USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 438 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 18 GLN : amide:sc= -3.77! C(o=-6!,f=-8.5!) USER MOD Set 1.2: A 37 GLN : amide:sc= -2.19! C(o=-6!,f=-11!) USER MOD Set 2.1: A 31 MET CE :methyl -169:sc= -1.52 (180deg=-2.21) USER MOD Set 2.2: A 39 CYS SG : rot -160:sc= -0.514 USER MOD Set 3.1: A 29 SER OG : rot 80:sc= -2.77! USER MOD Set 3.2: A 58 LYS NZ :NH3+ -164:sc= 0.138 (180deg=-0.0611) USER MOD Set 4.1: A 28 GLN : amide:sc= -1.89! C(o=-5.2!,f=-5.7!) USER MOD Set 4.2: A 47 TYR OH : rot 95:sc= -3.32! USER MOD Single : A 15 SER OG : rot 180:sc= -1.37 USER MOD Single : A 19 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.9!) USER MOD Single : A 21 MET CE :methyl 151:sc= -2.96! (180deg=-4.07!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 26 SER OG : rot -67:sc= 0.502 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.91! C(o=-2.9!,f=-5.3!) USER MOD Single : A 36 SER OG : rot 93:sc= -1.74! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -3.05! C(o=-3.1!,f=-7.4!) USER MOD Single : A 44 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.56) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -167:sc= -0.441 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -75:sc= 0.29 USER MOD Single : A 56 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-2.5) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.179) USER MOD Single : A 69 MET CE :methyl -148:sc=-0.00995 (180deg=-0.0322) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 15.807 1.079 1.446 1.00 0.00 N ATOM 161 CA LEU A 14 14.715 1.910 1.938 1.00 0.00 C ATOM 162 C LEU A 14 15.241 3.010 2.860 1.00 0.00 C ATOM 163 O LEU A 14 16.412 3.382 2.798 1.00 0.00 O ATOM 164 CB LEU A 14 13.681 1.047 2.670 1.00 0.00 C ATOM 165 CG LEU A 14 12.232 1.186 2.181 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.296 0.400 3.076 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.800 2.644 2.097 1.00 0.00 C ATOM 0 HA LEU A 14 14.234 2.385 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.977 0.002 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.713 1.296 3.731 1.00 0.00 H new ATOM 0 HG LEU A 14 12.182 0.775 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.273 0.508 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.577 -0.653 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.364 0.779 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.769 2.698 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.873 3.103 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.448 3.176 1.400 1.00 0.00 H new ATOM 179 N SER A 15 14.356 3.535 3.699 1.00 0.00 N ATOM 180 CA SER A 15 14.695 4.607 4.625 1.00 0.00 C ATOM 181 C SER A 15 13.422 5.081 5.319 1.00 0.00 C ATOM 182 O SER A 15 12.380 4.454 5.173 1.00 0.00 O ATOM 183 CB SER A 15 15.360 5.754 3.857 1.00 0.00 C ATOM 184 OG SER A 15 16.534 6.196 4.516 1.00 0.00 O ATOM 0 H SER A 15 13.384 3.230 3.756 1.00 0.00 H new ATOM 0 HA SER A 15 15.396 4.249 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.608 5.425 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.660 6.584 3.759 1.00 0.00 H new ATOM 0 HG SER A 15 16.940 6.927 4.005 1.00 0.00 H new ATOM 190 N PRO A 16 13.468 6.186 6.080 1.00 0.00 N ATOM 191 CA PRO A 16 12.278 6.704 6.763 1.00 0.00 C ATOM 192 C PRO A 16 11.073 6.781 5.823 1.00 0.00 C ATOM 193 O PRO A 16 9.927 6.737 6.265 1.00 0.00 O ATOM 194 CB PRO A 16 12.716 8.098 7.210 1.00 0.00 C ATOM 195 CG PRO A 16 14.191 7.981 7.388 1.00 0.00 C ATOM 196 CD PRO A 16 14.659 7.014 6.340 1.00 0.00 C ATOM 0 HA PRO A 16 11.953 6.067 7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.464 8.852 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.225 8.391 8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.676 8.950 7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.436 7.622 8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.994 7.529 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.496 6.413 6.694 1.00 0.00 H new ATOM 204 N GLU A 17 11.351 6.873 4.522 1.00 0.00 N ATOM 205 CA GLU A 17 10.325 6.934 3.487 1.00 0.00 C ATOM 206 C GLU A 17 9.200 5.954 3.773 1.00 0.00 C ATOM 207 O GLU A 17 8.020 6.272 3.646 1.00 0.00 O ATOM 208 CB GLU A 17 11.014 6.614 2.133 1.00 0.00 C ATOM 209 CG GLU A 17 10.323 5.597 1.192 1.00 0.00 C ATOM 210 CD GLU A 17 10.176 6.130 -0.220 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.445 7.126 -0.404 1.00 0.00 O ATOM 212 OE2 GLU A 17 10.790 5.552 -1.140 1.00 0.00 O ATOM 0 H GLU A 17 12.303 6.907 4.157 1.00 0.00 H new ATOM 0 HA GLU A 17 9.873 7.926 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.129 7.550 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.017 6.244 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.901 4.673 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.339 5.348 1.589 1.00 0.00 H new ATOM 219 N GLN A 18 9.604 4.749 4.093 1.00 0.00 N ATOM 220 CA GLN A 18 8.691 3.657 4.333 1.00 0.00 C ATOM 221 C GLN A 18 7.594 3.986 5.315 1.00 0.00 C ATOM 222 O GLN A 18 6.443 3.643 5.098 1.00 0.00 O ATOM 223 CB GLN A 18 9.455 2.449 4.843 1.00 0.00 C ATOM 224 CG GLN A 18 8.617 1.197 4.869 1.00 0.00 C ATOM 225 CD GLN A 18 9.008 0.250 5.988 1.00 0.00 C ATOM 226 OE1 GLN A 18 10.041 -0.416 5.919 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.184 