USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 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 : no HD1:sc= -0.906 K(o=-0.91,f=-2.3!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-3.1!) 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= 0.215 K(o=0.21,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.9!) USER MOD Single : A 20 SER OG : rot -52:sc= 0.463 USER MOD Single : A 21 GLN : amide:sc= -0.0636 K(o=-0.064,f=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc=-0.00692 (180deg=-0.00692) USER MOD Single : A 24 SER OG : rot 46:sc= 1.07 USER MOD Single : A 27 CYS SG : rot 133:sc= 0.535 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 33 HIS : no HE2:sc= -2.04! C(o=-2!,f=-7.7!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 1.34 K(o=1.3,f=-1.4) USER MOD Single : A 48 GLN : amide:sc= 0.422 K(o=0.42,f=-5.8!) USER MOD Single : A 51 SER OG : rot 44:sc= 0.803 USER MOD Single : A 55 CYS SG : rot 93:sc= 1.15 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -79:sc= -0.274 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.321) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -132:sc= -1.11 (180deg=-2.75!) USER MOD Single : A 91 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 98 SER OG : rot -39:sc= 0.68 USER MOD Single : A 100 SER OG : rot -9:sc= 0.773 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -4.450 -10.964 6.540 1.00 0.00 N ATOM 137 CA TYR A 13 -3.757 -11.737 5.516 1.00 0.00 C ATOM 138 C TYR A 13 -4.179 -11.292 4.119 1.00 0.00 C ATOM 139 O TYR A 13 -5.207 -11.729 3.599 1.00 0.00 O ATOM 140 CB TYR A 13 -4.040 -13.230 5.696 1.00 0.00 C ATOM 141 CG TYR A 13 -3.310 -13.848 6.866 1.00 0.00 C ATOM 142 CD1 TYR A 13 -3.711 -13.595 8.172 1.00 0.00 C ATOM 143 CD2 TYR A 13 -2.220 -14.686 6.666 1.00 0.00 C ATOM 144 CE1 TYR A 13 -3.046 -14.158 9.245 1.00 0.00 C ATOM 145 CE2 TYR A 13 -1.550 -15.254 7.733 1.00 0.00 C ATOM 146 CZ TYR A 13 -1.967 -14.986 9.020 1.00 0.00 C ATOM 147 OH TYR A 13 -1.303 -15.550 10.086 1.00 0.00 O ATOM 0 HA TYR A 13 -2.687 -11.561 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.112 -13.374 5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.759 -13.757 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.557 -12.948 8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.891 -14.897 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.370 -13.950 10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.705 -15.904 7.560 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.568 -16.108 9.756 1.00 0.00 H new ATOM 157 N LEU A 14 -3.378 -10.421 3.516 1.00 0.00 N ATOM 158 CA LEU A 14 -3.665 -9.916 2.178 1.00 0.00 C ATOM 159 C LEU A 14 -2.804 -10.619 1.134 1.00 0.00 C ATOM 160 O LEU A 14 -1.944 -11.432 1.470 1.00 0.00 O ATOM 161 CB LEU A 14 -3.427 -8.406 2.120 1.00 0.00 C ATOM 162 CG LEU A 14 -4.537 -7.529 2.700 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.232 -6.057 2.464 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.882 -7.901 2.095 1.00 0.00 C ATOM 0 H LEU A 14 -2.524 -10.050 3.932 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.712 -10.121 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.501 -8.184 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.274 -8.122 1.079 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.586 -7.701 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.033 -5.448 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.289 -5.799 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.155 -5.868 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.660 -7.267 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.847 -7.759 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.104 -8.945 2.316 1.00 0.00 H new ATOM 176 N ASN A 15 -3.041 -10.299 -0.134 1.00 0.00 N ATOM 177 CA ASN A 15 -2.286 -10.899 -1.228 1.00 0.00 C ATOM 178 C ASN A 15 -1.675 -9.823 -2.121 1.00 0.00 C ATOM 179 O ASN A 15 -2.390 -9.081 -2.795 1.00 0.00 O ATOM 180 CB ASN A 15 -3.189 -11.814 -2.057 1.00 0.00 C ATOM 181 CG ASN A 15 -3.188 -13.243 -1.549 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.163 -13.750 -1.092 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.339 -13.899 -1.627 1.00 0.00 N ATOM 0 H ASN A 15 -3.750 -9.628 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.478 -11.491 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.208 -11.426 -2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.860 -11.801 -3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.399 -14.864 -1.301 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.163 -13.439 -2.013 1.00 0.00 H new ATOM 190 N VAL A 16 -0.348 -9.745 -2.121 1.00 0.00 N ATOM 191 CA VAL A 16 0.360 -8.762 -2.933 1.00 0.00 C ATOM 192 C VAL A 16 0.766 -9.351 -4.279 1.00 0.00 C ATOM 193 O VAL A 16 1.563 -10.288 -4.345 1.00 0.00 O ATOM 194 CB VAL A 16 1.618 -8.241 -2.213 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.288 -7.149 -3.032 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.264 -7.735 -0.822 1.00 0.00 C ATOM 0 H VAL A 16 0.258 -10.351 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.327 -7.932 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 16 2.323 -9.066 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.175 -6.793 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.577 -7.549 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.593 -6.321 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.164 -7.371 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.541 -6.923 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.833 -8.548 -0.238 1.00 0.00 H new ATOM 206 N LEU A 17 0.213 -8.796 -5.352 1.00 0.00 N ATOM 207 CA LEU A 17 0.518 -9.265 -6.699 1.00 0.00 C ATOM 208 C LEU A 17 2.005 -9.112 -7.006 1.00 0.00 C ATOM 209 O LEU A 17 2.567 -8.025 -6.875 1.00 0.00 O ATOM 210 CB LEU A 17 -0.309 -8.493 -7.729 1.00 0.00 C ATOM 211 CG LEU A 17 -0.307 -9.057 -9.150 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.037 -10.390 -9.197 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.939 -8.067 -10.118 1.00 0.00 C ATOM 0 H LEU A 17 -0.449 -8.021 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 17 0.261 -10.323 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.340 -8.449 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.059 -7.468 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 17 0.727 -9.222 -9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.025 -10.776 -10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.541 -11.100 -8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.069 -10.251 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.929 -8.485 -11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.968 -7.870 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.373 -7.135 -10.107 1.00 0.00 H new ATOM 225 N VAL A 18 2.635 -10.208 -7.417 1.00 0.00 N ATOM 226 CA VAL A 18 4.055 -10.195 -7.746 1.00 0.00 C ATOM 227 C VAL A 18 4.349 -11.083 -8.950 1.00 0.00 C ATOM 228 O VAL A 18 4.006 -12.264 -8.960 1.00 0.00 O ATOM 229 CB VAL A 18 4.912 -10.664 -6.555 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.377 -10.753 -6.952 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.729 -9.731 -5.367 1.00 0.00 C ATOM 0 H VAL A 18 2.184 -11.116 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 18 4.314 -9.164 -7.987 1.00 0.00 H new ATOM 0 HB VAL A 18 4.579 -11.660 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.966 -11.086 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.490 -11.465 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.727 -9.772 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.342 -10.077 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.033 -8.722 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.681 -9.724 -5.068 1.00 0.00 H new ATOM 241 N ASN A 19 4.985 -10.505 -9.963 1.00 0.00 N ATOM 242 CA ASN A 19 5.325 -11.244 -11.174 1.00 0.00 C ATOM 243 C ASN A 19 4.123 -12.032 -11.685 1.00 0.00 C ATOM 244 O ASN A 19 4.244 -13.203 -12.046 1.00 0.00 O ATOM 245 CB ASN A 19 6.495 -12.193 -10.905 1.00 0.00 C ATOM 246 CG ASN A 19 7.840 -11.538 -11.150 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.915 -10.355 -11.483 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.911 -12.306 -10.988 1.00 0.00 N ATOM 0 H ASN A 19 5.276 -9.527 -9.970 1.00 0.00 H new ATOM 0 HA ASN A 19 5.618 -10.525 -11.939 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.446 -12.542 -9.873 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.400 -13.072 -11.543 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.843 -11.920 -11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.802 -13.282 -10.711 1.00 0.00 H new ATOM 255 N SER A 20 2.965 -11.381 -11.714 1.00 0.00 N ATOM 256 CA SER A 20 1.740 -12.021 -12.179 1.00 0.00 C ATOM 257 C SER A 20 1.357 -13.186 -11.271 1.00 0.00 C ATOM 258 O SER A 20 0.771 -14.170 -11.720 1.00 0.00 O ATOM 259 CB SER A 20 1.911 -12.516 -13.616 1.00 0.00 C ATOM 260 OG SER A 20 0.670 -12.922 -14.168 1.00 0.00 O ATOM 0 H SER A 20 2.849 -10.411 -11.421 1.00 0.00 H new ATOM 0 HA SER A 20 0.940 -11.281 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.343 -11.724 -14.228 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.611 -13.351 -13.635 1.00 0.00 H new ATOM 0 HG SER A 20 0.233 -13.555 -13.561 1.00 0.00 H new ATOM 266 N GLN A 21 1.693 -13.065 -9.990 1.00 0.00 N ATOM 267 CA GLN A 21 1.386 -14.107 -9.018 1.00 0.00 C ATOM 268 C GLN A 21 1.012 -13.501 -7.670 1.00 0.00 C ATOM 269 O GLN A 21 1.797 -12.767 -7.070 1.00 0.00 O ATOM 270 CB GLN A 21 2.580 -15.049 -8.854 1.00 0.00 C ATOM 271 CG GLN A 21 2.924 -15.822 -10.118 1.00 0.00 C ATOM 272 CD GLN A 21 4.330 -16.387 -10.092 1.00 0.00 C ATOM 273 OE1 GLN A 21 5.125 -16.065 -9.208 1.00 0.00 O ATOM 274 NE2 GLN A 21 4.646 -17.235 -11.063 1.00 0.00 N ATOM 0 H GLN A 21 2.178 -12.256 -9.602 1.00 0.00 H new ATOM 0 HA GLN A 21 0.533 -14.675 -9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.450 -14.469 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.367 -15.756 -8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.211 -16.637 -10.246 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.816 -15.166 -10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.956 -17.474 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.578 -17.647 -11.097 1.00 0.00 H new ATOM 283 N TRP A 22 -0.190 -13.813 -7.199 1.00 0.00 N ATOM 284 CA TRP A 22 -0.667 -13.299 -5.921 1.00 0.00 C ATOM 285 C TRP A 22 0.123 -13.899 -4.763 1.00 0.00 C ATOM 286 O TRP A 22 -0.029 -15.077 -4.440 1.00 0.00 O ATOM 287 CB TRP A 22 -2.157 -13.602 -5.750 1.00 0.00 C ATOM 288 CG TRP A 22 -3.037 -12.776 -6.639 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.661 -13.185 -7.782 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.388 -11.400 -6.457 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.380 -12.145 -8.323 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.229 -11.040 -7.528 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.075 -10.438 -5.493 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.758 -9.759 -7.660 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.601 -9.167 -5.626 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.436 -8.837 -6.702 1.00 0.00 C ATOM 0 H TRP A 22 -0.852 -14.419 -7.683 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.520 -12.219 -5.915 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.332 -14.658 -5.957 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.439 -13.430 -4.711 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.599 -14.179 -8.200 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.935 -12.189 -9.177 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.434 -10.683 -4.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.400 -9.502 -8.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.364 -8.415 -4.888 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.833 -7.835 -6.776 1.00 0.00 H new ATOM 307 N LYS A 23 0.966 -13.082 -4.141 1.00 0.00 N ATOM 308 CA LYS A 23 1.779 -13.531 -3.018 1.00 0.00 C ATOM 309 C LYS A 23 1.097 -13.213 -1.691 1.00 0.00 C ATOM 310 O LYS A 23 0.462 -12.170 -1.543 1.00 0.00 O ATOM 311 CB LYS A 23 3.159 -12.872 -3.065 1.00 0.00 C ATOM 312 CG LYS A 23 3.844 -12.989 -4.415 1.00 0.00 C ATOM 313 CD LYS A 23 4.213 -14.430 -4.730 1.00 0.00 C ATOM 314 CE LYS A 23 3.124 -15.120 -5.537 1.00 0.00 C ATOM 315 NZ LYS A 23 3.393 -16.576 -5.699 1.00 0.00 N ATOM 0 H LYS A 23 1.104 -12.104 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 23 1.897 -14.612 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.057 -11.817 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.795 -13.325 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.185 -12.603 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.743 -12.372 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.150 -14.454 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.380 -14.975 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.162 -14.981 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.048 -14.653 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.629 -17.011 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.299 -16.709 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.440 -17.027 -4.763 1.00 0.00 H new ATOM 329 N SER A 24 1.235 -14.119 -0.728 1.00 0.00 N ATOM 330 CA SER A 24 0.629 -13.936 0.586 1.00 0.00 C ATOM 331 C SER A 24 1.648 -13.389 1.581 1.00 0.00 C ATOM 332 O SER A 24 2.516 -14.118 2.062 1.00 0.00 O ATOM 333 CB SER A 24 0.060 -15.260 1.098 1.00 0.00 C ATOM 334 OG SER A 24 1.090 -16.210 1.311 1.00 0.00 O ATOM 0 H SER A 24 1.761 -14.987 -0.833 1.00 0.00 H new ATOM 0 HA SER A 24 -0.182 -13.215 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.481 -15.091 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.658 -15.653 0.379 1.00 0.00 H new ATOM 0 HG SER A 24 1.829 -15.788 1.797 1.00 0.00 H new ATOM 340 N ARG A 25 1.535 -12.100 1.886 1.00 0.00 N ATOM 341 CA ARG A 25 2.445 -11.454 2.823 1.00 0.00 C ATOM 342 C ARG A 25 1.672 -10.675 3.883 1.00 0.00 C ATOM 343 O ARG A 25 0.536 -10.259 3.656 1.00 0.00 O ATOM 344 CB ARG A 25 3.397 -10.516 2.078 1.00 0.00 C ATOM 345 CG ARG A 25 2.774 -9.175 1.721 1.00 0.00 C ATOM 346 CD ARG A 25 2.981 -8.153 2.827 1.00 0.00 C ATOM 347 NE ARG A 25 2.423 -6.849 2.479 1.00 0.00 N ATOM 348 CZ ARG A 25 1.121 -6.617 2.356 1.00 0.00 C ATOM 349 NH1 ARG A 25 0.248 -7.595 2.552 1.00 0.00 N ATOM 350 NH2 ARG A 25 0.690 -5.403 2.036 1.00 0.00 N ATOM 0 H ARG A 25 0.822 -11.483 1.497 1.00 0.00 H new ATOM 0 HA ARG A 25 3.026 -12.231 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.280 -10.345 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.735 -11.005 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.212 -8.804 0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.707 -9.305 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.516 -8.513 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.047 -8.049 3.029 1.00 0.00 H new ATOM 0 HE ARG A 25 3.068 -6.075 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.575 -8.529 2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.751 -7.413 2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.359 -4.648 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.310 -5.225 1.942 1.00 0.00 H new ATOM 364 N TRP A 26 2.296 -10.482 5.040 1.00 0.00 N ATOM 365 CA TRP A 26 1.666 -9.753 6.135 1.00 0.00 C ATOM 366 C TRP A 26 1.724 -8.249 5.893 1.00 0.00 C ATOM 367 O TRP A 26 2.802 -7.682 5.710 1.00 0.00 O ATOM 368 CB TRP A 26 2.347 -10.096 7.461 1.00 0.00 C ATOM 369 CG TRP A 26 1.577 -9.634 8.661 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.272 -8.345 8.993 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.017 -10.459 9.689 1.00 0.00 C ATOM 372 NE1 TRP A 26 0.556 -8.319 10.166 1.00 0.00 N ATOM 373 CE2 TRP A 26 0.385 -9.603 10.612 1.00 0.00 C ATOM 374 CE3 TRP A 26 0.986 -11.837 9.918 1.00 0.00 C ATOM 375 CZ2 TRP A 26 -0.268 -10.082 11.745 1.00 0.00 C ATOM 376 CZ3 TRP A 26 0.337 -12.311 11.043 1.00 0.00 C ATOM 377 CH2 TRP A 26 -0.283 -11.435 11.944 1.00 0.00 C ATOM 0 H TRP A 26 3.237 -10.820 5.244 1.00 0.00 H new ATOM 0 HA TRP A 26 0.619 -10.053 6.184 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.486 -11.175 7.521 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.339 -9.645 7.479 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.552 -7.474 8.419 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.208 -7.480 10.629 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.460 -12.520 9.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -0.746 -9.409 12.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.307 -13.374 11.231 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -0.783 -11.836 12.813 1.00 0.00 H new ATOM 388 N CYS A 27 0.560 -7.609 5.893 1.00 0.00 N ATOM 389 CA CYS A 27 0.479 -6.169 5.673 1.00 0.00 C ATOM 390 C CYS A 27 0.565 -5.411 6.993 1.00 0.00 C ATOM 391 O CYS A 27 0.099 -5.890 8.027 1.00 0.00 O ATOM 392 CB CYS A 27 -0.822 -5.815 4.951 1.00 0.00 C ATOM 393 SG CYS A 27 -2.273 -6.700 5.569 1.00 0.00 S ATOM 0 H CYS A 27 -0.340 -8.064 6.043 1.00 0.00 H new ATOM 0 HA CYS A 27 1.324 -5.874 5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.997 -4.743 5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.705 -6.028 3.888 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.245 -5.859 5.760 1.00 0.00 H new ATOM 399 N SER A 28 1.166 -4.226 6.951 1.00 0.00 N ATOM 400 CA SER A 28 1.318 -3.404 8.146 1.00 0.00 C ATOM 401 C SER A 28 1.410 -1.926 7.780 1.00 0.00 C ATOM 402 O SER A 28 2.389 -1.483 7.178 1.00 0.00 O ATOM 403 CB SER A 28 2.564 -3.826 8.926 1.00 0.00 C ATOM 404 OG SER A 28 2.382 -3.639 10.319 1.00 0.00 O ATOM 0 H SER A 28 1.555 -3.814 6.103 1.00 0.00 H new ATOM 0 HA SER A 28 0.439 -3.552 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.787 -4.873 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.423 -3.246 8.587 1.00 0.00 H new ATOM 0 HG SER A 28 3.192 -3.918 10.795 1.00 0.00 H new ATOM 410 N VAL A 29 0.383 -1.166 8.148 1.00 0.00 N ATOM 411 CA VAL A 29 0.347 0.263 7.860 1.00 0.00 C ATOM 412 C VAL A 29 0.686 1.082 9.100 1.00 0.00 C ATOM 413 O VAL A 29 0.078 0.908 10.157 1.00 0.00 O ATOM 414 CB VAL A 29 -1.034 0.695 7.334 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.088 2.204 7.151 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.355 -0.021 6.030 1.00 0.00 C ATOM 0 H VAL A 29 -0.435 -1.516 8.646 1.00 0.00 H new ATOM 0 HA VAL A 29 1.095 0.450 7.089 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.788 0.416 8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.072 2.490 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.906 2.693 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.326 2.511 6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.335 0.296 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.599 0.225 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.361 -1.098 6.198 1.00 0.00 H new ATOM 426 N ARG A 30 1.659 1.977 8.965 1.00 0.00 N ATOM 427 CA ARG A 30 2.079 2.823 10.075 1.00 0.00 C ATOM 428 C ARG A 30 2.794 4.072 9.566 1.00 0.00 C ATOM 429 O ARG A 30 3.659 3.992 8.694 1.00 0.00 O ATOM 430 CB ARG A 30 2.998 2.045 11.018 1.00 0.00 C ATOM 431 CG ARG A 30 2.903 2.492 12.467 1.00 0.00 C ATOM 432 CD ARG A 30 3.904 3.594 12.778 1.00 0.00 C ATOM 433 NE ARG A 30 4.034 3.827 14.214 1.00 0.00 N ATOM 434 CZ ARG A 30 3.224 4.621 14.905 1.00 0.00 C ATOM 435 NH1 ARG A 30 2.232 5.255 14.295 1.00 0.00 N ATOM 436 NH2 ARG A 30 3.406 4.783 16.210 1.00 0.00 N ATOM 0 H ARG A 30 2.171 2.135 8.097 1.00 0.00 H new ATOM 0 HA ARG A 30 1.188 3.132 10.621 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.753 0.985 10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.028 2.154 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.893 2.847 12.674 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.082 1.641 13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.877 3.327 12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.592 4.516 12.288 1.00 0.00 H new ATOM 0 HE ARG A 30 4.788 3.354 14.713 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.089 5.134 13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.612 5.864 14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.168 