USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 642 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 73 HIS :FLIP no HE2:sc= -2.16 F(o=-2.6,f=-2) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -117:sc= 0.191 (180deg=-0.145) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-3.2!) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.5!) USER MOD Single : A 19 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1) USER MOD Single : A 20 SER OG : rot -55:sc= 0.526 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -43:sc= -0.892 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.693 F(o=-3.1,f=-0.69) USER MOD Single : A 33 HIS : no HE2:sc= -3.13! X(o=-3.1!,f=-3) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0126 F(o=-1.3,f=-0.013) USER MOD Single : A 47 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.46) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 51 SER OG : rot 43:sc= 1.09 USER MOD Single : A 55 CYS SG : rot 81:sc= 0.34 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.49 F(o=-2.2,f=-1.5) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= -0.0177 (180deg=-0.196) USER MOD Single : A 85 SER OG : rot 180:sc= -0.412 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 89 MET CE :methyl -146:sc= -0.848 (180deg=-3.68!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -69:sc= 0.204 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.191 -10.118 7.203 1.00 0.00 N ATOM 137 CA TYR A 13 -2.554 -10.816 6.093 1.00 0.00 C ATOM 138 C TYR A 13 -3.286 -10.540 4.783 1.00 0.00 C ATOM 139 O TYR A 13 -4.452 -10.903 4.621 1.00 0.00 O ATOM 140 CB TYR A 13 -2.518 -12.321 6.362 1.00 0.00 C ATOM 141 CG TYR A 13 -3.839 -12.882 6.839 1.00 0.00 C ATOM 142 CD1 TYR A 13 -4.185 -12.848 8.185 1.00 0.00 C ATOM 143 CD2 TYR A 13 -4.739 -13.448 5.946 1.00 0.00 C ATOM 144 CE1 TYR A 13 -5.390 -13.360 8.625 1.00 0.00 C ATOM 145 CE2 TYR A 13 -5.947 -13.961 6.377 1.00 0.00 C ATOM 146 CZ TYR A 13 -6.268 -13.915 7.718 1.00 0.00 C ATOM 147 OH TYR A 13 -7.470 -14.426 8.152 1.00 0.00 O ATOM 0 HA TYR A 13 -1.533 -10.445 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.222 -12.838 5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.753 -12.530 7.110 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.500 -12.414 8.899 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.490 -13.488 4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.643 -13.326 9.674 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.636 -14.396 5.668 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.971 -14.778 7.387 1.00 0.00 H new ATOM 157 N LEU A 14 -2.594 -9.895 3.850 1.00 0.00 N ATOM 158 CA LEU A 14 -3.176 -9.570 2.553 1.00 0.00 C ATOM 159 C LEU A 14 -2.384 -10.219 1.423 1.00 0.00 C ATOM 160 O LEU A 14 -1.249 -10.652 1.615 1.00 0.00 O ATOM 161 CB LEU A 14 -3.217 -8.054 2.356 1.00 0.00 C ATOM 162 CG LEU A 14 -4.487 -7.349 2.836 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.432 -5.866 2.505 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.720 -7.990 2.216 1.00 0.00 C ATOM 0 H LEU A 14 -1.629 -9.587 3.968 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.193 -9.961 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.364 -7.617 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.087 -7.842 1.295 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.552 -7.457 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.344 -5.381 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.570 -5.415 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.343 -5.737 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.614 -7.476 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.662 -7.914 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.768 -9.040 2.504 1.00 0.00 H new ATOM 176 N ASN A 15 -2.992 -10.282 0.242 1.00 0.00 N ATOM 177 CA ASN A 15 -2.342 -10.877 -0.921 1.00 0.00 C ATOM 178 C ASN A 15 -1.735 -9.800 -1.815 1.00 0.00 C ATOM 179 O ASN A 15 -2.453 -9.051 -2.478 1.00 0.00 O ATOM 180 CB ASN A 15 -3.345 -11.713 -1.719 1.00 0.00 C ATOM 181 CG ASN A 15 -3.394 -13.156 -1.254 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.546 -13.599 -0.480 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.390 -13.896 -1.728 1.00 0.00 N ATOM 0 H ASN A 15 -3.932 -9.929 0.065 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.540 -11.524 -0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.337 -11.271 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.079 -11.683 -2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.475 -14.874 -1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.070 -13.486 -2.368 1.00 0.00 H new ATOM 190 N VAL A 16 -0.408 -9.730 -1.829 1.00 0.00 N ATOM 191 CA VAL A 16 0.297 -8.747 -2.644 1.00 0.00 C ATOM 192 C VAL A 16 0.752 -9.353 -3.966 1.00 0.00 C ATOM 193 O VAL A 16 1.613 -10.234 -3.995 1.00 0.00 O ATOM 194 CB VAL A 16 1.522 -8.179 -1.903 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.122 -7.015 -2.676 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.142 -7.754 -0.493 1.00 0.00 C ATOM 0 H VAL A 16 0.201 -10.342 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.406 -7.938 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 16 2.276 -8.963 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.986 -6.627 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.433 -7.356 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.377 -6.226 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.020 -7.355 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.370 -6.986 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.764 -8.616 0.057 1.00 0.00 H new ATOM 206 N LEU A 17 0.169 -8.876 -5.061 1.00 0.00 N ATOM 207 CA LEU A 17 0.515 -9.371 -6.389 1.00 0.00 C ATOM 208 C LEU A 17 2.021 -9.299 -6.622 1.00 0.00 C ATOM 209 O LEU A 17 2.627 -8.234 -6.505 1.00 0.00 O ATOM 210 CB LEU A 17 -0.218 -8.563 -7.462 1.00 0.00 C ATOM 211 CG LEU A 17 -0.150 -9.121 -8.884 1.00 0.00 C ATOM 212 CD1 LEU A 17 -0.977 -10.392 -8.999 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.625 -8.080 -9.888 1.00 0.00 C ATOM 0 H LEU A 17 -0.545 -8.148 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 17 0.206 -10.414 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.266 -8.482 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.190 -7.552 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 17 0.888 -9.367 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.917 -10.774 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.592 -11.141 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.016 -10.173 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.570 -8.494 -10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.655 -7.803 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.010 -7.196 -9.824 1.00 0.00 H new ATOM 225 N VAL A 18 2.618 -10.439 -6.953 1.00 0.00 N ATOM 226 CA VAL A 18 4.052 -10.506 -7.206 1.00 0.00 C ATOM 227 C VAL A 18 4.344 -11.176 -8.544 1.00 0.00 C ATOM 228 O VAL A 18 3.998 -12.337 -8.756 1.00 0.00 O ATOM 229 CB VAL A 18 4.784 -11.273 -6.089 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.254 -11.452 -6.438 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.628 -10.554 -4.758 1.00 0.00 C ATOM 0 H VAL A 18 2.130 -11.329 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 18 4.417 -9.479 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 18 4.334 -12.262 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.755 -11.996 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.341 -12.014 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.721 -10.475 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.152 -11.110 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.050 -9.552 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.570 -10.484 -4.504 1.00 0.00 H new ATOM 241 N ASN A 19 4.983 -10.435 -9.443 1.00 0.00 N ATOM 242 CA ASN A 19 5.322 -10.958 -10.762 1.00 0.00 C ATOM 243 C ASN A 19 4.125 -11.663 -11.392 1.00 0.00 C ATOM 244 O ASN A 19 4.244 -12.778 -11.900 1.00 0.00 O ATOM 245 CB ASN A 19 6.503 -11.926 -10.662 1.00 0.00 C ATOM 246 CG ASN A 19 7.839 -11.226 -10.818 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.927 -10.002 -10.715 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.888 -12.002 -11.068 1.00 0.00 N ATOM 0 H ASN A 19 5.276 -9.471 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 19 5.602 -10.118 -11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.472 -12.434 -9.698 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.406 -12.694 -11.430 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.813 -11.588 -11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.768 -13.012 -11.145 1.00 0.00 H new ATOM 255 N SER A 20 2.971 -11.004 -11.355 1.00 0.00 N ATOM 256 CA SER A 20 1.750 -11.569 -11.919 1.00 0.00 C ATOM 257 C SER A 20 1.369 -12.862 -11.205 1.00 0.00 C ATOM 258 O SER A 20 0.896 -13.811 -11.830 1.00 0.00 O ATOM 259 CB SER A 20 1.930 -11.833 -13.416 1.00 0.00 C ATOM 260 OG SER A 20 0.702 -12.203 -14.019 1.00 0.00 O ATOM 0 H SER A 20 2.856 -10.079 -10.941 1.00 0.00 H new ATOM 0 HA SER A 20 0.946 -10.847 -11.778 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.323 -10.940 -13.902 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.664 -12.625 -13.563 1.00 0.00 H new ATOM 0 HG SER A 20 0.320 -12.968 -13.540 1.00 0.00 H new ATOM 266 N GLN A 21 1.579 -12.890 -9.893 1.00 0.00 N ATOM 267 CA GLN A 21 1.258 -14.067 -9.094 1.00 0.00 C ATOM 268 C GLN A 21 0.851 -13.669 -7.679 1.00 0.00 C ATOM 269 O GLN A 21 1.602 -12.995 -6.973 1.00 0.00 O ATOM 270 CB GLN A 21 2.455 -15.018 -9.044 1.00 0.00 C ATOM 271 CG GLN A 21 2.576 -15.909 -10.270 1.00 0.00 C ATOM 272 CD GLN A 21 3.962 -16.502 -10.427 1.00 0.00 C ATOM 273 OE1 GLN A 21 4.917 -15.798 -10.755 1.00 0.00 O ATOM 274 NE2 GLN A 21 4.079 -17.804 -10.192 1.00 0.00 N ATOM 0 H GLN A 21 1.970 -12.112 -9.361 1.00 0.00 H new ATOM 0 HA GLN A 21 0.418 -14.577 -9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.369 -14.433 -8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.373 -15.645 -8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.846 -16.715 -10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.330 -15.331 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.260 -18.349 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.988 -18.259 -10.281 1.00 0.00 H new ATOM 283 N TRP A 22 -0.341 -14.090 -7.271 1.00 0.00 N ATOM 284 CA TRP A 22 -0.847 -13.777 -5.940 1.00 0.00 C ATOM 285 C TRP A 22 -0.162 -14.634 -4.881 1.00 0.00 C ATOM 286 O TRP A 22 -0.263 -15.861 -4.901 1.00 0.00 O ATOM 287 CB TRP A 22 -2.361 -13.989 -5.885 1.00 0.00 C ATOM 288 CG TRP A 22 -3.124 -13.061 -6.781 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.670 -13.360 -7.997 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.424 -11.683 -6.532 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.291 -12.251 -8.518 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.155 -11.209 -7.639 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.148 -10.805 -5.481 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.611 -9.896 -7.723 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.600 -9.502 -5.566 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.326 -9.058 -6.679 1.00 0.00 C ATOM 0 H TRP A 22 -0.975 -14.649 -7.843 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.626 -12.730 -5.731 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.587 -15.018 -6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.702 -13.854 -4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.621 -14.326 -8.478 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.775 -12.210 -9.415 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.591 -11.139 -4.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.169 -9.551 -8.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.390 -8.814 -4.761 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.668 -8.034 -6.714 1.00 0.00 H new ATOM 307 N LYS A 23 0.534 -13.981 -3.957 1.00 0.00 N ATOM 308 CA LYS A 23 1.235 -14.682 -2.889 1.00 0.00 C ATOM 309 C LYS A 23 1.008 -13.996 -1.546 1.00 0.00 C ATOM 310 O LYS A 23 1.279 -12.805 -1.393 1.00 0.00 O ATOM 311 CB LYS A 23 2.734 -14.749 -3.192 1.00 0.00 C ATOM 312 CG LYS A 23 3.055 -15.379 -4.536 1.00 0.00 C ATOM 313 CD LYS A 23 4.477 -15.913 -4.576 1.00 0.00 C ATOM 314 CE LYS A 23 5.084 -15.778 -5.964 1.00 0.00 C ATOM 315 NZ LYS A 23 4.822 -16.980 -6.804 1.00 0.00 N ATOM 0 H LYS A 23 0.628 -12.966 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 23 0.836 -15.695 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.147 -13.741 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.230 -15.318 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.355 -16.190 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.920 -14.641 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.090 -15.372 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.482 -16.961 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.674 -14.895 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.159 -15.624 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.252 -16.849 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.235 -17.819 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.796 -17.113 -6.909 1.00 0.00 H new ATOM 329 N SER A 24 0.509 -14.755 -0.575 1.00 0.00 N ATOM 330 CA SER A 24 0.243 -14.218 0.754 1.00 0.00 C ATOM 331 C SER A 24 1.423 -13.389 1.252 1.00 0.00 C ATOM 332 O SER A 24 2.571 -13.830 1.201 1.00 0.00 O ATOM 333 CB SER A 24 -0.046 -15.354 1.737 1.00 0.00 C ATOM 334 OG SER A 24 1.005 -16.304 1.743 1.00 0.00 O ATOM 0 H SER A 24 0.281 -15.743 -0.684 1.00 0.00 H new ATOM 0 HA SER A 24 -0.632 -13.571 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.178 -14.947 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.981 -15.844 1.466 1.00 0.00 H new ATOM 0 HG SER A 24 0.797 -17.018 2.381 1.00 0.00 H new ATOM 340 N ARG A 25 1.131 -12.184 1.731 1.00 0.00 N ATOM 341 CA ARG A 25 2.167 -11.292 2.237 1.00 0.00 C ATOM 342 C ARG A 25 1.664 -10.503 3.443 1.00 0.00 C ATOM 343 O ARG A 25 0.471 -10.224 3.561 1.00 0.00 O ATOM 344 CB ARG A 25 2.621 -10.329 1.138 1.00 0.00 C ATOM 345 CG ARG A 25 3.743 -9.398 1.569 1.00 0.00 C ATOM 346 CD ARG A 25 5.104 -10.061 1.421 1.00 0.00 C ATOM 347 NE ARG A 25 5.383 -10.433 0.036 1.00 0.00 N ATOM 348 CZ ARG A 25 6.235 -11.392 -0.309 1.00 0.00 C ATOM 349 NH1 ARG A 25 6.887 -12.072 0.623 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.436 -11.672 -1.591 1.00 0.00 N ATOM 0 H ARG A 25 0.186 -11.803 1.779 1.00 0.00 H new ATOM 0 HA ARG A 25 3.015 -11.901 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.951 -10.906 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.768 -9.732 0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.713 -8.488 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.593 -9.101 2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.879 -9.382 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.145 -10.950 2.051 1.00 0.00 H new ATOM 0 HE ARG A 25 4.897 -9.929 -0.706 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.735 -11.860 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.540 -12.808 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.936 -11.151 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.090 -12.408 -1.856 1.00 0.00 H new ATOM 364 N TRP A 26 2.582 -10.149 4.335 1.00 0.00 N ATOM 365 CA TRP A 26 2.232 -9.393 5.533 1.00 0.00 C ATOM 366 C TRP A 26 2.228 -7.895 5.250 1.00 0.00 C ATOM 367 O TRP A 26 3.272 -7.305 4.969 1.00 0.00 O ATOM 368 CB TRP A 26 3.211 -9.709 6.664 1.00 0.00 C ATOM 369 CG TRP A 26 2.638 -9.471 8.029 1.00 0.00 C ATOM 370 CD1 TRP A 26 2.414 -8.263 8.624 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.219 -10.467 8.968 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.881 -8.447 9.877 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.750 -9.791 10.111 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.191 -11.864 8.953 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.263 -10.465 11.227 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.707 -12.532 10.062 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.247 -11.833 11.186 1.00 0.00 C ATOM 0 H TRP A 26 3.574 -10.373 4.252 1.00 0.00 H new ATOM 0 HA TRP A 26 1.228 -9.688 5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.522 -10.751 6.585 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.106 -9.099 6.542 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.625 -7.303 8.176 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.625 -7.704 10.527 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.541 -12.412 8.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.910 -9.928 12.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.683 -13.612 10.062 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.873 -12.384 12.036 1.00 0.00 H new ATOM 388 N CYS A 27 1.050 -7.286 5.325 1.00 0.00 N ATOM 389 CA CYS A 27 0.912 -5.855 5.076 1.00 0.00 C ATOM 390 C CYS A 27 0.643 -5.101 6.374 1.00 0.00 C ATOM 391 O CYS A 27 -0.246 -5.467 7.144 1.00 0.00 O ATOM 392 CB CYS A 27 -0.217 -5.597 4.078 1.00 0.00 C ATOM 393 SG CYS A 27 0.305 -5.631 2.347 1.00 0.00 S ATOM 0 H CYS A 27 0.177 -7.760 5.556 1.00 0.00 H new ATOM 0 HA CYS A 27 1.849 -5.492 4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.996 -6.345 4.226 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.662 -4.626 4.293 1.00 0.00 H new ATOM 0 HG CYS A 27 1.435 -5.000 2.222 1.00 0.00 H new ATOM 399 N SER A 28 1.416 -4.047 6.612 1.00 0.00 N ATOM 400 CA SER A 28 1.265 -3.244 7.820 1.00 0.00 C ATOM 401 C SER A 28 1.327 -1.755 7.493 1.00 0.00 C ATOM 402 O SER A 28 2.365 -1.242 7.073 1.00 0.00 O ATOM 403 CB SER A 28 2.352 -3.601 8.835 1.00 0.00 C ATOM 404 OG SER A 28 1.991 -3.180 10.139 1.00 0.00 O ATOM 0 H SER A 28 2.154 -3.729 5.984 1.00 0.00 H new ATOM 0 HA SER A 28 0.289 -3.463 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.518 -4.678 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.292 -3.132 8.545 1.00 0.00 H new ATOM 0 HG SER A 28 2.702 -3.422 10.769 1.00 0.00 H new ATOM 410 N VAL A 29 0.208 -1.065 7.690 1.00 0.00 N ATOM 411 CA VAL A 29 0.134 0.366 7.419 1.00 0.00 C ATOM 412 C VAL A 29 0.369 1.179 8.687 1.00 0.00 C ATOM 413 O VAL A 29 -0.212 0.895 9.735 1.00 0.00 O ATOM 414 CB VAL A 29 -1.230 0.753 6.819 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.315 2.258 6.612 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.467 0.013 5.511 1.00 0.00 C ATOM 0 H VAL A 29 -0.660 -1.474 8.036 1.00 0.00 H new ATOM 0 HA VAL A 29 0.918 0.592 6.696 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.011 0.462 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.286 2.513 6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.194 2.764 7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.526 2.577 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.436 0.299 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.682 0.271 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.453 -1.062 5.693 1.00 0.00 H new ATOM 426 N ARG A 30 1.224 2.191 8.585 1.00 0.00 N ATOM 427 CA ARG A 30 1.537 3.045 9.724 1.00 0.00 C ATOM 428 C ARG A 30 2.166 4.357 9.263 1.00 0.00 C ATOM 429 O ARG A 30 2.988 4.374 8.347 1.00 0.00 O ATOM 430 CB ARG A 30 2.482 2.323 10.686 1.00 0.00 C ATOM 431 CG ARG A 30 2.851 3.146 11.910 1.00 0.00 C ATOM 432 CD ARG A 30 3.561 2.301 12.956 1.00 0.00 C ATOM 433 NE ARG A 30 2.620 1.553 13.786 1.00 0.00 N ATOM 434 CZ ARG A 30 2.990 0.625 14.661 1.00 0.00 C ATOM 435 NH1 ARG A 30 4.273 0.333 14.821 1.00 0.00 N ATOM 436 NH2 ARG A 30 2.075 -0.012 15.380 1.00 0.00 N ATOM 0 H ARG A 30 1.713 2.440 7.725 1.00 0.00 H new ATOM 0 HA ARG A 30 0.606 3.272 10.243 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.015 1.393 11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.393 2.053 10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.494 3.974 11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.950 3.581 12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.240 1.606 12.461 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.171 2.945 13.590 1.00 0.00 H new ATOM 0 HE ARG A 30 1.625 1.754 13.688 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.980 0.822 14.271 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.554 -0.380 