0.189 7.027 1.00 0.00 N ATOM 0 H GLN A 18 10.587 4.496 4.195 1.00 0.00 H new ATOM 0 HA GLN A 18 8.214 3.449 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.328 2.284 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.823 2.655 5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.568 1.470 4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.712 0.682 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.339 0.759 7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.396 -0.428 7.811 1.00 0.00 H new ATOM 236 N GLN A 19 7.957 4.606 6.409 1.00 0.00 N ATOM 237 CA GLN A 19 6.977 4.931 7.436 1.00 0.00 C ATOM 238 C GLN A 19 6.239 6.212 7.103 1.00 0.00 C ATOM 239 O GLN A 19 5.096 6.404 7.518 1.00 0.00 O ATOM 240 CB GLN A 19 7.646 5.041 8.807 1.00 0.00 C ATOM 241 CG GLN A 19 7.278 3.912 9.756 1.00 0.00 C ATOM 242 CD GLN A 19 8.309 2.800 9.766 1.00 0.00 C ATOM 243 OE1 GLN A 19 9.259 2.811 8.983 1.00 0.00 O ATOM 244 NE2 GLN A 19 8.126 1.832 10.656 1.00 0.00 N ATOM 0 H GLN A 19 8.912 4.897 6.619 1.00 0.00 H new ATOM 0 HA GLN A 19 6.249 4.120 7.469 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.728 5.055 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.369 5.992 9.262 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.169 4.311 10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.310 3.502 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.324 1.863 11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.787 1.057 10.710 1.00 0.00 H new ATOM 253 N GLU A 20 6.880 7.076 6.338 1.00 0.00 N ATOM 254 CA GLU A 20 6.254 8.319 5.943 1.00 0.00 C ATOM 255 C GLU A 20 5.064 8.018 5.050 1.00 0.00 C ATOM 256 O GLU A 20 4.089 8.769 5.020 1.00 0.00 O ATOM 257 CB GLU A 20 7.252 9.220 5.214 1.00 0.00 C ATOM 258 CG GLU A 20 8.022 10.150 6.138 1.00 0.00 C ATOM 259 CD GLU A 20 9.115 9.434 6.906 1.00 0.00 C ATOM 260 OE1 GLU A 20 10.250 9.356 6.388 1.00 0.00 O ATOM 261 OE2 GLU A 20 8.838 8.951 8.024 1.00 0.00 O ATOM 0 H GLU A 20 7.826 6.940 5.981 1.00 0.00 H new ATOM 0 HA GLU A 20 5.915 8.846 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.960 8.596 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.717 9.817 4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.463 10.956 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.330 10.611 6.843 1.00 0.00 H new ATOM 268 N MET A 21 5.157 6.916 4.306 1.00 0.00 N ATOM 269 CA MET A 21 4.104 6.524 3.400 1.00 0.00 C ATOM 270 C MET A 21 3.184 5.476 3.996 1.00 0.00 C ATOM 271 O MET A 21 2.002 5.724 4.160 1.00 0.00 O ATOM 272 CB MET A 21 4.759 5.979 2.159 1.00 0.00 C ATOM 273 CG MET A 21 5.742 6.952 1.547 1.00 0.00 C ATOM 274 SD MET A 21 5.085 8.614 1.294 1.00 0.00 S ATOM 275 CE MET A 21 5.822 9.034 -0.283 1.00 0.00 C ATOM 0 H MET A 21 5.958 6.284 4.321 1.00 0.00 H new ATOM 0 HA MET A 21 3.483 7.393 3.182 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.276 5.051 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.991 5.733 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.620 7.015 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.077 6.557 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.172 9.730 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.794 9.499 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.949 8.129 -0.878 1.00 0.00 H new ATOM 285 N LEU A 22 3.740 4.300 4.281 1.00 0.00 N ATOM 286 CA LEU A 22 2.982 3.165 4.830 1.00 0.00 C ATOM 287 C LEU A 22 1.804 3.590 5.700 1.00 0.00 C ATOM 288 O LEU A 22 0.675 3.166 5.468 1.00 0.00 O ATOM 289 CB LEU A 22 3.896 2.255 5.652 1.00 0.00 C ATOM 290 CG LEU A 22 4.506 1.090 4.879 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.341 0.215 5.799 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.411 0.275 4.212 1.00 0.00 C ATOM 0 H LEU A 22 4.730 4.102 4.139 1.00 0.00 H new ATOM 0 HA LEU A 22 2.583 2.631 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.703 2.857 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.327 1.857 6.492 1.00 0.00 H new ATOM 0 HG LEU A 22 5.162 1.490 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.767 -0.610 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.145 0.808 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.711 -0.182 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.858 -0.554 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.734 -0.116 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.854 0.909 3.522 1.00 0.00 H new ATOM 304 N GLN A 23 2.069 4.410 6.710 1.00 0.00 N ATOM 305 CA GLN A 23 1.009 4.857 7.605 1.00 0.00 C ATOM 306 C GLN A 23 -0.068 5.610 6.838 1.00 0.00 C ATOM 307 O GLN A 23 -1.257 5.332 6.988 1.00 0.00 O ATOM 308 CB GLN A 23 1.568 5.749 8.712 1.00 0.00 C ATOM 309 CG GLN A 23 0.491 6.331 9.615 1.00 0.00 C ATOM 310 CD GLN A 23 0.669 7.817 9.852 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.786 8.296 10.054 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.433 8.557 9.830 1.00 0.00 N ATOM 0 H GLN A 23 2.996 4.775 6.928 1.00 0.00 H new ATOM 0 HA GLN A 23 0.566 3.970 8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.267 5.171 9.317 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.135 6.564 8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.487 6.153 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.504 5.810 10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.338 