ATOM 852 CE3 TRP A 52 -2.076 -3.639 13.019 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.494 -3.672 14.236 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -1.733 -2.703 14.006 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.464 -2.716 14.602 1.00 0.00 C ATOM 0 H TRP A 52 -2.363 -8.047 12.110 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.960 -5.677 12.085 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.965 -6.706 10.017 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.556 -5.063 10.174 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.382 -7.107 11.164 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.813 -5.915 12.960 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.056 -3.636 12.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.468 -3.690 14.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.457 -1.962 14.311 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.221 -1.979 15.353 1.00 0.00 H new ATOM 866 N GLU A 53 -4.522 -8.220 10.070 1.00 0.00 N ATOM 867 CA GLU A 53 -5.412 -8.806 9.094 1.00 0.00 C ATOM 868 C GLU A 53 -6.809 -8.917 9.642 1.00 0.00 C ATOM 869 O GLU A 53 -7.776 -8.747 8.904 1.00 0.00 O ATOM 870 CB GLU A 53 -4.948 -10.214 8.650 1.00 0.00 C ATOM 871 CG GLU A 53 -3.654 -10.177 7.815 1.00 0.00 C ATOM 872 CD GLU A 53 -3.167 -11.598 7.535 1.00 0.00 C ATOM 873 OE1 GLU A 53 -2.848 -12.321 8.516 1.00 0.00 O ATOM 874 OE2 GLU A 53 -3.099 -11.978 6.336 1.00 0.00 O ATOM 0 H GLU A 53 -3.860 -8.891 10.461 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.397 -8.142 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.789 -10.835 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.739 -10.686 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.833 -9.654 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.884 -9.619 8.348 1.00 0.00 H new ATOM 881 N ALA A 54 -6.943 -9.178 10.965 1.00 0.00 N ATOM 882 CA ALA A 54 -8.216 -9.297 11.640 1.00 0.00 C ATOM 883 C ALA A 54 -8.885 -7.953 11.747 1.00 0.00 C ATOM 884 O ALA A 54 -10.097 -7.840 11.575 1.00 0.00 O ATOM 885 CB ALA A 54 -8.062 -9.855 13.068 1.00 0.00 C ATOM 0 H ALA A 54 -6.144 -9.310 11.585 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.817 -9.984 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.043 -9.928 13.538 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.606 -10.844 13.025 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.428 -9.188 13.653 1.00 0.00 H new ATOM 891 N LYS A 55 -8.086 -6.897 12.022 1.00 0.00 N ATOM 892 CA LYS A 55 -8.558 -5.545 12.204 1.00 0.00 C ATOM 893 C LYS A 55 -8.995 -4.965 10.882 1.00 0.00 C ATOM 894 O LYS A 55 -10.021 -4.294 10.801 1.00 0.00 O ATOM 895 CB LYS A 55 -7.445 -4.654 12.817 1.00 0.00 C ATOM 896 CG LYS A 55 -7.837 -3.210 13.196 1.00 0.00 C ATOM 897 CD LYS A 55 -8.490 -3.030 14.583 1.00 0.00 C ATOM 898 CE LYS A 55 -9.958 -3.474 14.686 1.00 0.00 C ATOM 899 NZ LYS A 55 -10.521 -3.137 16.017 1.00 0.00 N ATOM 0 H LYS A 55 -7.075 -6.985 12.122 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.407 -5.570 12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.068 -5.149 13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.619 -4.606 12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.943 -2.588 13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.525 -2.831 12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.907 -3.589 15.315 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.426 -1.978 14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.544 -2.989 13.905 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.030 -4.549 14.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.513 -3.446 16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.973 -3.619 16.