15.494 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.087 0.211 15.261 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.360 -0.725 16.052 1.00 0.00 H new ATOM 450 N ASP A 31 1.775 5.452 9.905 1.00 0.00 N ATOM 451 CA ASP A 31 2.301 6.768 9.562 1.00 0.00 C ATOM 452 C ASP A 31 2.081 7.073 8.083 1.00 0.00 C ATOM 453 O ASP A 31 2.963 7.608 7.412 1.00 0.00 O ATOM 454 CB ASP A 31 3.791 6.848 9.896 1.00 0.00 C ATOM 455 CG ASP A 31 4.314 8.271 9.874 1.00 0.00 C ATOM 456 OD1 ASP A 31 3.756 9.119 10.600 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.281 8.536 9.129 1.00 0.00 O ATOM 0 H ASP A 31 1.096 5.455 10.666 1.00 0.00 H new ATOM 0 HA ASP A 31 1.764 7.511 10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.963 6.416 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.353 6.246 9.182 1.00 0.00 H new ATOM 462 N ASN A 32 0.900 6.727 7.582 1.00 0.00 N ATOM 463 CA ASN A 32 0.565 6.962 6.182 1.00 0.00 C ATOM 464 C ASN A 32 1.551 6.251 5.260 1.00 0.00 C ATOM 465 O ASN A 32 1.999 6.812 4.260 1.00 0.00 O ATOM 466 CB ASN A 32 0.561 8.462 5.882 1.00 0.00 C ATOM 467 CG ASN A 32 -0.376 9.232 6.794 1.00 0.00 C ATOM 468 OD1 ASN A 32 -1.648 8.849 6.794 1.00 0.00 O flip ATOM 469 ND2 ASN A 32 0.039 10.159 7.489 1.00 0.00 N flip ATOM 0 H ASN A 32 0.159 6.283 8.124 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.431 6.559 6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.572 8.854 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.266 8.622 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.025 10.419 7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.603 10.667 8.097 1.00 0.00 H new ATOM 476 N HIS A 33 1.884 5.010 5.604 1.00 0.00 N ATOM 477 CA HIS A 33 2.816 4.221 4.806 1.00 0.00 C ATOM 478 C HIS A 33 2.503 2.732 4.921 1.00 0.00 C ATOM 479 O HIS A 33 2.260 2.220 6.015 1.00 0.00 O ATOM 480 CB HIS A 33 4.254 4.487 5.252 1.00 0.00 C ATOM 481 CG HIS A 33 4.885 5.661 4.569 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.839 6.942 5.078 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.581 5.743 3.411 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.478 7.761 4.262 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.938 7.058 3.243 1.00 0.00 N ATOM 0 H HIS A 33 1.523 4.530 6.429 1.00 0.00 H new ATOM 0 HA HIS A 33 2.706 4.519 3.763 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.267 4.654 6.329 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.856 3.599 5.060 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.383 7.214 5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.812 4.926 2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.603 8.824 4.404 1.00 0.00 H new ATOM 494 N LEU A 34 2.509 2.042 3.786 1.00 0.00 N ATOM 495 CA LEU A 34 2.225 0.611 3.758 1.00 0.00 C ATOM 496 C LEU A 34 3.515 -0.199 3.686 1.00 0.00 C ATOM 497 O LEU A 34 4.199 -0.207 2.662 1.00 0.00 O ATOM 498 CB LEU A 34 1.329 0.272 2.565 1.00 0.00 C ATOM 499 CG LEU A 34 1.311 -1.195 2.135 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.984 -2.094 3.317 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.311 -1.408 1.008 1.00 0.00 C ATOM 0 H LEU A 34 2.707 2.450 2.873 1.00 0.00 H new ATOM 0 HA LEU A 34 1.706 0.351 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.309 0.572 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.647 0.875 1.715 1.00 0.00 H new ATOM 0 HG LEU A 34 2.303 -1.458 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.976 -3.134 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.738 -1.963 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.004 -1.830 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.312 -2.458 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.686 -1.127 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.590 -0.792 0.153 1.00 0.00 H new ATOM 513 N HIS A 35 3.841 -0.881 4.779 1.00 0.00 N ATOM 514 CA HIS A 35 5.048 -1.698 4.839 1.00 0.00 C ATOM 515 C HIS A 35 4.765 -3.122 4.371 1.00 0.00 C ATOM 516 O HIS A 35 3.612 -3.496 4.151 1.00 0.00 O ATOM 517 CB HIS A 35 5.606 -1.718 6.263 1.00 0.00 C ATOM 518 CG HIS A 35 6.084 -0.380 6.737 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.420 -0.062 6.869 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.397 0.725 7.110 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.533 1.180 7.304 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.320 1.680 7.458 1.00 0.00 N ATOM 0 H HIS A 35 3.287 -0.884 5.635 1.00 0.00 H new ATOM 0 HA HIS A 35 5.789 -1.256 4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.834 -2.081 6.942 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.432 -2.428 6.311 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.323 0.835 7.130 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.460 1.699 7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.104 2.623 7.783 1.00 0.00 H new ATOM 531 N PHE A 36 5.823 -3.912 4.221 1.00 0.00 N ATOM 532 CA PHE A 36 5.687 -5.295 3.777 1.00 0.00 C ATOM 533 C PHE A 36 6.666 -6.201 4.518 1.00 0.00 C ATOM 534 O PHE A 36 7.811 -5.825 4.768 1.00 0.00 O ATOM 535 CB PHE A 36 5.925 -5.394 2.269 1.00 0.00 C ATOM 536 CG PHE A 36 4.890 -4.676 1.451 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.908 -3.294 1.346 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.900 -5.382 0.787 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.958 -2.630 0.593 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.947 -4.723 0.033 1.00 0.00 C ATOM 541 CZ PHE A 36 2.976 -3.345 -0.063 1.00 0.00 C ATOM 0 H PHE A 36 6.783 -3.619 4.400 1.00 0.00 H new ATOM 0 HA PHE A 36 4.672 -5.625 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.908 -4.985 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.941 -6.445 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.673 -2.730 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.872 -6.459 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.984 -1.553 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.181 -5.285 -0.480 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.232 -2.828 -0.650 1.00 0.00 H new ATOM 551 N TYR A 37 6.205 -7.397 4.868 1.00 0.00 N ATOM 552 CA TYR A 37 7.037 -8.358 5.583 1.00 0.00 C ATOM 553 C TYR A 37 6.727 -9.784 5.140 1.00 0.00 C ATOM 554 O TYR A 37 5.710 -10.037 4.494 1.00 0.00 O ATOM 555 CB TYR A 37 6.827 -8.223 7.092 1.00 0.00 C ATOM 556 CG TYR A 37 6.907 -6.797 7.589 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.876 -5.897 7.350 1.00 0.00 C ATOM 558 CD2 TYR A 37 8.015 -6.351 8.300 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.946 -4.594 7.802 1.00 0.00 C ATOM 560 CE2 TYR A 37 8.093 -5.049 8.757 1.00 0.00 C ATOM 561 CZ TYR A 37 7.056 -4.175 8.505 1.00 0.00 C ATOM 562 OH TYR A 37 7.129 -2.878 8.959 1.00 0.00 O ATOM 0 H TYR A 37 5.260 -7.724 4.668 1.00 0.00 H new ATOM 0 HA TYR A 37 8.079 -8.143 5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.853 -8.636 7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.576 -8.822 7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.005 -6.222 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.828 -7.033 8.499 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.136 -3.907 7.606 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.961 -4.718 9.308 1.00 0.00 H new ATOM 0 HH TYR A 37 7.975 -2.745 9.436 1.00 0.00 H new ATOM 572 N GLN A 38 7.610 -10.712 5.493 1.00 0.00 N ATOM 573 CA GLN A 38 7.431 -12.114 5.133 1.00 0.00 C ATOM 574 C GLN A 38 7.051 -12.945 6.354 1.00 0.00 C ATOM 575 O GLN A 38 7.582 -14.036 6.563 1.00 0.00 O ATOM 576 CB GLN A 38 8.709 -12.667 4.501 1.00 0.00 C ATOM 577 CG GLN A 38 9.163 -11.896 3.272 1.00 0.00 C ATOM 578 CD GLN A 38 10.065 -12.715 2.370 1.00 0.00 C ATOM 579 OE1 GLN A 38 9.837 -12.624 1.065 1.00 0.00 O flip ATOM 580 NE2 GLN A 38 10.957 -13.422 2.840 1.00 0.00 N flip ATOM 0 H GLN A 38 8.457 -10.519 6.028 1.00 0.00 H new ATOM 0 HA GLN A 38 6.620 -12.177 4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.507 -12.653 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.547 -13.709 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.289 -11.572 2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.691 -10.996 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.097 -13.462 3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.556 -13.967 2.220 1.00 0.00 H new ATOM 712 N ALA A 46 9.932 -7.969 3.247 1.00 0.00 N ATOM 713 CA ALA A 46 9.925 -8.323 1.833 1.00 0.00 C ATOM 714 C ALA A 46 10.550 -7.218 0.987 1.00 0.00 C ATOM 715 O ALA A 46 11.333 -7.489 0.077 1.00 0.00 O ATOM 716 CB ALA A 46 8.504 -8.606 1.367 1.00 0.00 C ATOM 0 HA ALA A 46 10.524 -9.225 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.514 -8.869 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.090 -9.434 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.889 -7.718 1.515 1.00 0.00 H new ATOM 722 N GLN A 47 10.198 -5.974 1.294 1.00 0.00 N ATOM 723 CA GLN A 47 10.725 -4.829 0.560 1.00 0.00 C ATOM 724 C GLN A 47 10.436 -3.528 1.301 1.00 0.00 C ATOM 725 O GLN A 47 9.702 -3.516 2.289 1.00 0.00 O ATOM 726 CB GLN A 47 10.120 -4.775 -0.844 1.00 0.00 C ATOM 727 CG GLN A 47 8.605 -4.655 -0.850 1.00 0.00 C ATOM 728 CD GLN A 47 8.068 -4.099 -2.154 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.602 -3.131 -2.696 1.00 0.00 O ATOM 730 NE2 GLN A 47 7.007 -4.711 -2.667 1.00 0.00 N ATOM 0 H GLN A 47 9.551 -5.733 2.045 1.00 0.00 H new ATOM 0 HA GLN A 47 11.806 -4.947 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.545 -3.927 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.407 -5.674 -1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.166 -5.636 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.292 -4.010 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.596 -5.510 -2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.603 -4.382 -3.544 1.00 0.00 H new ATOM 739 N GLN A 48 11.018 -2.435 0.818 1.00 0.00 N ATOM 740 CA GLN A 48 10.824 -1.129 1.436 1.00 0.00 C ATOM 741 C GLN A 48 9.339 -0.811 1.581 1.00 0.00 C ATOM 742 O GLN A 48 8.484 -1.412 0.931 1.00 0.00 O ATOM 743 CB GLN A 48 11.512 -0.042 0.609 1.00 0.00 C ATOM 744 CG GLN A 48 12.949 0.223 1.028 1.00 0.00 C ATOM 745 CD GLN A 48 13.936 -0.705 0.348 