8.119 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.375 9.564 9.984 1.00 0.00 H new ATOM 321 N ALA A 24 0.352 6.566 6.022 1.00 0.00 N ATOM 322 CA ALA A 24 -0.586 7.358 5.244 1.00 0.00 C ATOM 323 C ALA A 24 -1.031 6.627 3.975 1.00 0.00 C ATOM 324 O ALA A 24 -1.830 7.150 3.203 1.00 0.00 O ATOM 325 CB ALA A 24 0.037 8.701 4.903 1.00 0.00 C ATOM 0 H ALA A 24 1.332 6.810 5.883 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.478 7.520 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.669 9.292 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.282 9.232 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.945 8.544 4.322 1.00 0.00 H new ATOM 331 N PHE A 25 -0.523 5.411 3.768 1.00 0.00 N ATOM 332 CA PHE A 25 -0.881 4.624 2.602 1.00 0.00 C ATOM 333 C PHE A 25 -1.940 3.592 2.962 1.00 0.00 C ATOM 334 O PHE A 25 -2.710 3.157 2.113 1.00 0.00 O ATOM 335 CB PHE A 25 0.356 3.927 2.034 1.00 0.00 C ATOM 336 CG PHE A 25 0.086 3.135 0.783 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.695 1.989 0.819 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.620 3.535 -0.430 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.934 1.261 -0.331 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.381 2.810 -1.579 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.395 1.673 -1.528 1.00 0.00 C ATOM 0 H PHE A 25 0.138 4.955 4.397 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.288 5.294 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.118 4.677 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.767 3.261 2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.121 1.662 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.231 4.425 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.543 0.370 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.803 3.134 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.580 1.105 -2.428 1.00 0.00 H new ATOM 351 N SER A 26 -1.978 3.207 4.232 1.00 0.00 N ATOM 352 CA SER A 26 -2.952 2.232 4.699 1.00 0.00 C ATOM 353 C SER A 26 -4.353 2.816 4.603 1.00 0.00 C ATOM 354 O SER A 26 -5.296 2.140 4.193 1.00 0.00 O ATOM 355 CB SER A 26 -2.650 1.827 6.143 1.00 0.00 C ATOM 356 OG SER A 26 -2.904 2.896 7.038 1.00 0.00 O ATOM 0 H SER A 26 -1.347 3.555 4.954 1.00 0.00 H new ATOM 0 HA SER A 26 -2.891 1.344 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.260 0.966 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.608 1.519 6.227 1.00 0.00 H new ATOM 0 HG SER A 26 -2.260 3.617 6.878 1.00 0.00 H new ATOM 362 N THR A 27 -4.475 4.084 4.981 1.00 0.00 N ATOM 363 CA THR A 27 -5.757 4.775 4.937 1.00 0.00 C ATOM 364 C THR A 27 -6.292 4.872 3.507 1.00 0.00 C ATOM 365 O THR A 27 -7.465 5.184 3.301 1.00 0.00 O ATOM 366 CB THR A 27 -5.623 6.175 5.537 1.00 0.00 C ATOM 367 OG1 THR A 27 -4.641 6.926 4.843 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.243 6.166 7.002 1.00 0.00 C ATOM 0 H THR A 27 -3.701 4.654 5.321 1.00 0.00 H new ATOM 0 HA THR A 27 -6.467 4.195 5.526 1.00 0.00 H new ATOM 0 HB THR A 27 -6.610 6.627 5.438 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.571 7.819 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.165 7.191 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.006 5.637 7.573 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.284 5.663 7.126 1.00 0.00 H new ATOM 376 N GLN A 28 -5.436 4.608 2.517 1.00 0.00 N ATOM 377 CA GLN A 28 -5.852 4.677 1.116 1.00 0.00 C ATOM 378 C GLN A 28 -7.148 3.903 0.898 1.00 0.00 C ATOM 379 O GLN A 28 -8.236 4.461 1.043 1.00 0.00 O ATOM 380 CB GLN A 28 -4.759 4.132 0.184 1.00 0.00 C ATOM 381 CG GLN A 28 -3.672 5.129 -0.243 1.00 0.00 C ATOM 382 CD GLN A 28 -3.978 6.588 0.068 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.994 7.129 -0.369 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.092 7.234 0.814 1.00 0.00 N ATOM 0 H GLN A 28 -4.460 4.347 2.658 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.021 5.727 0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.276 3.290 0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.238 3.742 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.738 4.857 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.509 5.028 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.263 6.748 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.240 8.216 1.045 1.00 0.00 H new ATOM 393 N SER A 29 -7.044 2.617 0.561 1.00 0.00 N ATOM 394 CA SER A 29 -8.235 1.816 0.350 1.00 0.00 C ATOM 395 C SER A 29 -8.625 1.076 1.629 1.00 0.00 C ATOM 396 O SER A 29 -9.422 0.138 1.594 1.00 0.00 O ATOM 397 CB SER A 29 -8.058 0.827 -0.799 1.00 0.00 C ATOM 398 OG SER A 29 -9.259 0.698 -1.539 1.00 0.00 O ATOM 0 H SER A 29 -6.162 2.121 0.432 1.00 0.00 H new ATOM 0 HA SER A 29 -9.039 2.500 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.255 1.164 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.761 -0.145 -0.406 1.00 0.00 H new ATOM 0 HG SER A 29 -9.346 1.454 -2.156 1.00 0.00 H new ATOM 404 N GLY A 30 -8.060 1.505 2.758 1.00 0.00 N ATOM 405 CA GLY A 30 -8.362 0.875 4.028 1.00 0.00 C ATOM 406 C GLY A 30 -7.384 -0.227 4.397 1.00 0.00 C ATOM 407 O GLY A 30 -7.607 -0.950 5.365 1.00 0.00 O ATOM 0 H GLY A 30 -7.398 2.279 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.358 1.632 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.369 0.460 