4.298 16.683 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.783 5.393 16.740 1.00 0.00 H new ATOM 450 N ASP A 31 2.425 5.223 10.117 1.00 0.00 N ATOM 451 CA ASP A 31 3.031 6.489 9.719 1.00 0.00 C ATOM 452 C ASP A 31 2.644 6.852 8.289 1.00 0.00 C ATOM 453 O ASP A 31 3.482 7.283 7.499 1.00 0.00 O ATOM 454 CB ASP A 31 4.553 6.412 9.845 1.00 0.00 C ATOM 455 CG ASP A 31 5.196 7.781 9.945 1.00 0.00 C ATOM 456 OD1 ASP A 31 5.320 8.457 8.902 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.574 8.178 11.067 1.00 0.00 O ATOM 0 H ASP A 31 1.710 5.306 10.840 1.00 0.00 H new ATOM 0 HA ASP A 31 2.658 7.267 10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.812 5.827 10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.960 5.885 8.982 1.00 0.00 H new ATOM 462 N ASN A 32 1.368 6.672 7.963 1.00 0.00 N ATOM 463 CA ASN A 32 0.870 6.979 6.627 1.00 0.00 C ATOM 464 C ASN A 32 1.702 6.273 5.561 1.00 0.00 C ATOM 465 O ASN A 32 2.065 6.869 4.546 1.00 0.00 O ATOM 466 CB ASN A 32 0.889 8.490 6.388 1.00 0.00 C ATOM 467 CG ASN A 32 -0.141 9.222 7.227 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.206 10.020 8.098 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.415 8.951 6.969 1.00 0.00 N ATOM 0 H ASN A 32 0.660 6.315 8.605 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.157 6.620 6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.882 8.879 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.703 8.690 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.152 9.412 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.656 8.282 6.237 1.00 0.00 H new ATOM 476 N HIS A 33 2.001 5.000 5.798 1.00 0.00 N ATOM 477 CA HIS A 33 2.789 4.212 4.858 1.00 0.00 C ATOM 478 C HIS A 33 2.451 2.729 4.974 1.00 0.00 C ATOM 479 O HIS A 33 2.277 2.205 6.075 1.00 0.00 O ATOM 480 CB HIS A 33 4.283 4.426 5.107 1.00 0.00 C ATOM 481 CG HIS A 33 4.824 5.669 4.469 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.671 6.924 5.019 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.520 5.844 3.322 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.250 7.818 4.237 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.773 7.189 3.200 1.00 0.00 N ATOM 0 H HIS A 33 1.709 4.492 6.633 1.00 0.00 H new ATOM 0 HA HIS A 33 2.544 4.545 3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.461 4.472 6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.833 3.564 4.729 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.187 7.130 5.893 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.821 5.070 2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.289 8.882 4.415 1.00 0.00 H new ATOM 494 N LEU A 34 2.357 2.057 3.831 1.00 0.00 N ATOM 495 CA LEU A 34 2.038 0.634 3.804 1.00 0.00 C ATOM 496 C LEU A 34 3.308 -0.208 3.733 1.00 0.00 C ATOM 497 O LEU A 34 3.976 -0.256 2.699 1.00 0.00 O ATOM 498 CB LEU A 34 1.134 0.316 2.612 1.00 0.00 C ATOM 499 CG LEU A 34 1.036 -1.158 2.218 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.882 -2.031 3.453 1.00 0.00 C ATOM 501 CD2 LEU A 34 -0.125 -1.377 1.258 1.00 0.00 C ATOM 0 H LEU A 34 2.497 2.475 2.911 1.00 0.00 H new ATOM 0 HA LEU A 34 1.512 0.388 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.131 0.679 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.492 0.879 1.750 1.00 0.00 H new ATOM 0 HG LEU A 34 1.958 -1.442 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.814 -3.077 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.746 -1.896 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.024 -1.747 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.180 -2.432 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.056 -1.076 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.029 -0.780 0.359 1.00 0.00 H new ATOM 513 N HIS A 35 3.635 -0.872 4.837 1.00 0.00 N ATOM 514 CA HIS A 35 4.824 -1.714 4.898 1.00 0.00 C ATOM 515 C HIS A 35 4.509 -3.133 4.434 1.00 0.00 C ATOM 516 O HIS A 35 3.346 -3.530 4.364 1.00 0.00 O ATOM 517 CB HIS A 35 5.382 -1.743 6.321 1.00 0.00 C ATOM 518 CG HIS A 35 6.100 -0.487 6.709 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.444 -0.285 6.475 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.652 0.637 7.316 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.792 0.908 6.923 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.723 1.488 7.437 1.00 0.00 N ATOM 0 H HIS A 35 3.094 -0.843 5.701 1.00 0.00 H new ATOM 0 HA HIS A 35 5.574 -1.290 4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.563 -1.914 7.020 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.065 -2.587 6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.641 0.829 7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.782 1.336 6.877 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.697 2.418 7.856 1.00 0.00 H new ATOM 531 N PHE A 36 5.552 -3.893 4.118 1.00 0.00 N ATOM 532 CA PHE A 36 5.387 -5.267 3.659 1.00 0.00 C ATOM 533 C PHE A 36 6.179 -6.233 4.535 1.00 0.00 C ATOM 534 O PHE A 36 7.357 -6.010 4.814 1.00 0.00 O ATOM 535 CB PHE A 36 5.835 -5.398 2.202 1.00 0.00 C ATOM 536 CG PHE A 36 4.868 -4.801 1.221 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.737 -3.426 1.105 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.088 -5.614 0.414 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.848 -2.873 0.203 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.198 -5.067 -0.490 1.00 0.00 C ATOM 541 CZ PHE A 36 3.076 -3.695 -0.595 1.00 0.00 C ATOM 0 H PHE A 36 6.521 -3.580 4.171 1.00 0.00 H new ATOM 0 HA PHE A 36 4.330 -5.523 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.805 -4.915 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.974 -6.453 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.337 -2.779 1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.177 -6.687 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.757 -1.800 0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.598 -5.712 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.379 -3.266 -1.299 1.00 0.00 H new ATOM 551 N TYR A 37 5.523 -7.304 4.967 1.00 0.00 N ATOM 552 CA TYR A 37 6.164 -8.303 5.814 1.00 0.00 C ATOM 553 C TYR A 37 5.674 -9.706 5.469 1.00 0.00 C ATOM 554 O TYR A 37 4.659 -9.871 4.792 1.00 0.00 O ATOM 555 CB TYR A 37 5.889 -8.003 7.289 1.00 0.00 C ATOM 556 CG TYR A 37 6.366 -6.637 7.728 1.00 0.00 C ATOM 557 CD1 TYR A 37 7.660 -6.450 8.200 1.00 0.00 C ATOM 558 CD2 TYR A 37 5.524 -5.534 7.673 1.00 0.00 C ATOM 559 CE1 TYR A 37 8.100 -5.205 8.603 1.00 0.00 C ATOM 560 CE2 TYR A 37 5.956 -4.284 8.072 1.00 0.00 C ATOM 561 CZ TYR A 37 7.245 -4.124 8.537 1.00 0.00 C ATOM 562 OH TYR A 37 7.679 -2.882 8.938 1.00 0.00 O ATOM 0 H TYR A 37 4.548 -7.503 4.745 1.00 0.00 H new ATOM 0 HA TYR A 37 7.238 -8.259 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.818 -8.081 7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.374 -8.762 7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.333 -7.293 8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.513 -5.656 7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.108 -5.078 8.968 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.288 -3.437 8.020 1.00 0.00 H new ATOM 0 HH TYR A 37 6.955 -2.231 8.827 1.00 0.00 H new ATOM 572 N GLN A 38 6.402 -10.712 5.940 1.00 0.00 N ATOM 573 CA GLN A 38 6.043 -12.101 5.682 1.00 0.00 C ATOM 574 C GLN A 38 5.850 -12.866 6.988 1.00 0.00 C ATOM 575 O GLN A 38 4.766 -13.380 7.263 1.00 0.00 O ATOM 576 CB GLN A 38 7.120 -12.780 4.834 1.00 0.00 C ATOM 577 CG GLN A 38 7.146 -12.305 3.390 1.00 0.00 C ATOM 578 CD GLN A 38 7.855 -13.279 2.469 1.00 0.00 C ATOM 579 OE1 GLN A 38 7.234 -14.177 1.900 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.162 -13.105 2.316 1.00 0.00 N ATOM 0 H GLN A 38 7.244 -10.591 6.502 1.00 0.00 H new ATOM 0 HA GLN A 38 5.101 -12.110 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.095 -12.597 5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.958 -13.858 4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.124 -12.159 3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.642 -11.336 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.637 -12.347 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.692 -13.729 1.707 1.00 0.00 H new ATOM 712 N ALA A 46 8.973 -8.318 3.228 1.00 0.00 N ATOM 713 CA ALA A 46 8.627 -8.740 1.876 1.00 0.00 C ATOM 714 C ALA A 46 9.191 -7.776 0.838 1.00 0.00 C ATOM 715 O ALA A 46 9.694 -8.196 -0.203 1.00 0.00 O ATOM 716 CB ALA A 46 7.117 -8.853 1.729 1.00 0.00 C ATOM 0 HA ALA A 46 9.072 -9.720 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.873 -9.169 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.736 -9.587 2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.659 -7.884 1.928 1.00 0.00 H new ATOM 722 N GLN A 47 9.104 -6.482 1.130 1.00 0.00 N ATOM 723 CA GLN A 47 9.606 -5.459 0.221 1.00 0.00 C ATOM 724 C GLN A 47 9.498 -4.073 0.848 1.00 0.00 C ATOM 725 O GLN A 47 8.688 -3.850 1.748 1.00 0.00 O ATOM 726 CB GLN A 47 8.832 -5.496 -1.098 1.00 0.00 C ATOM 727 CG GLN A 47 7.419 -4.946 -0.991 1.00 0.00 C ATOM 728 CD GLN A 47 6.859 -4.510 -2.330 1.00 0.00 C ATOM 729 OE1 GLN A 47 7.497 -4.682 -3.369 1.00 0.00 O ATOM 730 NE2 GLN A 47 5.658 -3.943 -2.314 1.00 0.00 N ATOM 0 H GLN A 47 8.691 -6.118 1.988 1.00 0.00 H new ATOM 0 HA GLN A 47 10.658 -5.668 0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.380 -4.924 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.786 -6.525 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.769 -5.707 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.414 -4.098 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.164 -3.820 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.230 -3.631 -3.186 1.00 0.00 H new ATOM 739 N GLN A 48 10.320 -3.146 0.368 1.00 0.00 N ATOM 740 CA GLN A 48 10.318 -1.782 0.883 1.00 0.00 C ATOM 741 C GLN A 48 8.894 -1.302 1.145 1.00 0.00 C ATOM 742 O GLN A 48 7.925 -1.830 0.600 1.00 0.00 O ATOM 743 CB GLN A 48 11.014 -0.841 -0.101 1.00 0.00 C ATOM 744 CG GLN A 48 12.508 -0.704 0.140 1.00 0.00 C ATOM 745 CD GLN A 48 13.319 -1.734 -0.621 1.00 0.00 C ATOM 746 OE1 GLN A 48 12.965 -2.913 -0.661 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.414 -1.295 -1.230 1.00 0.00 N ATOM 0 H GLN A 48 10.996 -3.315 -0.377 1.00 0.00 H new ATOM 0 HA GLN A 48 10.864 -1.776 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.850 -1.204 -1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.552 0.144 -0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.829 0.295 -0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.711 -0.803 1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.670 -0.309 -1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.999 -1.943 -1.757 1.00 0.00 H new ATOM 756 N PRO A 49 8.762 -0.275 1.998 1.00 0.00 N ATOM 757 CA PRO A 49 7.461 0.299 2.351 1.00 0.00 C ATOM 758 C PRO A 49 6.827 1.057 1.189 1.00 0.00 C ATOM 759 O PRO A 49 7.489 1.352 0.193 1.00 0.00 O ATOM 760 CB PRO A 49 7.795 1.259 3.496 1.00 0.00 C ATOM 761 CG PRO A 49 9.224 1.621 3.281 1.00 0.00 C ATOM 762 CD PRO A 49 9.875 0.404 2.684 1.00 0.00 C ATOM 0 HA PRO A 49 6.736 -0.470 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.155 2.141 3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.648 0.784 4.466 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.313 2.478 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.702 1.898 4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.671 0.674 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.322 -0.230 3.450 1.00 0.00 H new ATOM 770 N LEU A 50 5.543 1.369 1.322 1.00 0.00 N ATOM 771 CA LEU A 50 4.819 2.093 0.283 1.00 0.00 C ATOM 772 C LEU A 50 4.335 3.444 0.798 1.00 0.00 C ATOM 773 O LEU A 50 3.856 3.555 1.927 1.00 0.00 O ATOM 774 CB LEU A 50 3.631 1.266 -0.210 1.00 0.00 C ATOM 775 CG LEU A 50 3.912 0.310 -1.370 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.686 -0.535 -1.674 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.349 1.085 -2.605 1.00 0.00 C ATOM 0 H LEU A 50 4.981 1.132 2.140 1.00 0.00 H new ATOM 0 HA LEU A 50 5.502 2.266 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.246 0.685 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.839 1.950 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 50 4.723 -0.357 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.905 -1.209 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.418 -1.118 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.854 0.115 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.545 0.389 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.559 1.776 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.256 1.646 -2.381 1.00 0.00 H new ATOM 789 N SER A 51 4.460 4.470 -0.039 1.00 0.00 N ATOM 790 CA SER A 51 4.036 5.815 0.332 1.00 0.00 C ATOM 791 C SER A 51 2.613 6.088 -0.148 1.00 0.00 C ATOM 792 O SER A 51 2.405 6.606 -1.246 1.00 0.00 O ATOM 793 CB SER A 51 4.993 6.854 -0.254 1.00 0.00 C ATOM 794 OG SER A 51 5.035 6.768 -1.668 1.00 0.00 O ATOM 0 H SER A 51 4.851 4.395 -0.978 1.00 0.00 H new ATOM 0 HA SER A 51 4.054 5.888 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.676 7.854 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.993 6.702 0.153 1.00 0.00 H new ATOM 0 HG SER A 51 4.125 6.663 -2.017 1.00 0.00 H new ATOM 800 N LEU A 52 1.638 5.736 0.682 1.00 0.00 N ATOM 801 CA LEU A 52 0.234 5.943 0.344 1.00 0.00 C ATOM 802 C LEU A 52 -0.069 7.426 0.156 1.00 0.00 C ATOM 803 O LEU A 52 -0.763 7.815 -0.783 1.00 0.00 O ATOM 804 CB LEU A 52 -0.665 5.362 1.437 1.00 0.00 C ATOM 805 CG LEU A 52 -0.364 3.923 1.859 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.187 3.542 3.080 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.634 2.963 0.711 1.00 0.00 C ATOM 0 H LEU A 52 1.793 5.306 1.594 1.00 0.00 H new ATOM 0 HA LEU A 52 0.033 5.428 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.592 6.001 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.698 5.410 1.093 1.00 0.00 H new ATOM 0 HG LEU A 52 0.692 3.855 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.960 2.515 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.944 4.211 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.248 3.627 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.414 1.944 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.681 3.033 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.000 3.223 -0.137 1.00 0.00 H new ATOM 819 N VAL A 53 0.459 8.251 1.055 1.00 0.00 N ATOM 820 CA VAL A 53 0.249 9.692 0.987 1.00 0.00 C ATOM 821 C VAL A 53 0.411 10.204 -0.440 1.00 0.00 C ATOM 822 O VAL A 53 1.525 10.440 -0.903 1.00 0.00 O ATOM 823 CB VAL A 53 1.228 10.446 1.905 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.008 11.948 1.802 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.080 9.975 3.344 1.00 0.00 C ATOM 0 H VAL A 53 1.035 7.946 1.839 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.771 9.879 1.324 1.00 0.00 H new ATOM 0 HB VAL A 53 2.245 10.228 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.709 12.464 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.170 12.270 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.012 12.188 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.780 10.519 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.061 10.161 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.293 8.907 3.401 1.00 0.00 H new ATOM 835 N GLY A 54 -0.712 10.374 -1.133 1.00 0.00 N ATOM 836 CA GLY A 54 -0.673 10.858 -2.501 1.00 0.00 C ATOM 837 C GLY A 54 -1.323 9.895 -3.474 1.00 0.00 C ATOM 838 O GLY A 54 -2.003 10.315 -4.412 1.00 0.00 O ATOM 0 H GLY A 54 -1.647 10.185 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.178 11.822 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.363 11.023 -2.795 1.00 0.00 H new ATOM 842 N CYS A 55 -1.114 8.602 -3.254 1.00 0.00 N ATOM 843 CA CYS A 55 -1.683 7.577 -4.122 1.00 0.00 C ATOM 844 C CYS A 55 -3.200 7.518 -3.971 1.00 0.00 C ATOM 845 O CYS A 55 -3.782 8.245 -3.167 1.00 0.00 O ATOM 846 CB CYS A 55 -1.073 6.212 -3.801 1.00 0.00 C ATOM 847 SG CYS A 55 0.727 6.228 -3.636 1.00 0.00 S ATOM 0 H CYS A 55 -0.555 8.238 -2.482 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.449 7.838 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.509 5.840 -2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.349 5.509 -4.587 1.00 0.00 H new ATOM 0 HG CYS A 55 1.047 6.409 -2.389 1.00 0.00 H new ATOM 853 N GLU A 56 -3.834 6.648 -4.751 1.00 0.00 N ATOM 854 CA GLU A 56 -5.283 6.497 -4.705 1.00 0.00 C ATOM 855 C GLU A 56 -5.679 5.025 -4.781 1.00 0.00 C ATOM 856 O GLU A 56 -5.255 4.302 -5.682 1.00 0.00 O ATOM 857 CB GLU A 56 -5.936 7.271 -5.852 1.00 0.00 C ATOM 858 CG GLU A 56 -7.419 6.985 -6.014 1.00 0.00 C ATOM 859 CD GLU A 56 -8.072 7.863 -7.064 1.00 0.00 C ATOM 860 OE1 GLU A 56 -8.070 9.099 -6.886 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.585 7.315 -8.062 1.00 0.00 O ATOM 0 H GLU A 56 -3.367 6.038 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.635 6.902 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.797 8.339 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.424 7.026 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.556 5.938 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.920 7.135 -5.058 1.00 0.00 H new ATOM 868 N VAL A 57 -6.496 4.588 -3.827 1.00 0.00 N ATOM 869 CA VAL A 57 -6.950 3.203 -3.784 1.00 0.00 C ATOM 870 C VAL A 57 -8.278 3.038 -4.515 1.00 0.00 C ATOM 871 O VAL A 57 -9.267 3.690 -4.182 1.00 0.00 O ATOM 872 CB VAL A 57 -7.110 2.709 -2.334 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.552 1.254 -2.312 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.811 2.892 -1.564 1.00 0.00 C ATOM 0 H VAL A 57 -6.857 5.173 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.187 2.604 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.882 3.305 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.660 0.922 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.508 1.156 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.805 0.639 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.941 2.538 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.018 2.321 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.542 3.948 -1.551 1.00 0.00 H new ATOM 884 N VAL A 58 -8.292 2.160 -5.513 1.00 0.00 N ATOM 885 CA VAL A 58 -9.499 1.907 -6.291 1.00 0.00 C ATOM 886 C VAL A 58 -9.827 0.419 -6.328 1.00 0.00 C ATOM 887 O VAL A 58 -8.957 -0.429 -6.526 1.00 0.00 O ATOM 888 CB VAL A 58 -9.356 2.426 -7.735 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.724 3.900 -7.811 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.942 2.194 -8.246 1.00 0.00 C ATOM 0 H VAL A 58 -7.481 1.612 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.311 2.443 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.044 1.871 -8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.617 4.249 -8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.756 4.034 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.063 4.474 -7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.858 2.566 -9.267 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.233 2.722 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.720 1.127 -8.230 1.00 0.00 H new ATOM 900 N PRO A 59 -11.113 0.092 -6.133 1.00 0.00 N ATOM 901 CA PRO A 59 -11.587 -1.296 -6.141 1.00 0.00 C ATOM 902 C PRO A 59 -11.537 -1.918 -7.532 1.00 0.00 C ATOM 903 O PRO A 59 -12.498 -1.828 -8.297 1.00 0.00 O ATOM 904 CB PRO A 59 -13.035 -1.179 -5.659 1.00 0.00 C ATOM 905 CG PRO A 59 -13.443 0.208 -6.019 1.00 0.00 C ATOM 906 CD PRO A 59 -12.204 1.051 -5.892 1.00 0.00 C ATOM 0 HA PRO A 59 -10.967 -1.942 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.674 -1.918 -6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.110 -1.347 -4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.839 0.247 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.229 0.568 -5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.194 1.863 -6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.128 1.507 -4.905 1.00 0.00 H new ATOM 914 N ASP A 60 -10.413 -2.549 -7.853 1.00 0.00 N ATOM 915 CA ASP A 60 -10.239 -3.187 -9.153 1.00 0.00 C ATOM 916 C ASP A 60 -10.306 -4.706 -9.025 1.00 0.00 C ATOM 917 O ASP A 60 -9.290 -5.401 -9.056 1.00 0.00 O ATOM 918 CB ASP A 60 -8.904 -2.773 -9.774 1.00 0.00 C ATOM 919 CG ASP A 60 -8.821 -3.115 -11.248 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.569 -2.507 -12.042 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.007 -3.990 -11.609 1.00 0.00 O ATOM 0 H ASP A 60 -9.609 -2.632 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.050 -2.859 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.764 -1.700 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.091 -3.267 -9.243 1.00 0.00 H new ATOM 926 N PRO A 61 -11.529 -5.235 -8.876 1.00 0.00 N ATOM 927 CA PRO A 61 -11.758 -6.676 -8.740 1.00 0.00 C ATOM 928 C PRO A 61 -11.481 -7.432 -10.035 1.00 0.00 C ATOM 929 O PRO A 61 -11.390 -6.833 -11.107 1.00 0.00 O ATOM 930 CB PRO A 61 -13.241 -6.768 -8.374 1.00 0.00 C ATOM 931 CG PRO A 61 -13.846 -5.526 -8.932 1.00 0.00 C ATOM 932 CD PRO A 61 -12.785 -4.466 -8.830 1.00 0.00 C ATOM 0 HA PRO A 61 -11.094 -7.125 -8.001 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.700 -7.659 -8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.380 -6.826 -7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.153 -5.673 -9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.737 -5.241 -8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.850 -3.752 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.874 -3.896 -7.905 1.00 0.00 H new ATOM 940 N SER A 62 -11.349 -8.750 -9.929 1.00 0.00 N ATOM 941 CA SER A 62 -11.080 -9.587 -11.093 1.00 0.00 C ATOM 942 C SER A 62 -12.135 -10.681 -11.231 1.00 0.00 C ATOM 943 O SER A 62 -12.918 -10.943 -10.317 1.00 0.00 O ATOM 944 CB SER A 62 -9.689 -10.215 -10.984 1.00 0.00 C ATOM 945 OG SER A 62 -8.737 -9.477 -11.731 1.00 0.00 O ATOM 0 H SER A 62 -11.424 -9.261 -9.050 1.00 0.00 H new ATOM 0 HA SER A 62 -11.118 -8.956 -11.981 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.385 -10.253 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.721 -11.243 -11.345 1.00 0.00 H new ATOM 0 HG SER A 62 -7.856 -9.897 -11.644 1.00 0.00 H new ATOM 951 N PRO A 63 -12.157 -11.336 -12.401 1.00 0.00 N ATOM 952 CA PRO A 63 -13.109 -12.413 -12.687 1.00 0.00 C ATOM 953 C PRO A 63 -12.823 -13.672 -11.876 1.00 0.00 C ATOM 954 O PRO A 63 -13.502 -14.687 -12.028 1.00 0.00 O ATOM 955 CB PRO A 63 -12.903 -12.681 -14.180 1.00 0.00 C ATOM 956 CG PRO A 63 -11.508 -12.238 -14.456 1.00 0.00 C ATOM 957 CD PRO A 63 -11.252 -11.077 -13.534 1.00 0.00 C ATOM 0 HA PRO A 63 -14.130 -12.134 -12.426 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.037 -13.737 -14.415 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.621 -12.127 -14.784 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.799 -13.045 -14.273 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.392 -11.942 -15.498 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.210 -11.039 -13.216 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.473 -10.125 -14.016 1.00 0.00 H new ATOM 965 N ASP A 64 -11.815 -13.598 -11.014 1.00 0.00 N ATOM 966 CA ASP A 64 -11.440 -14.732 -10.177 1.00 0.00 C ATOM 967 C ASP A 64 -11.497 -14.359 -8.699 1.00 0.00 C ATOM 968 O ASP A 64 -11.538 -15.230 -7.830 1.00 0.00 O ATOM 969 CB ASP A 64 -10.035 -15.217 -10.539 1.00 0.00 C ATOM 970 CG ASP A 64 -9.917 -15.612 -11.998 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.960 -15.898 -12.621 1.00 0.00 O ATOM 972 OD2 ASP A 64 -8.780 -15.636 -12.516 1.00 0.00 O ATOM 0 H ASP A 64 -11.243 -12.765 -10.876 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.152 -15.537 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.314 -14.429 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.776 -16.070 -9.912 1.00 0.00 H new ATOM 977 N HIS A 65 -11.500 -13.059 -8.422 1.00 0.00 N ATOM 978 CA HIS A 65 -11.552 -12.570 -7.049 1.00 0.00 C ATOM 979 C HIS A 65 -12.112 -11.151 -6.998 1.00 0.00 C ATOM 980 O HIS A 65 -11.427 -10.190 -7.348 1.00 0.00 O ATOM 981 CB HIS A 65 -10.159 -12.604 -6.420 1.00 0.00 C ATOM 982 CG HIS A 65 -9.700 -13.983 -6.056 1.00 0.00 C ATOM 983 ND1 HIS A 65 -10.425 -14.828 -5.243 1.00 0.00 N ATOM 984 CD2 HIS A 65 -8.581 -14.663 -6.402 1.00 0.00 C ATOM 985 CE1 HIS A 65 -9.772 -15.968 -5.103 1.00 0.00 C ATOM 986 NE2 HIS A 65 -8.650 -15.893 -5.797 1.00 0.00 N ATOM 0 H HIS A 65 -11.467 -12.325 -9.130 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.215 -13.224 -6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.444 -12.164 -7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.158 -11.982 -5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.783 -14.304 -7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.099 -16.817 -4.521 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.949 -16.630 -5.871 1.00 0.00 H new ATOM 995 N LEU A 66 -13.360 -11.029 -6.561 1.00 0.00 N ATOM 996 CA LEU A 66 -14.013 -9.727 -6.465 1.00 0.00 C ATOM 997 C LEU A 66 -13.522 -8.962 -5.240 1.00 0.00 C ATOM 998 O LEU A 66 -14.086 -7.931 -4.873 1.00 0.00 O ATOM 999 CB LEU A 66 -15.531 -9.900 -6.398 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.150 -10.811 -7.459 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.520 -11.297 -7.011 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.249 -10.085 -8.793 1.00 0.00 C ATOM 0 H LEU A 66 -13.940 -11.815 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.758 -9.153 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.789 -10.294 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.993 -8.916 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.504 -11.679 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.945 -11.944 -7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.422 -11.855 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.176 -10.441 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.692 -10.748 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.874 -9.199 -8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.253 -9.787 -9.120 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.468 -9.471 -4.613 1.00 0.00 N ATOM 1015 CA TYR A 67 -11.901 -8.836 -3.429 1.00 0.00 C ATOM 1016 C TYR A 67 -10.459 -8.407 -3.679 1.00 0.00 C ATOM 1017 O TYR A 67 -9.581 -8.626 -2.845 1.00 0.00 O ATOM 1018 CB TYR A 67 -11.962 -9.789 -2.235 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.210 -10.641 -2.203 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.446 -10.112 -2.553 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.153 -11.977 -1.824 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.589 -10.887 -2.524 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.291 -12.760 -1.794 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.507 -12.210 -2.145 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.643 -12.986 -2.117 1.00 0.00 O ATOM 0 H TYR A 67 -11.988 -10.322 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.492 -7.947 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.088 -10.440 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.905 -9.208 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.514 -9.077 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.203 -12.410 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.542 -10.459 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.229 -13.797 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.412 -13.894 -1.829 1.00 0.00 H new ATOM 1035 N SER A 68 -10.222 -7.793 -4.834 1.00 0.00 N ATOM 1036 CA SER A 68 -8.886 -7.335 -5.197 1.00 0.00 C ATOM 1037 C SER A 68 -8.893 -5.845 -5.523 1.00 0.00 C ATOM 1038 O SER A 68 -9.645 -5.389 -6.385 1.00 0.00 O ATOM 1039 CB SER A 68 -8.360 -8.128 -6.395 1.00 0.00 C ATOM 1040 OG SER A 68 -9.379 -8.333 -7.359 1.00 0.00 O ATOM 0 H SER A 68 -10.938 -7.601 -5.535 1.00 0.00 H new ATOM 0 HA SER A 68 -8.228 -7.500 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.526 -7.594 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.976 -9.090 -6.057 1.00 0.00 H new ATOM 0 HG SER A 68 -9.957 -9.070 -7.072 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.049 -5.089 -4.827 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.957 -3.650 -5.041 1.00 0.00 C ATOM 1048 C PHE A 69 -6.545 -3.251 -5.458 1.00 0.00 C ATOM 1049 O PHE A 69 -5.584 -3.982 -5.214 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.357 -2.898 -3.770 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.764 -3.478 -2.518 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.340 -4.580 -1.908 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.629 -2.921 -1.952 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.796 -5.115 -0.756 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.080 -3.451 -0.799 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.664 -4.551 -0.202 1.00 0.00 C ATOM 0 H PHE A 69 -7.419 -5.450 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.643 -3.383 -5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.047 -1.857 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.443 -2.901 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.225 -5.026 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.167 -2.062 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.256 -5.974 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.196 -3.006 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.236 -4.969 0.697 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.427 -2.088 -6.089 1.00 0.00 N ATOM 1067 CA ARG A 70 -5.133 -1.592 -6.542 1.00 0.00 C ATOM 1068 C ARG A 70 -4.971 -0.111 -6.210 1.00 0.00 C ATOM 1069 O ARG A 70 -5.952 0.588 -5.952 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.979 -1.807 -8.049 1.00 0.00 C ATOM 1071 CG ARG A 70 -6.044 -1.105 -8.876 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.629 -0.988 -10.334 1.00 0.00 C ATOM 1073 NE ARG A 70 -6.300 0.122 -11.006 1.00 0.00 N ATOM 1074 CZ ARG A 70 -6.449 0.201 -12.324 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.977 -0.760 -13.107 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -7.071 1.242 -12.861 1.00 0.00 N ATOM 0 H ARG A 70 -7.212 -1.471 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.356 -2.151 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.997 -1.451 -8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.013 -2.876 