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.472 -2.109 16.164 1.00 0.00 H new ATOM 913 N ALA A 56 -8.220 -5.251 9.809 1.00 0.00 N ATOM 914 CA ALA A 56 -8.447 -4.774 8.464 1.00 0.00 C ATOM 915 C ALA A 56 -9.674 -5.396 7.853 1.00 0.00 C ATOM 916 O ALA A 56 -10.388 -4.746 7.092 1.00 0.00 O ATOM 917 CB ALA A 56 -7.262 -5.113 7.542 1.00 0.00 C ATOM 0 H ALA A 56 -7.393 -5.844 9.881 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.572 -3.694 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.464 -4.741 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.356 -4.645 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.125 -6.194 7.507 1.00 0.00 H new ATOM 923 N ALA A 57 -9.945 -6.679 8.193 1.00 0.00 N ATOM 924 CA ALA A 57 -11.058 -7.443 7.679 1.00 0.00 C ATOM 925 C ALA A 57 -12.358 -6.889 8.189 1.00 0.00 C ATOM 926 O ALA A 57 -13.294 -6.686 7.419 1.00 0.00 O ATOM 927 CB ALA A 57 -10.983 -8.928 8.085 1.00 0.00 C ATOM 0 H ALA A 57 -9.369 -7.205 8.850 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.006 -7.368 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.841 -9.461 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.064 -9.366 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.991 -9.009 9.172 1.00 0.00 H new ATOM 933 N LYS A 58 -12.422 -6.593 9.509 1.00 0.00 N ATOM 934 CA LYS A 58 -13.595 -6.049 10.154 1.00 0.00 C ATOM 935 C LYS A 58 -13.851 -4.642 9.684 1.00 0.00 C ATOM 936 O LYS A 58 -15.000 -4.262 9.480 1.00 0.00 O ATOM 937 CB LYS A 58 -13.471 -6.040 11.694 1.00 0.00 C ATOM 938 CG LYS A 58 -13.443 -7.456 12.291 1.00 0.00 C ATOM 939 CD LYS A 58 -13.262 -7.472 13.816 1.00 0.00 C ATOM 940 CE LYS A 58 -13.235 -8.896 14.392 1.00 0.00 C ATOM 941 NZ LYS A 58 -13.096 -8.882 15.867 1.00 0.00 N ATOM 0 H LYS A 58 -11.638 -6.735 10.146 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.426 -6.698 9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.561 -5.511 11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.308 -5.486 12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.372 -7.967 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.632 -8.020 11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.334 -6.962 14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.073 -6.911 14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.151 -9.418 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.407 -9.452 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.081 -9.859 16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.210 -8.405 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.900 -8.373 16.287 1.00 0.00 H new ATOM 955 N ALA A 59 -12.775 -3.851 9.452 1.00 0.00 N ATOM 956 CA ALA A 59 -12.854 -2.481 8.991 1.00 0.00 C ATOM 957 C ALA A 59 -13.453 -2.381 7.609 1.00 0.00 C ATOM 958 O ALA A 59 -14.099 -1.388 7.283 1.00 0.00 O ATOM 959 CB ALA A 59 -11.471 -1.800 8.948 1.00 0.00 C ATOM 0 H ALA A 59 -11.817 -4.173 9.589 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.495 -1.974 9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.581 -0.774 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.036 -1.796 9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.817 -2.348 8.270 1.00 0.00 H new ATOM 965 N LYS A 60 -13.265 -3.431 6.774 1.00 0.00 N ATOM 966 CA LYS A 60 -13.805 -3.507 5.438 1.00 0.00 C ATOM 967 C LYS A 60 -15.286 -3.781 5.492 1.00 0.00 C ATOM 968 O LYS A 60 -16.062 -3.116 4.807 1.00 0.00 O ATOM 969 CB LYS A 60 -13.123 -4.616 4.599 1.00 0.00 C ATOM 970 CG LYS A 60 -13.584 -4.672 3.131 1.00 0.00 C ATOM 971 CD LYS A 60 -12.938 -5.821 2.341 1.00 0.00 C ATOM 972 CE LYS A 60 -13.388 -5.894 0.873 1.00 0.00 C ATOM 973 NZ LYS A 60 -14.851 -6.118 0.758 1.00 0.00 N ATOM 0 H LYS A 60 -12.721 -4.253 7.036 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.614 -2.546 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.044 -4.463 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.318 -5.581 