3.990 1.00 0.00 H new ATOM 411 N MET A 31 -6.305 -0.361 3.628 1.00 0.00 N ATOM 412 CA MET A 31 -5.302 -1.397 3.886 1.00 0.00 C ATOM 413 C MET A 31 -4.831 -1.397 5.334 1.00 0.00 C ATOM 414 O MET A 31 -5.339 -0.648 6.170 1.00 0.00 O ATOM 415 CB MET A 31 -4.095 -1.208 2.975 1.00 0.00 C ATOM 416 CG MET A 31 -4.132 -2.081 1.740 1.00 0.00 C ATOM 417 SD MET A 31 -3.694 -3.795 2.077 1.00 0.00 S ATOM 418 CE MET A 31 -2.468 -4.080 0.801 1.00 0.00 C ATOM 0 H MET A 31 -6.102 0.232 2.823 1.00 0.00 H new ATOM 0 HA MET A 31 -5.782 -2.354 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.039 -0.163 2.671 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.187 -1.425 3.537 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.131 -2.046 1.307 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.447 -1.676 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.240 -5.145 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.857 -3.743 -0.160 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.560 -3.526 1.039 1.00 0.00 H new ATOM 428 N ASN A 32 -3.840 -2.242 5.615 1.00 0.00 N ATOM 429 CA ASN A 32 -3.273 -2.344 6.955 1.00 0.00 C ATOM 430 C ASN A 32 -1.989 -1.533 7.057 1.00 0.00 C ATOM 431 O ASN A 32 -1.715 -0.677 6.217 1.00 0.00 O ATOM 432 CB ASN A 32 -2.991 -3.793 7.310 1.00 0.00 C ATOM 433 CG ASN A 32 -3.576 -4.209 8.636 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.495 -3.578 9.159 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.033 -5.285 9.182 1.00 0.00 N ATOM 0 H ASN A 32 -3.414 -2.866 4.930 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.003 -1.943 7.659 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.392 -4.436 6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.913 -3.951 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.374 -5.629 10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.273 -5.771 8.705 1.00 0.00 H new ATOM 442 N LEU A 33 -1.197 -1.819 8.083 1.00 0.00 N ATOM 443 CA LEU A 33 0.067 -1.126 8.284 1.00 0.00 C ATOM 444 C LEU A 33 1.232 -2.069 8.013 1.00 0.00 C ATOM 445 O LEU A 33 2.257 -2.017 8.694 1.00 0.00 O ATOM 446 CB LEU A 33 0.154 -0.580 9.710 1.00 0.00 C ATOM 447 CG LEU A 33 0.606 0.877 9.818 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.821 1.127 8.937 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.530 1.816 9.440 1.00 0.00 C ATOM 0 H LEU A 33 -1.408 -2.526 8.788 1.00 0.00 H new ATOM 0 HA LEU A 33 0.120 -0.290 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.825 -0.677 10.180 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.844 -1.202 10.280 1.00 0.00 H new ATOM 0 HG LEU A 33 0.887 1.074 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.128 2.169 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.639 0.479 9.253 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.568 0.912 7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.191 2.849 9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.841 1.617 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.373 1.656 10.112 1.00 0.00 H new ATOM 461 N GLU A 34 1.067 -2.937 7.017 1.00 0.00 N ATOM 462 CA GLU A 34 2.112 -3.896 6.668 1.00 0.00 C ATOM 463 C GLU A 34 1.983 -4.411 5.237 1.00 0.00 C ATOM 464 O GLU A 34 2.992 -4.654 4.576 1.00 0.00 O ATOM 465 CB GLU A 34 2.104 -5.070 7.648 1.00 0.00 C ATOM 466 CG GLU A 34 0.737 -5.715 7.813 1.00 0.00 C ATOM 467 CD GLU A 34 0.710 -6.748 8.923 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.625 -6.731 9.772 1.00 0.00 O ATOM 469 OE2 GLU A 34 -0.227 -7.574 8.942 1.00 0.00 O ATOM 0 H GLU A 34 0.227 -2.996 6.442 1.00 0.00 H new ATOM 0 HA GLU A 34 3.062 -3.367 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.813 -5.823 7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.453 -4.723 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.002 -4.942 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.447 -6.188 6.875 1.00 0.00 H new ATOM 476 N TRP A 35 0.759 -4.564 4.749 1.00 0.00 N ATOM 477 CA TRP A 35 0.565 -5.036 3.383 1.00 0.00 C ATOM 478 C TRP A 35 0.757 -3.882 2.411 1.00 0.00 C ATOM 479 O TRP A 35 1.136 -4.080 1.257 1.00 0.00 O ATOM 480 CB TRP A 35 -0.818 -5.661 3.190 1.00 0.00 C ATOM 481 CG TRP A 35 -1.294 -6.467 4.349 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.697 -6.017 5.562 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.420 -7.872 4.384 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.088 -7.061 6.352 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.916 -8.223 5.648 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.161 -8.861 3.459 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.156 -9.538 6.007 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.398 -10.179 3.812 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.892 -10.505 5.079 1.00 0.00 C ATOM 0 H TRP A 35 -0.099 -4.373 5.266 1.00 0.00 H new ATOM 0 HA TRP A 35 1.306 -5.811 3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.539 -4.867 2.994 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.796 -6.297 2.305 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.708 -4.980 5.862 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.447 -6.987 7.304 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.781 -8.613 2.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.538 -9.790 6.