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.982 -1.656 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.227 -0.111 -8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.550 -0.849 -10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.860 -1.919 -10.853 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.675 0.878 -10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.498 -1.562 -12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.093 -0.697 -14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.435 1.983 -12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.185 1.302 -13.873 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.729 0.360 -6.218 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.440 1.756 -5.918 1.00 0.00 C ATOM 1092 C ILE A 71 -2.846 2.467 -7.130 1.00 0.00 C ATOM 1093 O ILE A 71 -2.137 1.861 -7.933 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.466 1.888 -4.732 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.769 0.824 -3.675 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.552 3.282 -4.128 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.683 0.682 -2.632 1.00 0.00 C ATOM 0 H ILE A 71 -2.907 -0.205 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.388 2.224 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.450 1.733 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.707 1.073 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.915 -0.136 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.858 3.359 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.293 4.023 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.567 3.464 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.965 -0.089 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.747 0.403 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.553 1.631 -2.111 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.140 3.757 -7.254 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.634 4.552 -8.367 1.00 0.00 C ATOM 1111 C LEU A 72 -2.193 5.933 -7.893 1.00 0.00 C ATOM 1112 O LEU A 72 -2.855 6.558 -7.064 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.706 4.691 -9.450 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.486 3.420 -9.789 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.913 3.759 -10.188 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.789 2.647 -10.900 1.00 0.00 C ATOM 0 H LEU A 72 -3.726 4.274 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.769 4.037 -8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.416 5.456 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.229 5.055 -10.360 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.520 2.790 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.452 2.842 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.410 4.269 -9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.901 4.410 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.358 1.746 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.724 3.271 -11.792 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.785 2.371 -10.577 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.071 6.406 -8.427 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.542 7.715 -8.060 1.00 0.00 C ATOM 1130 C HIS A 73 -1.041 8.790 -9.021 1.00 0.00 C ATOM 1131 O HIS A 73 -1.917 9.585 -8.680 1.00 0.00 O ATOM 1132 CB HIS A 73 0.987 7.688 -8.055 1.00 0.00 C ATOM 1133 CG HIS A 73 1.607 8.967 -7.584 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.752 9.497 -8.138 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.233 9.824 -6.604 1.00 0.00 C ATOM 1136 CE1 HIS A 73 3.058 10.624 -7.519 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.151 10.845 -6.585 1.00 0.00 N ATOM 0 H HIS A 73 -0.511 5.903 -9.115 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.896 7.955 -7.058 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.326 6.873 -7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.342 7.471 -9.063 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.373 9.723 -5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.905 11.256 -7.739 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.135 11.645 -5.952 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.476 8.811 -10.223 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.862 9.788 -11.234 1.00 0.00 C ATOM 1148 C LYS A 74 -1.376 9.095 -12.492 1.00 0.00 C ATOM 1149 O LYS A 74 -1.066 9.506 -13.610 1.00 0.00 O ATOM 1150 CB LYS A 74 0.325 10.687 -11.584 1.00 0.00 C ATOM 1151 CG LYS A 74 1.236 10.978 -10.404 1.00 0.00 C ATOM 1152 CD LYS A 74 1.900 12.339 -10.533 1.00 0.00 C ATOM 1153 CE LYS A 74 3.162 12.266 -11.379 1.00 0.00 C ATOM 1154 NZ LYS A 74 4.325 11.763 -10.597 1.00 0.00 N ATOM 0 H LYS A 74 0.252 8.162 -10.521 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.665 10.400 -10.823 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.908 10.214 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.049 11.629 -11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.659 10.940 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.001 10.204 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.201 13.045 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.147 12.720 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.989 11.612 -12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.391 13.255 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.165 11.728 -11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.506 12.401 -9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.117 10.809 -10.240 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.165 8.041 -12.302 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.710 7.309 -13.431 1.00 0.00 C ATOM 1170 C GLY A 75 -1.995 5.994 -13.669 1.00 0.00 C ATOM 1171 O GLY A 75 -2.337 5.253 -14.589 1.00 0.00 O ATOM 0 H GLY A 75 -2.436 7.681 -11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.769 7.117 -13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.639 7.925 -14.328 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.997 5.706 -12.839 1.00 0.00 N ATOM 1176 CA GLU A 76 -0.231 4.472 -12.966 1.00 0.00 C ATOM 1177 C GLU A 76 -0.576 3.498 -11.844 1.00 0.00 C ATOM 1178 O GLU A 76 -1.454 3.767 -11.024 1.00 0.00 O ATOM 1179 CB GLU A 76 1.269 4.774 -12.951 1.00 0.00 C ATOM 1180 CG GLU A 76 1.872 4.936 -14.336 1.00 0.00 C ATOM 1181 CD GLU A 76 1.943 3.628 -15.099 1.00 0.00 C ATOM 1182 OE1 GLU A 76 1.087 2.752 -14.854 1.00 0.00 O ATOM 1183 OE2 GLU A 76 2.853 3.479 -15.940 1.00 0.00 O ATOM 0 H GLU A 76 -0.701 6.310 -12.072 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.492 4.009 -13.917 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.441 5.686 -12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.788 3.969 -12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.279 5.652 -14.905 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.875 5.354 -14.245 1.00 0.00 H new ATOM 1190 N GLU A 77 0.120 2.366 -11.814 1.00 0.00 N ATOM 1191 CA GLU A 77 -0.114 1.352 -10.793 1.00 0.00 C ATOM 1192 C GLU A 77 1.055 1.284 -9.815 1.00 0.00 C ATOM 1193 O GLU A 77 2.185 0.981 -10.201 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.330 -0.017 -11.443 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.452 -1.153 -10.442 1.00 0.00 C ATOM 1196 CD GLU A 77 -0.557 -2.510 -11.109 1.00 0.00 C ATOM 1197 OE1 GLU A 77 0.497 -3.123 -11.377 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -1.694 -2.959 -11.364 1.00 0.00 O ATOM 0 H GLU A 77 0.850 2.128 -12.485 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.011 1.630 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.233 0.018 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.501 -0.225 -12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.414 -1.144 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.331 -0.990 -9.819 1.00 0.00 H new ATOM 1205 N LEU A 78 0.776 1.569 -8.548 1.00 0.00 N ATOM 1206 CA LEU A 78 1.804 1.541 -7.513 1.00 0.00 C ATOM 1207 C LEU A 78 1.859 0.175 -6.837 1.00 0.00 C ATOM 1208 O LEU A 78 2.931 -0.409 -6.682 1.00 0.00 O ATOM 1209 CB LEU A 78 1.536 2.629 -6.471 1.00 0.00 C ATOM 1210 CG LEU A 78 1.728 4.071 -6.942 1.00 0.00 C ATOM 1211 CD1 LEU A 78 3.183 4.490 -6.797 1.00 0.00 C ATOM 1212 CD2 LEU A 78 1.267 4.228 -8.383 1.00 0.00 C ATOM 0 H LEU A 78 -0.153 1.822 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 78 2.767 1.730 -7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.512 2.518 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.192 2.456 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 78 1.119 4.722 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.301 5.519 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.480 4.417 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.812 3.835 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.411 5.261 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.848 3.566 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.211 3.970 -8.457 1.00 0.00 H new ATOM 1224 N ALA A 79 0.695 -0.329 -6.438 1.00 0.00 N ATOM 1225 CA ALA A 79 0.611 -1.628 -5.782 1.00 0.00 C ATOM 1226 C ALA A 79 -0.748 -2.277 -6.024 1.00 0.00 C ATOM 1227 O ALA A 79 -1.721 -1.600 -6.357 1.00 0.00 O ATOM 1228 CB ALA A 79 0.871 -1.484 -4.290 1.00 0.00 C ATOM 0 H ALA A 79 -0.202 0.142 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 79 1.376 -2.275 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.805 -2.462 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.867 -1.070 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.128 -0.817 -3.854 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.808 -3.593 -5.854 1.00 0.00 N ATOM 1235 CA LYS A 80 -2.047 -4.335 -6.053 1.00 0.00 C ATOM 1236 C LYS A 80 -2.214 -5.412 -4.985 1.00 0.00 C ATOM 1237 O LYS A 80 -1.499 -6.415 -4.984 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.066 -4.973 -7.443 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.428 -5.511 -7.848 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.631 -5.442 -9.352 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.876 -6.202 -9.782 