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.981 -0.791 -0.879 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.734 -1.407 1.145 1.00 0.00 N ATOM 0 H GLN A 48 11.628 -2.428 0.000 1.00 0.00 H new ATOM 0 HA GLN A 48 11.270 -1.156 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.496 -0.332 -0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.941 0.883 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.207 1.256 0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.035 0.110 2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.662 -1.304 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.418 -2.049 0.745 1.00 0.00 H new ATOM 756 N PRO A 49 9.023 0.156 2.455 1.00 0.00 N ATOM 757 CA PRO A 49 7.641 0.576 2.706 1.00 0.00 C ATOM 758 C PRO A 49 7.036 1.316 1.518 1.00 0.00 C ATOM 759 O PRO A 49 7.738 1.667 0.569 1.00 0.00 O ATOM 760 CB PRO A 49 7.768 1.512 3.911 1.00 0.00 C ATOM 761 CG PRO A 49 9.163 2.030 3.843 1.00 0.00 C ATOM 762 CD PRO A 49 9.991 0.915 3.265 1.00 0.00 C ATOM 0 HA PRO A 49 6.981 -0.274 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.042 2.323 3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.588 0.981 4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.218 2.921 3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.524 2.311 4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.811 1.297 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.434 0.297 4.046 1.00 0.00 H new ATOM 770 N LEU A 50 5.729 1.549 1.576 1.00 0.00 N ATOM 771 CA LEU A 50 5.029 2.248 0.505 1.00 0.00 C ATOM 772 C LEU A 50 4.531 3.610 0.978 1.00 0.00 C ATOM 773 O LEU A 50 4.050 3.751 2.102 1.00 0.00 O ATOM 774 CB LEU A 50 3.852 1.408 0.005 1.00 0.00 C ATOM 775 CG LEU A 50 4.156 0.443 -1.142 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.894 -0.288 -1.573 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.771 1.188 -2.317 1.00 0.00 C ATOM 0 H LEU A 50 5.133 1.264 2.353 1.00 0.00 H new ATOM 0 HA LEU A 50 5.731 2.403 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.460 0.832 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.059 2.084 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 50 4.876 -0.295 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.130 -0.970 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.496 -0.854 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.151 0.436 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.981 0.486 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.075 1.949 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.699 1.664 -2.000 1.00 0.00 H new ATOM 789 N SER A 51 4.647 4.611 0.111 1.00 0.00 N ATOM 790 CA SER A 51 4.210 5.963 0.440 1.00 0.00 C ATOM 791 C SER A 51 2.790 6.211 -0.058 1.00 0.00 C ATOM 792 O SER A 51 2.585 6.829 -1.104 1.00 0.00 O ATOM 793 CB SER A 51 5.164 6.993 -0.170 1.00 0.00 C ATOM 794 OG SER A 51 5.122 6.951 -1.585 1.00 0.00 O ATOM 0 H SER A 51 5.040 4.511 -0.825 1.00 0.00 H new ATOM 0 HA SER A 51 4.219 6.067 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.896 7.991 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.180 6.800 0.173 1.00 0.00 H new ATOM 0 HG SER A 51 4.191 6.875 -1.883 1.00 0.00 H new ATOM 800 N LEU A 52 1.812 5.726 0.699 1.00 0.00 N ATOM 801 CA LEU A 52 0.409 5.894 0.336 1.00 0.00 C ATOM 802 C LEU A 52 0.072 7.368 0.131 1.00 0.00 C ATOM 803 O LEU A 52 -0.696 7.721 -0.763 1.00 0.00 O ATOM 804 CB LEU A 52 -0.493 5.299 1.418 1.00 0.00 C ATOM 805 CG LEU A 52 -0.211 3.846 1.803 1.00 0.00 C ATOM 806 CD1 LEU A 52 -0.827 3.523 3.155 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.739 2.899 0.735 1.00 0.00 C ATOM 0 H LEU A 52 1.964 5.213 1.568 1.00 0.00 H new ATOM 0 HA LEU A 52 0.237 5.367 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.407 5.914 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.527 5.370 1.081 1.00 0.00 H new ATOM 0 HG LEU A 52 0.868 3.713 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.616 2.485 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.402 4.179 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.906 3.673 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.529 1.870 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.815 3.034 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.251 3.114 -0.216 1.00 0.00 H new ATOM 819 N VAL A 53 0.655 8.224 0.965 1.00 0.00 N ATOM 820 CA VAL A 53 0.419 9.660 0.873 1.00 0.00 C ATOM 821 C VAL A 53 0.539 10.146 -0.567 1.00 0.00 C ATOM 822 O VAL A 53 1.641 10.302 -1.091 1.00 0.00 O ATOM 823 CB VAL A 53 1.409 10.448 1.753 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.164 11.943 1.624 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.300 10.004 3.204 1.00 0.00 C ATOM 0 H VAL A 53 1.293 7.948 1.711 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.595 9.838 1.230 1.00 0.00 H new ATOM 0 HB VAL A 53 2.422 10.240 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.872 12.483 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.297 12.245 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.147 12.174 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.006 10.570 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.287 10.182 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.529 8.941 3.277 1.00 0.00 H new ATOM 835 N GLY A 54 -0.605 10.384 -1.202 1.00 0.00 N ATOM 836 CA GLY A 54 -0.607 10.850 -2.576 1.00 0.00 C ATOM 837 C GLY A 54 -1.251 9.858 -3.524 1.00 0.00 C ATOM 838 O GLY A 54 -1.926 10.248 -4.478 1.00 0.00 O ATOM 0 H GLY A 54 -1.530 10.262 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.138 11.800 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.418 11.039 -2.894 1.00 0.00 H new ATOM 842 N CYS A 55 -1.041 8.572 -3.264 1.00 0.00 N ATOM 843 CA CYS A 55 -1.605 7.521 -4.103 1.00 0.00 C ATOM 844 C CYS A 55 -3.124 7.475 -3.972 1.00 0.00 C ATOM 845 O CYS A 55 -3.716 8.266 -3.239 1.00 0.00 O ATOM 846 CB CYS A 55 -1.007 6.164 -3.727 1.00 0.00 C ATOM 847 SG CYS A 55 0.766 6.210 -3.378 1.00 0.00 S ATOM 0 H CYS A 55 -0.485 8.233 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.356 7.746 -5.140 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.529 5.779 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.188 5.461 -4.540 1.00 0.00 H new ATOM 0 HG CYS A 55 0.958 6.628 -2.162 1.00 0.00 H new ATOM 853 N GLU A 56 -3.747 6.546 -4.689 1.00 0.00 N ATOM 854 CA GLU A 56 -5.197 6.400 -4.654 1.00 0.00 C ATOM 855 C GLU A 56 -5.600 4.933 -4.778 1.00 0.00 C ATOM 856 O GLU A 56 -5.218 4.251 -5.729 1.00 0.00 O ATOM 857 CB GLU A 56 -5.841 7.213 -5.779 1.00 0.00 C ATOM 858 CG GLU A 56 -7.339 6.993 -5.908 1.00 0.00 C ATOM 859 CD GLU A 56 -8.145 7.934 -5.033 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.616 8.370 -3.989 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.302 8.234 -5.393 1.00 0.00 O ATOM 0 H GLU A 56 -3.271 5.883 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.551 6.776 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.651 8.272 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.362 6.954 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.634 7.128 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.575 5.963 -5.641 1.00 0.00 H new ATOM 868 N VAL A 57 -6.373 4.454 -3.809 1.00 0.00 N ATOM 869 CA VAL A 57 -6.828 3.069 -3.808 1.00 0.00 C ATOM 870 C VAL A 57 -8.180 2.934 -4.501 1.00 0.00 C ATOM 871 O VAL A 57 -9.172 3.523 -4.071 1.00 0.00 O ATOM 872 CB VAL A 57 -6.941 2.515 -2.375 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.318 1.042 -2.400 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.639 2.728 -1.619 1.00 0.00 C ATOM 0 H VAL A 57 -6.697 5.005 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.083 2.491 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.730 3.058 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.393 0.668 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.278 0.921 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.554 0.480 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.736 2.331 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.830 2.212 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.417 3.794 -1.570 1.00 0.00 H new ATOM 884 N VAL A 58 -8.212 2.154 -5.577 1.00 0.00 N ATOM 885 CA VAL A 58 -9.443 1.940 -6.329 1.00 0.00 C ATOM 886 C VAL A 58 -9.800 0.459 -6.388 1.00 0.00 C ATOM 887 O VAL A 58 -8.943 -0.405 -6.576 1.00 0.00 O ATOM 888 CB VAL A 58 -9.325 2.486 -7.764 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.606 3.980 -7.792 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.949 2.182 -8.338 1.00 0.00 C ATOM 0 H VAL A 58 -7.400 1.660 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.232 2.480 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.070 1.990 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.518 4.348 -8.814 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.615 4.167 -7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.887 4.497 -7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.883 2.575 -9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.185 2.650 -7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.792 1.103 -8.356 1.00 0.00 H new ATOM 900 N PRO A 59 -11.097 0.156 -6.225 1.00 0.00 N ATOM 901 CA PRO A 59 -11.598 -1.221 -6.256 1.00 0.00 C ATOM 902 C PRO A 59 -11.531 -1.830 -7.652 1.00 0.00 C ATOM 903 O PRO A 59 -12.476 -1.722 -8.434 1.00 0.00 O ATOM 904 CB PRO A 59 -13.054 -1.079 -5.805 1.00 0.00 C ATOM 905 CG PRO A 59 -13.426 0.319 -6.159 1.00 0.00 C ATOM 906 CD PRO A 59 -12.173 1.135 -5.997 1.00 0.00 C ATOM 0 HA PRO A 59 -11.005 -1.885 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.697 -1.800 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.156 -1.257 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.800 0.376 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.219 0.688 -5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.131 1.953 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.108 1.579 -5.004 1.00 0.00 H new ATOM 914 N ASP A 60 -10.409 -2.472 -7.960 1.00 0.00 N ATOM 915 CA ASP A 60 -10.219 -3.100 -9.262 1.00 0.00 C ATOM 916 C ASP A 60 -10.305 -4.619 -9.150 1.00 0.00 C ATOM 917 O ASP A 60 -9.298 -5.327 -9.189 