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.199 -10.966 3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.068 -11.541 5.329 1.00 0.00 H new ATOM 500 N SER A 36 0.509 -2.670 2.898 1.00 0.00 N ATOM 501 CA SER A 36 0.669 -1.475 2.091 1.00 0.00 C ATOM 502 C SER A 36 2.130 -1.312 1.678 1.00 0.00 C ATOM 503 O SER A 36 2.430 -0.714 0.645 1.00 0.00 O ATOM 504 CB SER A 36 0.185 -0.250 2.872 1.00 0.00 C ATOM 505 OG SER A 36 0.973 0.895 2.589 1.00 0.00 O ATOM 0 H SER A 36 0.195 -2.494 3.852 1.00 0.00 H new ATOM 0 HA SER A 36 0.067 -1.569 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.856 -0.047 2.622 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.221 -0.462 3.941 1.00 0.00 H new ATOM 0 HG SER A 36 0.559 1.405 1.862 1.00 0.00 H new ATOM 511 N GLN A 37 3.039 -1.851 2.494 1.00 0.00 N ATOM 512 CA GLN A 37 4.466 -1.764 2.206 1.00 0.00 C ATOM 513 C GLN A 37 4.774 -2.357 0.836 1.00 0.00 C ATOM 514 O GLN A 37 5.482 -1.750 0.033 1.00 0.00 O ATOM 515 CB GLN A 37 5.277 -2.487 3.288 1.00 0.00 C ATOM 516 CG GLN A 37 6.751 -2.634 2.949 1.00 0.00 C ATOM 517 CD GLN A 37 7.654 -2.324 4.124 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.187 -2.114 5.243 1.00 0.00 O ATOM 519 NE2 GLN A 37 8.956 -2.296 3.874 1.00 0.00 N ATOM 0 H GLN A 37 2.810 -2.349 3.354 1.00 0.00 H new ATOM 0 HA GLN A 37 4.749 -0.711 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.182 -1.941 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.850 -3.477 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.942 -3.652 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.997 -1.969 2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.298 -2.476 2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.615 -2.094 4.626 1.00 0.00 H new ATOM 528 N LYS A 38 4.236 -3.544 0.571 1.00 0.00 N ATOM 529 CA LYS A 38 4.455 -4.204 -0.710 1.00 0.00 C ATOM 530 C LYS A 38 3.891 -3.356 -1.843 1.00 0.00 C ATOM 531 O LYS A 38 4.370 -3.412 -2.977 1.00 0.00 O ATOM 532 CB LYS A 38 3.805 -5.589 -0.716 1.00 0.00 C ATOM 533 CG LYS A 38 4.404 -6.538 -1.742 1.00 0.00 C ATOM 534 CD LYS A 38 3.592 -7.817 -1.858 1.00 0.00 C ATOM 535 CE LYS A 38 4.384 -8.919 -2.544 1.00 0.00 C ATOM 536 NZ LYS A 38 3.756 -9.337 -3.829 1.00 0.00 N ATOM 0 H LYS A 38 3.649 -4.065 1.222 1.00 0.00 H new ATOM 0 HA LYS A 38 5.528 -4.322 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.902 -6.031 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.739 -5.480 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.449 -6.045 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.429 -6.781 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.290 -8.149 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.679 -7.620 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.400 -8.572 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.459 -9.780 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.326 -10.090 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.795 -9.692 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.708 -8.522 -4.473 1.00 0.00 H new ATOM 550 N CYS A 39 2.876 -2.563 -1.522 1.00 0.00 N ATOM 551 CA CYS A 39 2.244 -1.689 -2.499 1.00 0.00 C ATOM 552 C CYS A 39 3.127 -0.482 -2.786 1.00 0.00 C ATOM 553 O CYS A 39 3.077 0.097 -3.871 1.00 0.00 O ATOM 554 CB CYS A 39 0.885 -1.219 -1.979 1.00 0.00 C ATOM 555 SG CYS A 39 -0.310 -2.555 -1.732 1.00 0.00 S ATOM 0 H CYS A 39 2.472 -2.508 -0.587 1.00 0.00 H new ATOM 0 HA CYS A 39 2.103 -2.250 -3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.030 -0.696 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.468 -0.498 -2.682 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.512 -2.062 -1.701 1.00 0.00 H new ATOM 561 N LEU A 40 3.928 -0.104 -1.797 1.00 0.00 N ATOM 562 CA LEU A 40 4.819 1.040 -1.925 1.00 0.00 C ATOM 563 C LEU A 40 6.259 0.618 -2.157 1.00 0.00 C ATOM 564 O LEU A 40 7.172 1.422 -2.017 1.00 0.00 O ATOM 565 CB LEU A 40 4.756 1.885 -0.671 1.00 0.00 C ATOM 566 CG LEU A 40 3.443 2.622 -0.470 1.00 0.00 C ATOM 567 CD1 LEU A 40 2.962 2.454 0.942 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.615 4.084 -0.799 1.00 0.00 C ATOM 0 H LEU A 40 3.978 -0.576 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 40 4.485 1.613 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.933 1.244 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.566 2.614 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 40 2.695 2.199 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.020 2.987 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.811 1.395 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.705 2.857 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.668 4.604 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.372 4.517 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.929 4.189 -1.838 1.00 0.00 H new ATOM 580 N GLN A 41 6.465 -0.634 -2.498 1.00 0.00 N ATOM 581 CA GLN A 41 7.812 -1.124 -2.742 1.00 0.00 C ATOM 582 C GLN A 41 7.984 -1.524 -4.204 1.00 0.00 C ATOM 583 O GLN A 41 9.094 -1.511 -4.736 1.00 0.00 O ATOM 584 CB GLN A 41 8.132 -2.302 -1.819 1.00 0.00 C ATOM 585 CG GLN A 41 8.384 -1.891 -0.378 1.00 0.00 C ATOM 586 CD GLN A 41 9.833 -2.069 0.034 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.449 -1.159 0.589 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.385 -3.246 -0.237 1.00 0.00 N ATOM 