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.137 -6.058 -11.241 1.00 0.00 N ATOM 0 H LYS A 80 -0.012 -4.168 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.878 -3.634 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.744 -4.234 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.341 -5.786 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.526 -6.544 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.209 -4.939 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.714 -4.400 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.758 -5.856 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.760 -7.258 -9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.736 -5.837 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.994 -6.590 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.273 -5.053 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.327 -6.430 -11.777 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.162 -5.200 -4.080 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.424 -6.154 -3.008 1.00 0.00 C ATOM 1258 C LEU A 81 -4.720 -6.918 -3.263 1.00 0.00 C ATOM 1259 O LEU A 81 -5.514 -6.541 -4.124 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.502 -5.430 -1.662 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.282 -4.592 -1.279 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.004 -5.254 -1.772 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.405 -3.183 -1.839 1.00 0.00 C ATOM 0 H LEU A 81 -3.763 -4.376 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.602 -6.869 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.376 -4.779 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.667 -6.173 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.237 -4.526 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.146 -4.644 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.909 -6.242 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.040 -5.351 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.528 -2.601 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.476 -3.228 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.300 -2.708 -1.437 1.00 0.00 H new ATOM 1275 N GLU A 82 -4.926 -7.992 -2.507 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.126 -8.807 -2.651 1.00 0.00 C ATOM 1277 C GLU A 82 -6.566 -9.371 -1.303 1.00 0.00 C ATOM 1278 O GLU A 82 -5.797 -10.045 -0.619 1.00 0.00 O ATOM 1279 CB GLU A 82 -5.877 -9.951 -3.637 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.698 -11.196 -3.345 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.440 -12.311 -4.340 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.886 -12.185 -5.500 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -5.794 -13.309 -3.959 1.00 0.00 O ATOM 0 H GLU A 82 -4.278 -8.317 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.922 -8.170 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.103 -9.606 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.819 -10.211 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.469 -11.551 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.757 -10.940 -3.359 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.810 -9.088 -0.928 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.353 -9.567 0.337 1.00 0.00 C ATOM 1292 C ALA A 83 -8.882 -10.991 0.203 1.00 0.00 C ATOM 1293 O ALA A 83 -8.736 -11.623 -0.844 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.455 -8.637 0.823 1.00 0.00 C ATOM 0 H ALA A 83 -8.460 -8.530 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.547 -9.574 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.852 -9.006 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.049 -7.636 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.254 -8.602 0.083 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.495 -11.493 1.270 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.046 -12.843 1.272 1.00 0.00 C ATOM 1302 C LYS A 84 -11.567 -12.810 1.175 1.00 0.00 C ATOM 1303 O LYS A 84 -12.182 -13.710 0.603 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.622 -13.586 2.541 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.118 -12.937 3.821 1.00 0.00 C ATOM 1306 CD LYS A 84 -9.327 -13.409 5.030 1.00 0.00 C ATOM 1307 CE LYS A 84 -9.893 -14.703 5.594 1.00 0.00 C ATOM 1308 NZ LYS A 84 -9.301 -15.901 4.936 1.00 0.00 N ATOM 0 H LYS A 84 -9.623 -10.985 2.145 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.655 -13.369 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.995 -14.609 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.534 -13.644 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.039 -11.853 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.173 -13.170 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.285 -13.558 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.342 -12.638 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.702 -14.746 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.975 -14.714 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.298 -16.698 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.865 -16.152 4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.325 -15.690 4.645 1.00 0.00 H new ATOM 1322 N SER A 85 -12.169 -11.765 1.734 1.00 0.00 N ATOM 1323 CA SER A 85 -13.620 -11.616 1.711 1.00 0.00 C ATOM 1324 C SER A 85 -14.014 -10.197 1.313 1.00 0.00 C ATOM 1325 O SER A 85 -13.277 -9.243 1.562 1.00 0.00 O ATOM 1326 CB SER A 85 -14.210 -11.955 3.082 1.00 0.00 C ATOM 1327 OG SER A 85 -15.504 -11.398 3.232 1.00 0.00 O ATOM 0 H SER A 85 -11.675 -11.009 2.208 1.00 0.00 H new ATOM 0 HA SER A 85 -14.020 -12.307 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.260 -13.037 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.555 -11.577 3.867 1.00 0.00 H new ATOM 0 HG SER A 85 -15.860 -11.630 4.115 1.00 0.00 H new ATOM 1333 N SER A 86 -15.182 -10.067 0.691 1.00 0.00 N ATOM 1334 CA SER A 86 -15.674 -8.766 0.253 1.00 0.00 C ATOM 1335 C SER A 86 -15.616 -7.752 1.392 1.00 0.00 C ATOM 1336 O SER A 86 -15.217 -6.604 1.196 1.00 0.00 O ATOM 1337 CB SER A 86 -17.108 -8.887 -0.264 1.00 0.00 C ATOM 1338 OG SER A 86 -17.730 -7.616 -0.347 1.00 0.00 O ATOM 0 H SER A 86 -15.805 -10.847 0.479 1.00 0.00 H new ATOM 0 HA SER A 86 -15.032 -8.416 -0.556 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.105 -9.359 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.683 -9.534 0.398 1.00 0.00 H new ATOM 0 HG SER A 86 -18.645 -7.721 -0.682 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.017 -8.186 2.583 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.012 -7.316 3.753 1.00 0.00 C ATOM 1346 C GLU A 87 -14.593 -6.867 4.092 1.00 0.00 C ATOM 1347 O GLU A 87 -14.379 -5.745 4.549 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.631 -8.035 4.954 1.00 0.00 C ATOM 1349 CG GLU A 87 -17.264 -7.095 5.967 1.00 0.00 C ATOM 1350 CD GLU A 87 -17.497 -7.758 7.310 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -16.586 -8.465 7.789 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -18.591 -7.571 7.883 1.00 0.00 O ATOM 0 H GLU A 87 -16.349 -9.134 2.763 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.608 -6.434 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -17.387 -8.734 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.860 -8.625 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.621 -6.225 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.214 -6.731 5.576 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.629 -7.753 3.864 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.231 -7.449 4.146 1.00 0.00 C ATOM 1361 C GLU A 88 -11.719 -6.343 3.228 1.00 0.00 C ATOM 1362 O GLU A 88 -11.160 -5.348 3.689 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.370 -8.703 3.982 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.070 -8.656 4.768 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.599 -10.032 5.198 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.282 -10.660 6.033 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.546 -10.480 4.698 1.00 0.00 O ATOM 0 H GLU A 88 -13.790 -8.686 3.485 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.162 -7.102 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.945 -9.573 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.141 -8.841 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.298 -8.186 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.205 -8.030 5.650 1.00 0.00 H new ATOM 1374 N MET A 89 -11.913 -6.526 1.926 1.00 0.00 N ATOM 1375 CA MET A 89 -11.471 -5.544 0.942 1.00 0.00 C ATOM 1376 C MET A 89 -12.100 -4.182 1.214 1.00 0.00 C ATOM 1377 O MET A 89 -11.499 -3.144 0.942 1.00 0.00 O ATOM 1378 CB MET A 89 -11.827 -6.010 -0.471 1.00 0.00 C ATOM 1379 CG MET A 89 -13.318 -5.977 -0.764 1.00 0.00 C ATOM 1380 SD MET A 89 -13.676 -5.781 -2.521 1.00 0.00 S ATOM 1381 CE MET A 89 -12.940 -4.180 -2.840 1.00 0.00 C ATOM 0 H MET A 89 -12.373 -7.345 1.528 1.00 0.00 H new ATOM 0 HA MET A 89 -10.388 -5.448 1.023 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.309 -5.380 -1.194 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.460 -7.026 -0.613 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.776 -6.899 -0.404 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.775 -5.157 -0.210 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.646 -3.558 -3.390 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.693 -3.698 -1.894 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.032 -4.308 -3.430 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.316 -4.193 1.753 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.006 -2.952 2.052 1.00 0.00 C ATOM 1393 C GLY A 90 -13.427 -2.243 3.261 1.00 0.00 C ATOM 1394 O GLY A 90 -13.561 -1.027 3.399 1.00 0.00 O ATOM 0 H GLY A 90 -13.835 -5.039 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.951 -2.292 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.061 -3.160 2.228 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.783 -3.005 4.139 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.182 -2.442 5.343 1.00 0.00 C ATOM 1400 C HIS A 91 -10.836 -1.797 5.028 1.00 0.00 C ATOM 1401 O