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.668 -4.782 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.346 -3.726 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.854 -5.708 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.175 -6.765 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.120 -4.968 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.856 -6.700 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.100 -6.280 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.120 -6.949 1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.359 -5.282 1.110 1.00 0.00 H new ATOM 987 N ASP A 61 -15.712 -4.771 6.313 1.00 0.00 N ATOM 988 CA ASP A 61 -17.085 -5.236 6.367 1.00 0.00 C ATOM 989 C ASP A 61 -17.987 -4.210 6.999 1.00 0.00 C ATOM 990 O ASP A 61 -19.107 -3.999 6.535 1.00 0.00 O ATOM 991 CB ASP A 61 -17.260 -6.552 7.169 1.00 0.00 C ATOM 992 CG ASP A 61 -16.535 -7.705 6.474 1.00 0.00 C ATOM 993 OD1 ASP A 61 -16.758 -7.892 5.248 1.00 0.00 O ATOM 994 OD2 ASP A 61 -15.761 -8.420 7.164 1.00 0.00 O ATOM 0 H ASP A 61 -15.092 -5.263 6.956 1.00 0.00 H new ATOM 0 HA ASP A 61 -17.356 -5.414 5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.868 -6.424 8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.320 -6.787 7.266 1.00 0.00 H new ATOM 999 N ASP A 62 -17.502 -3.534 8.070 1.00 0.00 N ATOM 1000 CA ASP A 62 -18.250 -2.524 8.788 1.00 0.00 C ATOM 1001 C ASP A 62 -18.415 -1.289 7.944 1.00 0.00 C ATOM 1002 O ASP A 62 -19.429 -0.607 8.058 1.00 0.00 O ATOM 1003 CB ASP A 62 -17.603 -2.094 10.133 1.00 0.00 C ATOM 1004 CG ASP A 62 -17.690 -3.221 11.166 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -18.810 -3.768 11.349 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -16.647 -3.533 11.800 1.00 0.00 O ATOM 0 H ASP A 62 -16.568 -3.692 8.448 1.00 0.00 H new ATOM 0 HA ASP A 62 -19.210 -2.990 9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.559 -1.825 9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -18.105 -1.205 10.515 1.00 0.00 H new ATOM 1011 N TYR A 63 -17.441 -0.990 7.049 1.00 0.00 N ATOM 1012 CA TYR A 63 -17.517 0.121 6.124 1.00 0.00 C ATOM 1013 C TYR A 63 -18.582 -0.157 5.090 1.00 0.00 C ATOM 1014 O TYR A 63 -19.483 0.656 4.910 1.00 0.00 O ATOM 1015 CB TYR A 63 -16.157 0.383 5.416 1.00 0.00 C ATOM 1016 CG TYR A 63 -16.195 1.543 4.446 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -16.352 2.861 4.904 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -16.055 1.317 3.065 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -16.317 3.937 4.010 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -16.036 2.389 2.164 1.00 0.00 C ATOM 1021 CZ TYR A 63 -16.154 3.703 2.637 1.00 0.00 C ATOM 1022 OH TYR A 63 -16.117 4.792 1.738 1.00 0.00 O ATOM 0 H TYR A 63 -16.580 -1.531 6.964 1.00 0.00 H new ATOM 0 HA TYR A 63 -17.770 1.014 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -15.395 0.576 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -15.855 -0.518 4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.501 3.046 5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -15.961 0.307 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -16.416 4.948 4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -15.930 2.203 1.105 1.00 0.00 H new ATOM 0 HH TYR A 63 -15.997 4.458 0.824 1.00 0.00 H new ATOM 1032 N ASP A 64 -18.485 -1.320 4.401 1.00 0.00 N ATOM 1033 CA ASP A 64 -19.276 -1.700 3.245 1.00 0.00 C ATOM 1034 C ASP A 64 -20.758 -1.672 3.540 1.00 0.00 C ATOM 1035 O ASP A 64 -21.547 -1.148 2.757 1.00 0.00 O ATOM 1036 CB ASP A 64 -18.861 -3.115 2.744 1.00 0.00 C ATOM 1037 CG ASP A 64 -19.373 -3.429 1.332 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -20.602 -3.652 1.168 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -18.526 -3.465 0.400 1.00 0.00 O ATOM 0 H ASP A 64 -17.814 -2.042 4.664 