0 H GLN A 41 5.728 -1.330 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 41 8.513 -0.318 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.304 -3.011 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.011 -2.823 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.098 -0.847 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.747 -2.481 0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.837 -3.972 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.357 -3.424 0.016 1.00 0.00 H new ATOM 597 N ASP A 42 6.874 -1.857 -4.857 1.00 0.00 N ATOM 598 CA ASP A 42 6.899 -2.236 -6.263 1.00 0.00 C ATOM 599 C ASP A 42 6.844 -0.989 -7.140 1.00 0.00 C ATOM 600 O ASP A 42 7.349 -0.980 -8.263 1.00 0.00 O ATOM 601 CB ASP A 42 5.724 -3.158 -6.590 1.00 0.00 C ATOM 602 CG ASP A 42 6.080 -4.625 -6.437 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.011 -5.086 -7.130 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.427 -5.311 -5.623 1.00 0.00 O ATOM 0 H ASP A 42 5.946 -1.871 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 42 7.827 -2.772 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.886 -2.920 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.393 -2.972 -7.612 1.00 0.00 H new ATOM 609 N ASN A 43 6.231 0.067 -6.609 1.00 0.00 N ATOM 610 CA ASN A 43 6.110 1.329 -7.328 1.00 0.00 C ATOM 611 C ASN A 43 7.179 2.330 -6.882 1.00 0.00 C ATOM 612 O ASN A 43 7.355 3.374 -7.509 1.00 0.00 O ATOM 613 CB ASN A 43 4.715 1.919 -7.123 1.00 0.00 C ATOM 614 CG ASN A 43 3.633 1.055 -7.741 1.00 0.00 C ATOM 615 OD1 ASN A 43 2.981 1.452 -8.707 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.438 -0.136 -7.186 1.00 0.00 N ATOM 0 H ASN A 43 5.810 0.071 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 43 6.262 1.128 -8.389 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.523 2.032 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.676 2.916 -7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.725 -0.762 -7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.002 -0.424 -6.386 1.00 0.00 H new ATOM 623 N ASN A 44 7.903 1.996 -5.807 1.00 0.00 N ATOM 624 CA ASN A 44 8.975 2.844 -5.280 1.00 0.00 C ATOM 625 C ASN A 44 8.454 3.926 -4.335 1.00 0.00 C ATOM 626 O ASN A 44 9.035 5.008 -4.252 1.00 0.00 O ATOM 627 CB ASN A 44 9.780 3.491 -6.412 1.00 0.00 C ATOM 628 CG ASN A 44 11.111 4.040 -5.934 1.00 0.00 C ATOM 629 OD1 ASN A 44 12.067 3.292 -5.731 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.178 5.353 -5.750 1.00 0.00 N ATOM 0 H ASN A 44 7.762 1.134 -5.281 1.00 0.00 H new ATOM 0 HA ASN A 44 9.628 2.186 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.954 2.755 -7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.195 4.297 -6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.047 5.779 -5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.361 5.936 -5.931 1.00 0.00 H new ATOM 637 N TRP A 45 7.390 3.629 -3.595 1.00 0.00 N ATOM 638 CA TRP A 45 6.854 4.584 -2.640 1.00 0.00 C ATOM 639 C TRP A 45 6.387 5.874 -3.291 1.00 0.00 C ATOM 640 O TRP A 45 6.451 6.939 -2.676 1.00 0.00 O ATOM 641 CB TRP A 45 7.908 4.878 -1.577 1.00 0.00 C ATOM 642 CG TRP A 45 8.330 3.632 -0.885 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.313 2.767 -1.272 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.746 3.077 0.294 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.357 1.705 -0.409 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.413 1.882 0.559 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.722 3.476 1.152 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.087 1.087 1.635 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.396 2.684 2.220 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.077 1.502 2.454 1.00 0.00 C ATOM 0 H TRP A 45 6.888 2.742 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 45 5.973 4.133 -2.184 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.774 5.352 -2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.508 5.585 -0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.958 2.900 -2.128 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.993 0.910 -0.479 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.192 4.400 0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.614 0.164 1.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.600 2.984 2.886 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.803 0.894 3.304 1.00 0.00 H new ATOM 661 N ASP A 46 5.874 5.789 -4.517 1.00 0.00 N ATOM 662 CA ASP A 46 5.360 6.977 -5.185 1.00 0.00 C ATOM 663 C ASP A 46 4.306 7.599 -4.292 1.00 0.00 C ATOM 664 O ASP A 46 4.219 8.817 -4.143 1.00 0.00 O ATOM 665 CB ASP A 46 4.772 6.627 -6.553 1.00 0.00 C ATOM 666 CG ASP A 46 4.868 7.779 -7.535 1.00 0.00 C ATOM 667 OD1 ASP A 46 5.296 8.877 -7.122 1.00 0.00 O ATOM 668 OD2 ASP A 46 4.516 7.583 -8.717 1.00 0.00 O ATOM 0 H ASP A 46 5.805 4.927 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 46 6.171 7.684 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.295 5.762 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.727 6.341 -6.434 1.00 0.00 H new ATOM 673 N TYR A 47 3.536 6.714 -3.670 1.00 0.00 N ATOM 674 CA TYR A 47 2.492 7.078 -2.728 1.00 0.00 C ATOM 675 C TYR A 47 1.193 7.503 -3.405 1.00 0.00 C ATOM 676 O TYR A 47 0.139 7.526 -2.769 1.00 0.00 O ATOM 677 CB TYR A 47 2.968 