1.00 0.00 O ATOM 918 CB ASP A 60 -8.869 -2.695 -9.855 1.00 0.00 C ATOM 919 CG ASP A 60 -8.770 -3.007 -11.336 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.379 -2.269 -12.139 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.084 -3.987 -11.691 1.00 0.00 O ATOM 0 H ASP A 60 -9.617 -2.571 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.015 -2.757 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.713 -1.627 -9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.071 -3.214 -9.323 1.00 0.00 H new ATOM 926 N PRO A 61 -11.535 -5.134 -9.006 1.00 0.00 N ATOM 927 CA PRO A 61 -11.781 -6.574 -8.884 1.00 0.00 C ATOM 928 C PRO A 61 -11.515 -7.319 -10.188 1.00 0.00 C ATOM 929 O PRO A 61 -11.452 -6.715 -11.258 1.00 0.00 O ATOM 930 CB PRO A 61 -13.266 -6.650 -8.518 1.00 0.00 C ATOM 931 CG PRO A 61 -13.855 -5.395 -9.063 1.00 0.00 C ATOM 932 CD PRO A 61 -12.780 -4.350 -8.951 1.00 0.00 C ATOM 0 HA PRO A 61 -11.123 -7.040 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.737 -7.531 -8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.405 -6.717 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.164 -5.527 -10.100 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.742 -5.104 -8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.836 -3.627 -9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.861 -3.789 -8.020 1.00 0.00 H new ATOM 940 N SER A 62 -11.361 -8.636 -10.090 1.00 0.00 N ATOM 941 CA SER A 62 -11.098 -9.464 -11.262 1.00 0.00 C ATOM 942 C SER A 62 -12.174 -10.533 -11.423 1.00 0.00 C ATOM 943 O SER A 62 -12.968 -10.793 -10.519 1.00 0.00 O ATOM 944 CB SER A 62 -9.722 -10.121 -11.149 1.00 0.00 C ATOM 945 OG SER A 62 -8.748 -9.395 -11.880 1.00 0.00 O ATOM 0 H SER A 62 -11.414 -9.152 -9.212 1.00 0.00 H new ATOM 0 HA SER A 62 -11.114 -8.822 -12.142 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.427 -10.177 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.772 -11.144 -11.521 1.00 0.00 H new ATOM 0 HG SER A 62 -7.877 -9.835 -11.790 1.00 0.00 H new ATOM 951 N PRO A 63 -12.201 -11.171 -12.603 1.00 0.00 N ATOM 952 CA PRO A 63 -13.174 -12.223 -12.912 1.00 0.00 C ATOM 953 C PRO A 63 -12.918 -13.500 -12.118 1.00 0.00 C ATOM 954 O PRO A 63 -13.592 -14.511 -12.316 1.00 0.00 O ATOM 955 CB PRO A 63 -12.963 -12.473 -14.407 1.00 0.00 C ATOM 956 CG PRO A 63 -11.557 -12.054 -14.667 1.00 0.00 C ATOM 957 CD PRO A 63 -11.285 -10.913 -13.726 1.00 0.00 C ATOM 0 HA PRO A 63 -14.191 -11.926 -12.654 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.116 -13.523 -14.658 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.666 -11.896 -15.008 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.865 -12.878 -14.492 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.427 -11.744 -15.704 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.245 -10.900 -13.401 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.485 -9.949 -14.194 1.00 0.00 H new ATOM 965 N ASP A 64 -11.942 -13.446 -11.218 1.00 0.00 N ATOM 966 CA ASP A 64 -11.599 -14.598 -10.393 1.00 0.00 C ATOM 967 C ASP A 64 -11.627 -14.233 -8.912 1.00 0.00 C ATOM 968 O ASP A 64 -11.530 -15.102 -8.045 1.00 0.00 O ATOM 969 CB ASP A 64 -10.216 -15.131 -10.773 1.00 0.00 C ATOM 970 CG ASP A 64 -9.878 -16.423 -10.057 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.670 -17.384 -10.158 1.00 0.00 O ATOM 972 OD2 ASP A 64 -8.819 -16.476 -9.396 1.00 0.00 O ATOM 0 H ASP A 64 -11.375 -12.617 -11.041 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.341 -15.376 -10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.176 -15.294 -11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.462 -14.380 -10.536 1.00 0.00 H new ATOM 977 N HIS A 65 -11.760 -12.941 -8.628 1.00 0.00 N ATOM 978 CA HIS A 65 -11.801 -12.461 -7.252 1.00 0.00 C ATOM 979 C HIS A 65 -12.265 -11.008 -7.197 1.00 0.00 C ATOM 980 O HIS A 65 -11.511 -10.092 -7.528 1.00 0.00 O ATOM 981 CB HIS A 65 -10.424 -12.594 -6.602 1.00 0.00 C ATOM 982 CG HIS A 65 -10.206 -13.911 -5.923 1.00 0.00 C ATOM 983 ND1 HIS A 65 -9.451 -14.976 -6.279 1.00 0.00 N flip ATOM 984 CD2 HIS A 65 -10.806 -14.250 -4.729 1.00 0.00 C flip ATOM 985 CE1 HIS A 65 -9.606 -15.929 -5.303 1.00 0.00 C flip ATOM 986 NE2 HIS A 65 -10.428 -15.467 -4.378 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.841 -12.208 -9.333 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.515 -13.073 -6.701 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.657 -12.456 -7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.297 -11.794 -5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.480 -13.620 -4.168 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.132 -16.900 -5.293 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.721 -15.964 -3.537 1.00 0.00 H new ATOM 995 N LEU A 66 -13.509 -10.804 -6.778 1.00 0.00 N ATOM 996 CA LEU A 66 -14.073 -9.463 -6.680 1.00 0.00 C ATOM 997 C LEU A 66 -13.620 -8.773 -5.397 1.00 0.00 C ATOM 998 O LEU A 66 -14.186 -7.757 -4.993 1.00 0.00 O ATOM 999 CB LEU A 66 -15.601 -9.526 -6.725 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.203 -10.467 -7.770 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.627 -10.844 -7.392 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.167 -9.825 -9.149 1.00 0.00 C ATOM 0 H LEU A 66 -14.146 -11.551 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.713 -8.882 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.961 -9.829 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.981 -8.521 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.604 -11.377 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.039 -11.514 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.626 -11.345 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.238 -9.944 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.599 -10.508 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.741 -8.899 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.134 -9.607 -9.422 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.594 -9.330 -4.763 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.064 -8.769 -3.526 1.00 0.00 C ATOM 1016 C TYR A 67 -10.599 -8.378 -3.689 1.00 0.00 C ATOM 1017 O TYR A 67 -9.748 -8.764 -2.888 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.211 -9.774 -2.382 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.482 -10.589 -2.451 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.690 -10.001 -2.806 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.476 -11.948 -2.161 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.854 -10.741 -2.870 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.635 -12.697 -2.223 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.822 -12.089 -2.577 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.979 -12.830 -2.641 1.00 0.00 O ATOM 0 H TYR A 67 -12.113 -10.170 -5.085 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.636 -7.872 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.356 -10.449 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.184 -9.238 -1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.719 -8.946 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.549 -12.427 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.784 -10.267 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.612 -13.753 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.784 -13.761 -2.407 1.00 0.00 H new ATOM 1035 N SER A 68 -10.312 -7.607 -4.734 1.00 0.00 N ATOM 1036 CA SER A 68 -8.949 -7.164 -5.006 1.00 0.00 C ATOM 1037 C SER A 68 -8.930 -5.701 -5.437 1.00 0.00 C ATOM 1038 O SER A 68 -9.663 -5.298 -6.340 1.00 0.00 O ATOM 1039 CB SER A 68 -8.314 -8.036 -6.091 1.00 0.00 C ATOM 1040 OG SER A 68 -9.300 -8.569 -6.958 1.00 0.00 O ATOM 0 H SER A 68 -11.005 -7.276 -5.406 1.00 0.00 H new ATOM 0 HA SER A 68 -8.371 -7.262 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.601 -7.445 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.755 -8.849 -5.628 1.00 0.00 H new ATOM 0 HG SER A 68 -8.869 -9.121 -7.643 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.085 -4.910 -4.784 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.969 -3.490 -5.097 1.00 0.00 C ATOM 1048 C PHE A 69 -6.551 -3.146 -5.543 1.00 0.00 C ATOM 1049 O PHE A 69 -5.633 -3.954 -5.407 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.353 -2.644 -3.882 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.866 -3.212 -2.579 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.600 -4.180 -1.913 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.675 -2.777 -2.021 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -8.154 -4.703 -0.713 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.224 -3.296 -0.822 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.965 -4.262 -0.168 1.00 0.00 C ATOM 0 H PHE A 69 -7.470 -5.228 -4.035 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.653 -3.267 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.948 -1.640 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.438 -2.548 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.530 -4.530 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.092 -2.023 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.736 -5.456 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.294 -2.947 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.614 -4.671 0.768 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.381 -1.941 -6.077 1.00 0.00 N ATOM 1067 CA ARG A 70 -5.076 -1.489 -6.545 1.00 0.00 C ATOM 1068 C ARG A 70 -4.852 -0.021 -6.196 1.00 0.00 C ATOM 1069 O ARG A 70 -5.805 0.731 -5.987 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.956 -1.689 -8.057 1.00 0.00 C ATOM 1071 CG ARG A 70 -6.038 -0.979 -8.853 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.521 -0.516 -10.206 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.783 -1.568 -10.900 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.608 -1.598 -12.216 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.115 -0.638 -12.978 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -3.924 -2.589 -12.774 1.00 0.00 N ATOM 0 H ARG A 70 -7.131 -1.260 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.312 -2.084 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.981 -1.331 -8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.995 -2.756 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.885 -1.650 -8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.403 -0.121 -8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.360 -0.194 -10.823 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.874 0.351 -10.070 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.380 -2.321 -10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.641 0.126 -12.553 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.979 -0.664 -13.989 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.532 -3.329 -12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.791 -2.611 -13.785 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.587 0.380 -6.134 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.238 1.758 -5.811 1.00 0.00 C ATOM 1092 C ILE A 71 -2.620 2.465 -7.012 1.00 0.00 C ATOM 1093 O ILE A 71 -1.804 1.889 -7.733 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.254 1.827 -4.627 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.681 0.857 -3.524 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.173 3.248 -4.089 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.697 0.773 -2.379 1.00 0.00 C ATOM 0 H ILE A 71 -2.787 -0.229 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.164 2.261 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.264 1.535 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.652 1.165 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.810 -0.136 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.474 3.281 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.828 3.916 -4.878 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.159 3.566 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.065 0.067 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.731 0.435 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.585 1.756 -1.922 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.013 3.717 -7.222 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.496 4.505 -8.336 1.00 0.00 C ATOM 1111 C LEU A 72 -2.190 5.933 -7.896 1.00 0.00 C ATOM 1112 O LEU A 72 -2.951 6.538 -7.141 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.504 4.518 -9.487 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.186 3.186 -9.797 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.613 3.414 -10.272 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.393 2.411 -10.840 1.00 0.00 C ATOM 0 H LEU A 72 -3.688 4.208 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.570 4.044 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.275 5.254 -9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.993 4.860 -10.387 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.220 2.596 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.082 2.454 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.178 3.927 -9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.603 4.024 -11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.893 1.465 -11.049 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.328 2.997 -11.757 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.389 2.215 -10.462 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.071 6.467 -8.376 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.665 7.825 -8.035 1.00 0.00 C ATOM 1130 C HIS A 73 -1.174 8.821 -9.073 1.00 0.00 C ATOM 1131 O HIS A 73 -2.118 9.570 -8.820 1.00 0.00 O ATOM 1132 CB HIS A 73 0.858 7.914 -7.931 1.00 0.00 C ATOM 1133 CG HIS A 73 1.362 9.303 -7.683 1.00 0.00 C ATOM 1134 ND1 HIS A 73 0.755 10.379 -7.131 1.00 0.00 N flip ATOM 1135 CD2 HIS A 73 2.635 9.712 -8.019 1.00 0.00 C flip ATOM 1136 CE1 HIS A 73 1.663 11.409 -7.142 1.00 0.00 C flip ATOM 1137 NE2 HIS A 73 2.790 10.980 -7.682 1.00 0.00 N flip ATOM 0 H HIS A 73 -0.430 5.980 -9.002 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.103 8.077 -7.069 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.197 7.264 -7.125 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.300 7.535 -8.853 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.199 10.418 -6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.388 9.093 -8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.485 12.407 -6.770 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.542 8.825 -10.242 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.931 9.728 -11.319 1.00 0.00 C ATOM 1148 C LYS A 74 -1.307 8.947 -12.574 1.00 0.00 C ATOM 1149 O LYS A 74 -0.965 9.342 -13.688 1.00 0.00 O ATOM 1150 CB LYS A 74 0.209 10.701 -11.633 1.00 0.00 C ATOM 1151 CG LYS A 74 1.000 11.126 -10.408 1.00 0.00 C ATOM 1152 CD LYS A 74 1.556 12.531 -10.565 1.00 0.00 C ATOM 1153 CE LYS A 74 2.828 12.538 -11.399 1.00 0.00 C ATOM 1154 NZ LYS A 74 3.982 11.960 -10.656 1.00 0.00 N ATOM 0 H LYS A 74 0.242 8.213 -10.468 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.803 10.293 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.886 10.235 -12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.203 11.588 -12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.360 11.083 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.819 10.426 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.808 13.169 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.762 12.954 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.665 11.970 -12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.062 13.560 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.712 12.690 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.662 11.621 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.380 11.165 -11.196 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.015 7.838 -12.386 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.427 7.021 -13.512 1.00 0.00 C ATOM 1170 C GLY A 75 -1.601 5.757 -13.644 1.00 0.00 C ATOM 1171 O GLY A 75 -1.842 4.941 -14.533 1.00 0.00 O ATOM 0 H GLY A 75 -2.311 7.491 -11.474 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.478 6.754 -13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.343 7.604 -14.429 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.623 5.596 -12.759 1.00 0.00 N ATOM 1176 CA GLU A 76 0.243 4.423 -12.783 1.00 0.00 C ATOM 1177 C GLU A 76 -0.125 3.451 -11.666 1.00 0.00 C ATOM 1178 O GLU A 76 -1.011 3.727 -10.857 1.00 0.00 O ATOM 1179 CB GLU A 76 1.709 4.840 -12.648 1.00 0.00 C ATOM 1180 CG GLU A 76 2.417 5.017 -13.981 1.00 0.00 C ATOM 1181 CD GLU A 76 3.847 5.495 -13.823 1.00 0.00 C ATOM 1182 OE1 GLU A 76 4.513 5.063 -12.859 1.00 0.00 O ATOM 1183 OE2 GLU A 76 4.300 6.301 -14.662 1.00 0.00 O ATOM 0 H GLU A 76 -0.410 6.262 -12.017 1.00 0.00 H new ATOM 0 HA GLU A 76 0.102 3.920 -13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.762 5.775 -12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.239 4.089 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.412 4.069 -14.519 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.864 5.732 -14.590 1.00 0.00 H new ATOM 1190 N GLU A 77 0.561 2.313 -11.629 1.00 0.00 N ATOM 1191 CA GLU A 77 0.305 1.300 -10.612 1.00 0.00 C ATOM 1192 C GLU A 77 1.380 1.331 -9.529 1.00 0.00 C ATOM 1193 O GLU A 77 2.568 1.168 -9.813 1.00 0.00 O ATOM 1194 CB GLU A 77 0.247 -0.090 -11.248 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.161 -1.187 -10.279 1.00 0.00 C ATOM 1196 CD GLU A 77 0.128 -2.576 -10.814 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -0.643 -3.052 -11.674 1.00 0.00 O ATOM 1198 OE2 GLU A 77 1.124 -3.187 -10.374 1.00 0.00 O ATOM 0 H GLU A 77 1.298 2.070 -12.291 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.657 1.521 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.458 -0.071 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.225 -0.331 -11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.367 -1.048 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.226 -1.099 -10.064 1.00 0.00 H new ATOM 1205 N LEU A 78 0.956 1.543 -8.288 1.00 0.00 N ATOM 1206 CA LEU A 78 1.881 1.597 -7.162 1.00 0.00 C ATOM 1207 C LEU A 78 1.928 0.259 -6.431 1.00 0.00 C ATOM 1208 O LEU A 78 3.004 -0.256 -6.127 1.00 0.00 O ATOM 1209 CB LEU A 78 1.471 2.707 -6.192 1.00 0.00 C ATOM 1210 CG LEU A 78 1.660 4.139 -6.693 1.00 0.00 C ATOM 1211 CD1 LEU A 78 3.088 4.604 -6.455 1.00 0.00 C ATOM 1212 CD2 LEU A 78 1.303 4.240 -8.169 1.00 0.00 C ATOM 0 H LEU A 78 -0.023 1.680 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 78 2.876 1.812 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.421 2.569 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.042 2.587 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 78 0.990 4.790 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.203 5.625 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.308 4.571 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.777 3.949 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.444 5.266 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.947 3.576 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.262 3.950 -8.312 1.00 0.00 H new ATOM 1224 N ALA A 79 0.754 -0.299 -6.154 1.00 0.00 N ATOM 1225 CA ALA A 79 0.662 -1.579 -5.463 1.00 0.00 C ATOM 1226 C ALA A 79 -0.686 -2.245 -5.720 1.00 0.00 C ATOM 1227 O ALA A 79 -1.680 -1.573 -5.998 1.00 0.00 O ATOM 1228 CB ALA A 79 0.883 -1.390 -3.970 1.00 0.00 C ATOM 0 H ALA A 79 -0.146 0.115 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 79 1.442 -2.232 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.811 -2.354 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.872 -0.964 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.124 -0.716 -3.572 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.713 -3.570 -5.625 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.939 -4.328 -5.846 1.00 0.00 C ATOM 1236 C LYS A 80 -2.157 -5.348 -4.733 1.00 0.00 C ATOM 1237 O LYS A 80 -1.420 -6.329 -4.623 1.00 0.00 O ATOM 1238 CB LYS A 80 -1.886 -5.039 -7.200 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.211 -5.655 -7.616 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.359 -5.690 -9.128 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.536 -6.556 -9.553 1.00 0.00 C ATOM 1242 NZ LYS A 80 -4.898 -6.338 -10.980 1.00 0.00 N ATOM 0 H LYS A 80 0.100 -4.141 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.775 -3.628 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.571 -4.327 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.128 -5.821 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.283 -6.667 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.031 -5.083 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.497 -4.677 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.443 -6.075 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.289 -7.606 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.397 -6.334 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.704 -6.946 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.158 -5.341 -11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.085 -6.574 -11.584 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.172 -5.111 -3.910 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.488 -6.011 -2.806 1.00 0.00 C ATOM 1258 C LEU A 81 -4.810 -6.731 -3.051 1.00 0.00 C ATOM 1259 O LEU A 81 -5.629 -6.288 -3.855 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.555 -5.231 -1.491 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.269 -4.523 -1.065 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.050 -5.314 -1.511 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.226 -3.110 -1.629 1.00 0.00 C ATOM 0 H LEU A 81 -3.790 -4.303 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.696 -6.757 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.346 -4.486 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.847 -5.919 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.256 -4.459 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.144 -4.794 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.074 -6.305 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.056 -5.411 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.304 -2.621 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.263 -3.151 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.081 -2.544 -1.258 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.010 -7.844 -2.351 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.233 -8.625 -2.493 1.00 0.00 C ATOM 1277 C GLU A 82 -6.668 -9.203 -1.149 1.00 0.00 C ATOM 1278 O GLU A 82 -5.855 -9.746 -0.402 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.029 -9.755 -3.504 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.939 -10.949 -3.274 1.00 0.00 C ATOM 1281 CD GLU A 82 -7.084 -11.819 -4.508 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -7.657 -11.338 -5.508 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.625 -12.979 -4.474 1.00 0.00 O ATOM 0 H GLU A 82 -4.342 -8.224 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.018 -7.961 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.199 -9.367 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.991 -10.086 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.544 -11.550 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.923 -10.597 -2.965 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.957 -9.080 -0.849 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.502 -9.591 0.403 1.00 0.00 C ATOM 1292 C ALA A 83 -9.026 -11.013 0.234 1.00 0.00 C ATOM 1293 O ALA A 83 -8.877 -11.619 -0.827 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.606 -8.676 0.910 1.00 0.00 C ATOM 0 H ALA A 83 -8.643 -8.631 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.698 -9.614 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.004 -9.070 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.202 -7.678 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.404 -8.624 0.170 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.640 -11.541 1.287 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.188 -12.892 1.257 1.00 0.00 C ATOM 1302 C LYS A 84 -11.686 -12.866 0.973 1.00 0.00 C ATOM 1303 O LYS A 84 -12.218 -13.755 0.308 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.921 -13.603 2.585 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.750 -13.065 3.739 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.440 -13.795 5.036 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.316 -15.027 5.205 1.00 0.00 C ATOM 1308 NZ LYS A 84 -12.730 -14.666 5.498 1.00 0.00 N ATOM 0 H LYS A 84 -9.771 -11.053 2.173 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.694 -13.439 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.126 -14.667 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.864 -13.508 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.554 -12.000 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.810 -13.169 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.390 -14.089 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.591 -13.121 5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.276 -15.629 4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.924 -15.643 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.217 -15.484 5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.754 -13.869 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.208 -14.392 4.616 1.00 0.00 H new ATOM 1322 N SER A 85 -12.362 -11.840 1.481 1.00 0.00 N ATOM 1323 CA SER A 85 -13.800 -11.699 1.284 1.00 0.00 C ATOM 1324 C SER A 85 -14.156 -10.270 0.884 1.00 0.00 C ATOM 1325 O SER A 85 -13.350 -9.352 1.035 1.00 0.00 O ATOM 1326 CB SER A 85 -14.551 -12.085 2.560 1.00 0.00 C ATOM 1327 OG SER A 85 -15.875 -11.582 2.544 1.00 0.00 O ATOM 0 H SER A 85 -11.937 -11.094 2.032 1.00 0.00 H new ATOM 0 HA SER A 85 -14.099 -12.369 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.572 -13.170 2.659 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.021 -11.696 3.429 1.00 0.00 H new ATOM 0 HG SER A 85 -16.334 -11.844 3.369 1.00 0.00 H new ATOM 1333 N SER A 86 -15.369 -10.091 0.372 1.00 0.00 N ATOM 1334 CA SER A 86 -15.832 -8.776 -0.055 1.00 0.00 C ATOM 1335 C SER A 86 -15.804 -7.787 1.107 1.00 0.00 C ATOM 1336 O SER A 86 -15.423 -6.629 0.940 1.00 0.00 O ATOM 1337 CB SER A 86 -17.249 -8.871 -0.624 1.00 0.00 C ATOM 1338 OG SER A 86 -18.203 -9.050 0.408 1.00 0.00 O ATOM 0 H SER A 86 -16.049 -10.840 0.243 1.00 0.00 H new ATOM 0 HA SER A 86 -15.159 -8.416 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.481 -7.965 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.307 -9.703 -1.326 1.00 0.00 H new ATOM 0 HG SER A 86 -19.100 -9.106 0.018 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.210 -8.254 2.283 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.232 -7.410 3.472 1.00 0.00 C ATOM 1346 C GLU A 87 -14.824 -6.952 3.841 1.00 0.00 C ATOM 1347 O GLU A 87 -14.614 -5.798 4.214 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.859 -8.164 4.648 1.00 0.00 C ATOM 1349 CG GLU A 87 -17.472 -7.252 5.697 1.00 0.00 C ATOM 1350 CD GLU A 87 -17.872 -7.998 6.956 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -17.181 -8.977 7.310 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -18.875 -7.605 7.586 1.00 0.00 O ATOM 0 H GLU A 87 -16.528 -9.211 2.438 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.835 -6.530 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -17.628 -8.837 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.097 -8.785 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.759 -6.469 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.349 -6.759 5.277 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.864 -7.865 3.733 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.476 -7.555 4.056 1.00 0.00 C ATOM 1361 C GLU A 88 -11.955 -6.418 3.182 1.00 0.00 C ATOM 1362 O GLU A 88 -11.449 -5.416 3.685 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.598 -8.795 3.876 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.231 -8.673 4.529 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.680 -10.011 4.982 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.103 -10.496 6.052 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.824 -10.572 4.266 1.00 0.00 O ATOM 0 H GLU A 88 -14.022 -8.824 3.425 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.434 -7.238 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.115 -9.659 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.467 -8.985 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.535 -8.217 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.300 -8.004 5.386 1.00 0.00 H new ATOM 1374 N MET A 89 -12.083 -6.582 1.869 1.00 0.00 N ATOM 1375 CA MET A 89 -11.626 -5.569 0.924 1.00 0.00 C ATOM 1376 C MET A 89 -12.267 -4.218 1.223 1.00 0.00 C ATOM 1377 O MET A 89 -11.669 -3.170 0.985 1.00 0.00 O ATOM 1378 CB MET A 89 -11.951 -5.995 -0.509 1.00 0.00 C ATOM 1379 CG MET A 89 -13.438 -5.985 -0.824 1.00 0.00 C ATOM 1380 SD MET A 89 -13.777 -5.670 -2.567 1.00 0.00 S ATOM 1381 CE MET A 89 -12.831 -4.172 -2.829 1.00 0.00 C ATOM 0 H MET A 89 -12.499 -7.406 1.435 1.00 0.00 H new ATOM 0 HA MET A 89 -10.546 -5.470 1.030 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.437 -5.330 -1.202 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.559 -6.998 -0.679 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.872 -6.944 -0.541 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.928 -5.222 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.346 -3.538 -3.551 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.727 -3.637 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.843 -4.428 -3.211 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.489 -4.250 1.746 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.191 -3.021 2.069 1.00 0.00 C ATOM 1393 C GLY A 90 -13.605 -2.319 3.278 1.00 0.00 C ATOM 1394 O GLY A 90 -13.745 -1.105 3.428 1.00 0.00 O ATOM 0 H GLY A 90 -14.006 -5.105 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.156 -2.350 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.241 -3.245 2.256 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.950 -3.085 4.145 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.342 -2.528 5.348 1.00 0.00 C ATOM 1400 C HIS A 91 -11.002 -1.872 5.027 