HIS A 91 -10.425 -0.842 5.687 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.005 -3.527 6.405 1.00 0.00 C ATOM 1403 CG HIS A 91 -10.936 -3.216 7.407 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.175 -2.508 8.567 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.618 -3.522 7.419 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.049 -2.391 9.248 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.089 -2.998 8.573 1.00 0.00 N ATOM 0 H HIS A 91 -12.664 -4.013 4.040 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.852 -1.673 5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.951 -3.670 6.928 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.767 -4.470 5.913 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.082 -4.075 6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.933 -1.885 10.195 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.113 -3.066 8.862 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.154 -2.326 4.019 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.853 -1.802 3.617 1.00 0.00 C ATOM 1418 C TRP A 92 -9.012 -0.598 2.695 1.00 0.00 C ATOM 1419 O TRP A 92 -8.376 0.438 2.893 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.035 -2.890 2.920 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.426 -3.876 3.871 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.959 -5.071 4.264 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.171 -3.751 4.548 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.110 -5.696 5.146 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -6.006 -4.907 5.336 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.170 -2.776 4.565 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.881 -5.111 6.130 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.055 -2.980 5.354 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.917 -4.141 6.128 1.00 0.00 C ATOM 0 H TRP A 92 -10.480 -3.117 3.464 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.325 -1.481 4.515 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.676 -3.422 2.217 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.242 -2.421 2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.907 -5.466 3.931 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.275 -6.601 5.588 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.267 -1.879 3.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.773 -6.004 6.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.276 -2.232 5.375 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.033 -4.272 6.734 1.00 0.00 H new ATOM 1440 N LEU A 93 -9.864 -0.741 1.685 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.107 0.336 0.731 1.00 0.00 C ATOM 1442 C LEU A 93 -10.086 1.694 1.425 1.00 0.00 C ATOM 1443 O LEU A 93 -9.234 2.535 1.140 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.451 0.130 0.031 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.444 -0.818 -1.170 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.829 -0.900 -1.793 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.419 -0.366 -2.200 1.00 0.00 C ATOM 0 H LEU A 93 -10.398 -1.592 1.506 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.310 0.316 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.165 -0.248 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.818 1.101 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.165 -1.813 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.805 -1.579 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.539 -1.271 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.137 0.091 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.428 -1.052 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.667 0.638 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.427 -0.360 -1.748 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.028 1.900 2.341 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.098 3.156 3.063 1.00 0.00 C ATOM 1461 C GLY A 94 -9.874 3.400 3.923 1.00 0.00 C ATOM 1462 O GLY A 94 -9.407 4.533 4.045 1.00 0.00 O ATOM 0 H GLY A 94 -11.744 1.219 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.207 3.975 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.987 3.160 3.693 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.352 2.335 4.522 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.175 2.438 5.377 1.00 0.00 C ATOM 1468 C LEU A 95 -7.010 3.076 4.626 1.00 0.00 C ATOM 1469 O LEU A 95 -6.380 4.013 5.116 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.770 1.055 5.890 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.367 0.945 6.487 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.382 1.320 7.961 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.816 -0.461 6.298 1.00 0.00 C ATOM 0 H LEU A 95 -9.726 1.390 4.431 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.428 3.074 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.490 0.745 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.849 0.346 5.066 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.715 1.643 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.374 1.236 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.733 2.346 8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.049 0.648 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.817 -0.521 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.469 -1.178 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.767 -0.693 5.234 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.732 2.562 3.433 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.644 3.083 2.611 1.00 0.00 C ATOM 1487 C LEU A 96 -5.980 4.472 2.079 1.00 0.00 C ATOM 1488 O LEU A 96 -5.141 5.373 2.092 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.359 2.133 1.446 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.748 0.781 1.817 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.045 -0.252 0.741 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.248 0.914 2.031 1.00 0.00 C ATOM 0 H LEU A 96 -7.244 1.786 3.013 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.754 3.159 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.293 1.953 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.686 2.635 0.750 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.199 0.444 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.603 -1.208 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.124 -0.368 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.622 0.079 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.830 -0.058 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.780 1.274 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.057 1.622 2.838 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.213 4.639 1.613 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.661 5.919 1.077 1.00 0.00 C ATOM 1506 C LEU A 97 -7.340 7.056 2.043 1.00 0.00 C ATOM 1507 O LEU A 97 -6.746 8.062 1.658 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.165 5.880 0.801 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.593 5.169 -0.484 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.087 4.885 -0.465 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.221 6.001 -1.703 1.00 0.00 C ATOM 0 H LEU A 97 -7.920 3.904 1.596 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.130 6.099 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.656 5.393 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.535 6.905 0.766 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.064 4.218 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.373 4.379 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.326 4.249 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.635 5.824 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.533 5.480 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.722 6.968 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.142 6.152 -1.725 1.00 0.00 H new ATOM 1523 N SER A 98 -7.736 6.886 3.301 1.00 0.00 N ATOM 1524 CA SER A 98 -7.491 7.898 4.322 1.00 0.00 C ATOM 1525 C SER A 98 -6.004 8.222 4.420 1.00 0.00 C ATOM 1526 O SER A 98 -5.608 9.386 4.373 1.00 0.00 O ATOM 1527 CB SER A 98 -8.011 7.420 5.679 1.00 0.00 C ATOM 1528 OG SER A 98 -7.376 6.216 6.073 1.00 0.00 O ATOM 0 H SER A 98 -8.227 6.058 3.637 1.00 0.00 H new ATOM 0 HA SER A 98 -8.024 8.804 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.836 8.190 6.431 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.089 7.266 5.625 1.00 0.00 H new ATOM 0 HG SER A 98 -7.258 5.637 5.291 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.186 7.184 4.558 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.742 7.358 4.664 1.00 0.00 C ATOM 1536 C GLU A 99 -3.186 8.055 3.426 1.00 0.00 C ATOM 1537 O GLU A 99 -2.300 8.904 3.524 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.055 6.004 4.852 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.516 5.254 6.091 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.458 6.105 7.344 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.323 6.991 7.501 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.545 5.885 8.168 1.00 0.00 O ATOM 0 H GLU A 99 -5.498 6.214 4.599 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.540 7.983 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.241 5.386 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.978 6.158 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.538 4.905 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.894 4.370 6.228 1.00 0.00 H new ATOM 1549 N SER A 100 -3.712 7.689 2.262 1.00 0.00 N ATOM 1550 CA SER A 100 -3.266 8.276 1.003 1.00 0.00 C ATOM 1551 C SER A 100 -3.931 9.629 0.768 1.00 0.00 C ATOM 1552 O SER A 100 -4.442 9.902 -0.317 1.00 0.00 O ATOM 1553 CB SER A 100 -3.575 7.333 -0.161 1.00 0.00 C ATOM 1554 OG SER A 100 -4.973 7.153 -0.314 1.00 0.00 O ATOM 0 H SER A 100 -4.447 6.989 2.164 1.00 0.00 H new ATOM 0 HA SER A 100 -2.188 8.427 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.154 7.737 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.098 6.368 0.012 1.00 0.00 H new ATOM 0 HG SER A 100 -5.440 7.555 0.448 1.00 0.00 H new