8.169 -1.778 1.00 0.00 C ATOM 678 CG TYR A 47 2.000 8.414 -0.657 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.895 9.229 -0.853 1.00 0.00 C ATOM 680 CD2 TYR A 47 2.182 7.831 0.592 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.003 9.462 0.163 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.289 8.060 1.615 1.00 0.00 C ATOM 683 CZ TYR A 47 0.195 8.879 1.395 1.00 0.00 C ATOM 684 OH TYR A 47 -0.703 9.119 2.404 1.00 0.00 O ATOM 0 H TYR A 47 3.623 5.708 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 47 2.274 6.174 -2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.936 7.889 -1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.115 9.094 -2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.737 9.688 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.035 7.190 0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.859 10.099 -0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.441 7.604 2.582 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.366 8.398 2.430 1.00 0.00 H new ATOM 694 N THR A 48 1.255 7.824 -4.685 1.00 0.00 N ATOM 695 CA THR A 48 0.067 8.228 -5.418 1.00 0.00 C ATOM 696 C THR A 48 -0.186 7.247 -6.550 1.00 0.00 C ATOM 697 O THR A 48 -1.305 6.771 -6.742 1.00 0.00 O ATOM 698 CB THR A 48 0.227 9.646 -5.968 1.00 0.00 C ATOM 699 OG1 THR A 48 1.324 10.300 -5.357 1.00 0.00 O ATOM 700 CG2 THR A 48 -0.998 10.511 -5.760 1.00 0.00 C ATOM 0 H THR A 48 2.112 7.813 -5.238 1.00 0.00 H new ATOM 0 HA THR A 48 -0.786 8.224 -4.740 1.00 0.00 H new ATOM 0 HB THR A 48 0.387 9.524 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.411 11.205 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.817 11.503 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.853 10.059 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.208 10.595 -4.694 1.00 0.00 H new ATOM 708 N ARG A 49 0.877 6.930 -7.279 1.00 0.00 N ATOM 709 CA ARG A 49 0.794 5.982 -8.377 1.00 0.00 C ATOM 710 C ARG A 49 0.841 4.559 -7.835 1.00 0.00 C ATOM 711 O ARG A 49 0.344 3.627 -8.466 1.00 0.00 O ATOM 712 CB ARG A 49 1.939 6.206 -9.366 1.00 0.00 C ATOM 713 CG ARG A 49 1.888 5.287 -10.576 1.00 0.00 C ATOM 714 CD ARG A 49 2.700 4.023 -10.350 1.00 0.00 C ATOM 715 NE ARG A 49 2.142 2.878 -11.064 1.00 0.00 N ATOM 716 CZ ARG A 49 2.348 2.647 -12.357 1.00 0.00 C ATOM 717 NH1 ARG A 49 3.094 3.479 -13.072 1.00 0.00 N ATOM 718 NH2 ARG A 49 1.807 1.584 -12.936 1.00 0.00 N ATOM 0 H ARG A 49 1.808 7.318 -7.127 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.149 6.134 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.917 7.241 -9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.888 6.060 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.852 5.022 -10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.269 5.814 -11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.727 4.189 -10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.737 3.802 -9.283 1.00 0.00 H new ATOM 0 HE ARG A 49 1.563 2.220 -10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.511 4.298 -12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.251 3.300 -14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.232 0.943 -12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.966 1.408 -13.928 1.00 0.00 H new ATOM 732 N SER A 50 1.427 4.402 -6.648 1.00 0.00 N ATOM 733 CA SER A 50 1.517 3.100 -6.014 1.00 0.00 C ATOM 734 C SER A 50 0.137 2.664 -5.558 1.00 0.00 C ATOM 735 O SER A 50 -0.432 1.726 -6.106 1.00 0.00 O ATOM 736 CB SER A 50 2.487 3.144 -4.831 1.00 0.00 C ATOM 737 OG SER A 50 3.624 3.939 -5.126 1.00 0.00 O ATOM 0 H SER A 50 1.844 5.163 -6.112 1.00 0.00 H new ATOM 0 HA SER A 50 1.899 2.377 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.977 3.545 -3.955 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.804 2.132 -4.580 1.00 0.00 H new ATOM 0 HG SER A 50 4.314 3.787 -4.447 1.00 0.00 H new ATOM 743 N ALA A 51 -0.409 3.360 -4.563 1.00 0.00 N ATOM 744 CA ALA A 51 -1.740 3.039 -4.065 1.00 0.00 C ATOM 745 C ALA A 51 -2.744 2.911 -5.208 1.00 0.00 C ATOM 746 O ALA A 51 -3.758 2.234 -5.079 1.00 0.00 O ATOM 747 CB ALA A 51 -2.215 4.073 -3.066 1.00 0.00 C ATOM 0 H ALA A 51 0.046 4.142 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.672 2.076 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.211 3.806 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.527 4.106 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.250 5.052 -3.544 1.00 0.00 H new ATOM 753 N GLN A 52 -2.462 3.557 -6.333 1.00 0.00 N ATOM 754 CA GLN A 52 -3.360 3.481 -7.478 1.00 0.00 C ATOM 755 C GLN A 52 -3.406 2.056 -8.013 1.00 0.00 C ATOM 756 O GLN A 52 -4.481 1.489 -8.209 1.00 0.00 O ATOM 757 CB GLN A 52 -2.920 4.448 -8.579 1.00 0.00 C ATOM 758 CG GLN A 52 -4.042 4.849 -9.521 1.00 0.00 C ATOM 759 CD GLN A 52 -3.549 5.668 -10.699 1.00 0.00 C ATOM 760 OE1 GLN A 52 -3.084 5.121 -11.699 1.00 0.00 O ATOM 761 NE2 GLN A 52 -3.649 6.987 -10.584 1.00 0.00 N ATOM 0 H GLN A 52 -1.631 4.131 -6.476 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.359 3.769 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.505 5.345 -8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.119 3.987 -9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.540 3.952 -9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.787 5.423 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.041 