1.00 0.00 C ATOM 1401 O HIS A 91 -10.589 -0.924 5.694 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.148 -3.622 6.399 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.088 -3.302 7.408 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.293 -2.447 8.470 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.808 -3.730 7.512 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.184 -2.361 9.183 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.268 -3.131 8.624 1.00 0.00 N ATOM 0 H HIS A 91 -12.827 -4.092 4.037 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.013 -1.766 5.745 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.093 -3.788 6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.891 -4.555 5.897 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.305 -4.415 6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.049 -1.763 10.072 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.315 -3.260 8.963 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.330 -2.383 4.002 1.00 0.00 N ATOM 1417 CA TRP A 92 -9.036 -1.847 3.593 1.00 0.00 C ATOM 1418 C TRP A 92 -9.212 -0.621 2.704 1.00 0.00 C ATOM 1419 O TRP A 92 -8.574 0.411 2.919 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.228 -2.916 2.855 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.497 -3.847 3.774 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.960 -5.027 4.283 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.175 -3.676 4.294 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.005 -5.599 5.088 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.900 -4.790 5.111 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.195 -2.690 4.148 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.688 -4.943 5.778 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.992 -2.843 4.811 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.746 -3.963 5.617 1.00 0.00 C ATOM 0 H TRP A 92 -10.659 -3.167 3.439 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.494 -1.548 4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.899 -3.495 2.221 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.509 -2.428 2.197 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.934 -5.448 4.082 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.103 -6.483 5.588 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.375 -1.824 3.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.497 -5.805 6.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.228 -2.087 4.706 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.795 -4.055 6.121 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.080 -0.739 1.706 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.340 0.361 0.783 1.00 0.00 C ATOM 1442 C LEU A 93 -10.357 1.696 1.520 1.00 0.00 C ATOM 1443 O LEU A 93 -9.559 2.587 1.231 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.673 0.145 0.064 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.628 -0.746 -1.178 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -13.001 -0.824 -1.828 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.596 -0.228 -2.169 1.00 0.00 C ATOM 0 H LEU A 93 -10.616 -1.585 1.515 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.537 0.383 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.379 -0.288 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.069 1.118 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.336 -1.750 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.950 -1.462 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.716 -1.241 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.322 0.176 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.578 -0.874 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.858 0.786 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.612 -0.224 -1.701 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.272 1.828 2.476 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.375 3.057 3.241 1.00 0.00 C ATOM 1461 C GLY A 94 -10.149 3.311 4.096 1.00 0.00 C ATOM 1462 O GLY A 94 -9.750 4.459 4.296 1.00 0.00 O ATOM 0 H GLY A 94 -11.944 1.105 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.519 3.895 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.257 3.011 3.880 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.552 2.239 4.604 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.365 2.352 5.445 1.00 0.00 C ATOM 1468 C LEU A 95 -7.229 3.039 4.694 1.00 0.00 C ATOM 1469 O LEU A 95 -6.667 4.028 5.167 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.916 0.967 5.915 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.504 0.880 6.495 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.524 1.152 7.991 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.891 -0.483 6.207 1.00 0.00 C ATOM 0 H LEU A 95 -9.870 1.282 4.449 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.621 2.959 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.619 0.616 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.984 0.280 5.072 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.888 1.641 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.510 1.086 8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.920 2.151 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.156 0.415 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.886 -0.526 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.507 -1.261 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.840 -0.639 5.129 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.897 2.511 3.521 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.829 3.076 2.703 1.00 0.00 C ATOM 1487 C LEU A 96 -6.200 4.470 2.209 1.00 0.00 C ATOM 1488 O LEU A 96 -5.439 5.424 2.378 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.535 2.162 1.512 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.954 0.788 1.848 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.285 -0.214 0.752 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.449 0.880 2.051 1.00 0.00 C ATOM 0 H LEU A 96 -7.352 1.693 3.115 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.935 3.156 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.460 2.017 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.840 2.676 0.848 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.405 0.442 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.864 -1.186 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.367 -0.302 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.862 0.127 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.053 -0.107 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.981 1.248 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.234 1.565 2.871 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.376 4.583 1.600 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.851 5.862 1.084 1.00 0.00 C ATOM 1506 C LEU A 97 -7.621 6.978 2.098 1.00 0.00 C ATOM 1507 O LEU A 97 -7.178 8.070 1.743 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.337 5.773 0.734 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.674 5.107 -0.601 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.077 4.522 -0.567 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.536 6.103 -1.743 1.00 0.00 C ATOM 0 H LEU A 97 -8.018 3.804 1.452 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.285 6.094 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.845 5.226 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.749 6.782 0.728 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.968 4.293 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.299 4.053 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.141 3.777 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.798 5.317 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.779 5.612 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.218 6.938 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.512 6.473 -1.781 1.00 0.00 H new ATOM 1523 N SER A 98 -7.923 6.694 3.361 1.00 0.00 N ATOM 1524 CA SER A 98 -7.751 7.674 4.426 1.00 0.00 C ATOM 1525 C SER A 98 -6.308 8.164 4.486 1.00 0.00 C ATOM 1526 O SER A 98 -6.049 9.367 4.481 1.00 0.00 O ATOM 1527 CB SER A 98 -8.153 7.070 5.773 1.00 0.00 C ATOM 1528 OG SER A 98 -8.506 8.082 6.701 1.00 0.00 O ATOM 0 H SER A 98 -8.288 5.793 3.671 1.00 0.00 H new ATOM 0 HA SER A 98 -8.396 8.525 4.210 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.994 6.390 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.328 6.479 6.171 1.00 0.00 H new ATOM 0 HG SER A 98 -8.761 7.670 7.553 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.371 7.222 4.542 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.954 7.558 4.604 1.00 0.00 C ATOM 1536 C GLU A 99 -3.511 8.285 3.337 1.00 0.00 C ATOM 1537 O GLU A 99 -2.899 9.351 3.402 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.115 6.293 4.798 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.466 5.517 6.056 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.048 6.239 7.322 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -3.560 7.351 7.569 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.209 5.691 8.068 1.00 0.00 O ATOM 0 H GLU A 99 -5.568 6.221 4.546 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.801 8.221 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.246 5.644 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.061 6.568 4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.541 5.340 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.983 4.540 6.023 1.00 0.00 H new ATOM 1549 N SER A 100 -3.826 7.701 2.186 1.00 0.00 N ATOM 1550 CA SER A 100 -3.458 8.290 0.904 1.00 0.00 C ATOM 1551 C SER A 100 -4.353 9.481 0.576 1.00 0.00 C ATOM 1552 O SER A 100 -5.336 9.742 1.267 1.00 0.00 O ATOM 1553 CB SER A 100 -3.553 7.244 -0.209 1.00 0.00 C ATOM 1554 OG SER A 100 -4.884 6.783 -0.362 1.00 0.00 O ATOM 0 H SER A 100 -4.335 6.820 2.115 1.00 0.00 H new ATOM 0 HA SER A 100 -2.428 8.640 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.203 7.674 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.898 6.404 0.020 1.00 0.00 H new ATOM 0 HG SER A 100 -5.136 6.246 0.418 1.00 0.00 H new