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.079 -0.967 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -17.774 -3.193 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -19.242 -3.865 3.437 1.00 0.00 H new ATOM 1044 N ARG A 65 -21.156 -2.225 4.707 1.00 0.00 N ATOM 1045 CA ARG A 65 -22.537 -2.316 5.109 1.00 0.00 C ATOM 1046 C ARG A 65 -23.050 -0.970 5.560 1.00 0.00 C ATOM 1047 O ARG A 65 -24.158 -0.575 5.199 1.00 0.00 O ATOM 1048 CB ARG A 65 -22.718 -3.358 6.238 1.00 0.00 C ATOM 1049 CG ARG A 65 -24.183 -3.618 6.634 1.00 0.00 C ATOM 1050 CD ARG A 65 -24.357 -4.806 7.598 1.00 0.00 C ATOM 1051 NE ARG A 65 -25.070 -5.942 6.910 1.00 0.00 N ATOM 1052 CZ ARG A 65 -24.446 -6.944 6.214 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -23.088 -6.984 6.089 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -25.204 -7.923 5.637 1.00 0.00 N ATOM 0 H ARG A 65 -20.506 -2.618 5.387 1.00 0.00 H new ATOM 0 HA ARG A 65 -23.115 -2.641 4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -22.267 -4.299 5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -22.171 -3.021 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -24.590 -2.720 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -24.767 -3.803 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -23.382 -5.141 7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -24.923 -4.491 8.475 1.00 0.00 H new ATOM 0 HE ARG A 65 -26.088 -5.967 6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -22.515 -6.258 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -22.646 -7.740 5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -26.220 -7.901 5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -24.754 -8.676 5.116 1.00 0.00 H new ATOM 1068 N ALA A 66 -22.242 -0.229 6.357 1.00 0.00 N ATOM 1069 CA ALA A 66 -22.673 0.982 7.019 1.00 0.00 C ATOM 1070 C ALA A 66 -22.855 2.147 6.085 1.00 0.00 C ATOM 1071 O ALA A 66 -23.670 3.017 6.375 1.00 0.00 O ATOM 1072 CB ALA A 66 -21.700 1.443 8.118 1.00 0.00 C ATOM 0 H ALA A 66 -21.270 -0.474 6.546 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.633 0.701 7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -22.077 2.356 8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -21.612 0.664 8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -20.721 1.635 7.680 1.00 0.00 H new ATOM 1078 N VAL A 67 -22.123 2.205 4.943 1.00 0.00 N ATOM 1079 CA VAL A 67 -22.225 3.318 4.014 1.00 0.00 C ATOM 1080 C VAL A 67 -23.534 3.295 3.265 1.00 0.00 C ATOM 1081 O VAL A 67 -24.008 4.337 2.819 1.00 0.00 O ATOM 1082 CB VAL A 67 -21.082 3.443 3.012 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -19.811 3.863 3.776 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -20.887 2.151 2.189 1.00 0.00 C ATOM 0 H VAL A 67 -21.460 1.484 4.659 1.00 0.00 H new ATOM 0 HA VAL A 67 -22.165 4.195 4.659 1.00 0.00 H new ATOM 0 HB VAL A 67 -21.321 4.210 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -18.981 3.958 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -19.982 4.820 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -19.570 3.108 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -20.063 2.287 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.660 1.323 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.800 1.931 1.636 1.00 0.00 H new ATOM 1094 N LYS A 68 -24.172 2.110 3.143 1.00 0.00 N ATOM 1095 CA LYS A 68 -25.436 1.956 2.463 1.00 0.00 C ATOM 1096 C LYS A 68 -26.549 2.487 3.326 1.00 0.00 C ATOM 1097 O LYS A 68 -27.533 3.020 2.819 1.00 0.00 O ATOM 1098 CB LYS A 68 -25.727 0.481 2.112 1.00 0.00 C ATOM 1099 CG LYS A 68 -24.658 -0.110 1.177 1.00 0.00 C ATOM 1100 CD LYS A 68 -24.933 -1.563 0.764 1.00 0.00 C ATOM 1101 CE LYS A 68 -23.846 -2.114 -0.171 1.00 0.00 C ATOM 1102 NZ LYS A 68 -24.139 -3.506 -0.583 1.00 0.00 N ATOM 0 H LYS A 68 -23.804 1.238 3.524 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.376 2.521 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -25.773 -0.108 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -26.705 0.407 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -24.591 0.507 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -23.688 -0.060 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -24.994 -2.187 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -25.901 -1.621 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -23.769 -1.480 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.880 -2.078 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.386 -3.847 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -24.188 -4.114 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -25.050 -3.535 -1.084 1.00 0.00 H new ATOM 1116 N GLU A 69 -26.390 2.370 4.665 1.00 0.00 N ATOM 1117 CA GLU A 69 -27.336 2.842 5.648 1.00 0.00 C ATOM 1118 C GLU A 69 -27.179 4.331 5.837 1.00 0.00 C ATOM 1119 O GLU A 69 -28.157 5.047 6.039 1.00 0.00 O ATOM 1120 CB GLU A 69 -27.114 2.152 7.014 1.00 0.00 C ATOM 1121 CG GLU A 69 -27.231 0.618 6.934 1.00 0.00 C ATOM 1122 CD GLU A 69 -26.934 0.008 8.303 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -27.702 0.299 9.258 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -25.936 -0.754 8.410 1.00 0.00 O ATOM 0 H GLU A 69 -25.570 1.929 5.081 1.00 0.00 H new ATOM 0 HA GLU A 69 -28.336 2.605 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.127 2.417 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.843 2.531 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.233 0.336 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.534 0.228 6.192 1.00 0.00 H new ATOM 1131 N PHE A 70 -25.919 4.819 5.761 1.00 0.00 N ATOM 1132 CA PHE A 70 -25.512 6.191 5.965 1.00 0.00 C ATOM 1133 C PHE A 70 -26.055 7.058 4.856 1.00 0.00 C ATOM 1134 O PHE A 70 -26.727 8.056 5.112 1.00 0.00 O ATOM 1135 CB PHE A 70 -23.955 6.266 5.997 1.00 0.00 C ATOM 1136 CG PHE A 70 -23.363 7.629 6.259 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -23.752 8.404 7.366 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -22.348 8.116 5.415 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -23.147 9.642 7.616 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -21.738 9.350 5.666 1.00 0.00 C ATOM 1141 CZ PHE A 70 -22.137 10.115 6.768 1.00 0.00 C ATOM 0 H PHE A 70 -25.128 4.214 5.542 1.00 0.00 H new ATOM 0 HA PHE A 70 -25.908 6.553 6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -23.594 5.581 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -23.574 5.904 5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -24.524 8.041 8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -22.036 7.530 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -23.460 10.233 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -20.960 9.712 5.010 1.00 0.00 H new ATOM 0 HZ PHE A 70 -21.667 11.068 6.964 1.00 0.00 H new ATOM 1151 N GLU A 71 -25.779 6.666 3.590 1.00 0.00 N ATOM 1152 CA GLU A 71 -26.112 7.431 2.411 1.00 0.00 C ATOM 1153 C GLU A 71 -27.518 7.140 1.940 1.00 0.00 C ATOM 1154 O GLU A 71 -27.921 7.591 0.870 1.00 0.00 O ATOM 1155 CB GLU A 71 -25.132 7.137 1.251 1.00 0.00 C ATOM 1156 CG GLU A 71 -23.672 7.481 1.609 1.00 0.00 C ATOM 1157 CD GLU A 71 -22.757 7.123 0.440 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -22.677 5.912 0.100 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -22.123 8.054 -0.124 1.00 0.00 O ATOM 0 H GLU A 71 -25.308 5.787 3.378 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.036 8.481 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.198 6.083 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -25.432 7.709 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.585 8.543 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.368 6.935 2.502 1.00 0.00 H new