7.397 -9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.334 7.591 -11.343 1.00 0.00 H new ATOM 770 N ALA A 53 -2.232 1.475 -8.227 1.00 0.00 N ATOM 771 CA ALA A 53 -2.137 0.108 -8.714 1.00 0.00 C ATOM 772 C ALA A 53 -2.554 -0.880 -7.630 1.00 0.00 C ATOM 773 O ALA A 53 -2.932 -2.015 -7.919 1.00 0.00 O ATOM 774 CB ALA A 53 -0.718 -0.186 -9.167 1.00 0.00 C ATOM 0 H ALA A 53 -1.333 1.931 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.813 -0.004 -9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.657 -1.212 -9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.443 0.499 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.034 -0.057 -8.328 1.00 0.00 H new ATOM 780 N PHE A 54 -2.484 -0.435 -6.379 1.00 0.00 N ATOM 781 CA PHE A 54 -2.853 -1.263 -5.247 1.00 0.00 C ATOM 782 C PHE A 54 -4.359 -1.486 -5.240 1.00 0.00 C ATOM 783 O PHE A 54 -4.830 -2.583 -4.944 1.00 0.00 O ATOM 784 CB PHE A 54 -2.362 -0.600 -3.936 1.00 0.00 C ATOM 785 CG PHE A 54 -3.381 -0.509 -2.820 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.720 -1.638 -2.099 1.00 0.00 C ATOM 787 CD2 PHE A 54 -3.997 0.697 -2.500 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.645 -1.571 -1.082 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.930 0.765 -1.481 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.251 -0.369 -0.775 1.00 0.00 C ATOM 0 H PHE A 54 -2.172 0.503 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.375 -2.239 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.500 -1.158 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.015 0.407 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.254 -2.583 -2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.744 1.589 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.897 -2.460 -0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.404 1.705 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.979 -0.320 0.022 1.00 0.00 H new ATOM 800 N THR A 55 -5.107 -0.435 -5.559 1.00 0.00 N ATOM 801 CA THR A 55 -6.556 -0.526 -5.572 1.00 0.00 C ATOM 802 C THR A 55 -7.019 -1.622 -6.521 1.00 0.00 C ATOM 803 O THR A 55 -7.842 -2.463 -6.160 1.00 0.00 O ATOM 804 CB THR A 55 -7.188 0.811 -5.958 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.263 0.946 -7.366 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.442 2.014 -5.418 1.00 0.00 C ATOM 0 H THR A 55 -4.735 0.481 -5.810 1.00 0.00 H new ATOM 0 HA THR A 55 -6.882 -0.779 -4.563 1.00 0.00 H new ATOM 0 HB THR A 55 -8.181 0.794 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.373 1.147 -7.723 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.948 2.927 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.418 1.968 -4.329 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.423 2.013 -5.804 1.00 0.00 H new ATOM 814 N HIS A 56 -6.474 -1.620 -7.730 1.00 0.00 N ATOM 815 CA HIS A 56 -6.823 -2.629 -8.719 1.00 0.00 C ATOM 816 C HIS A 56 -6.474 -4.020 -8.201 1.00 0.00 C ATOM 817 O HIS A 56 -7.060 -5.017 -8.620 1.00 0.00 O ATOM 818 CB HIS A 56 -6.076 -2.364 -10.025 1.00 0.00 C ATOM 819 CG HIS A 56 -6.574 -3.183 -11.176 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.750 -3.834 -12.067 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.843 -3.450 -11.574 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.527 -4.462 -12.960 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.805 -4.262 -12.705 1.00 0.00 N ATOM 0 H HIS A 56 -5.791 -0.933 -8.048 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.896 -2.578 -8.903 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.164 -1.307 -10.277 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.016 -2.569 -9.876 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.730 -3.837 -12.050 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.740 -3.090 -11.091 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.155 -5.055 -13.782 1.00 0.00 H new ATOM 831 N LEU A 57 -5.505 -4.073 -7.294 1.00 0.00 N ATOM 832 CA LEU A 57 -5.053 -5.333 -6.717 1.00 0.00 C ATOM 833 C LEU A 57 -5.964 -5.805 -5.582 1.00 0.00 C ATOM 834 O LEU A 57 -6.041 -7.002 -5.303 1.00 0.00 O ATOM 835 CB LEU A 57 -3.618 -5.183 -6.205 1.00 0.00 C ATOM 836 CG LEU A 57 -2.866 -6.495 -5.977 1.00 0.00 C ATOM 837 CD1 LEU A 57 -1.367 -6.279 -6.112 1.00 0.00 C ATOM 838 CD2 LEU A 57 -3.203 -7.067 -4.609 1.00 0.00 C ATOM 0 H LEU A 57 -5.015 -3.251 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.090 -6.088 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.056 -4.580 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.640 -4.628 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.179 -7.211 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.847 -7.223 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.141 -5.911 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.037 -5.549 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.660 -8.001 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.916 -6.354 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.275 -7.257 -4.548 1.00 0.00 H new ATOM 850 N LYS A 58 -6.649 -4.872 -4.923 1.00 0.00 N ATOM 851 CA LYS A 58 -7.540 -5.235 -3.820 1.00 0.00 C ATOM 852 C LYS A 58 -8.630 -6.190 -4.293 1.00 0.00 C ATOM 853 O LYS A 58 -9.091 -7.046 -3.537 1.00 0.00 O ATOM 854 CB LYS A 58 -8.183 -3.991 -3.196 1.00 0.00 C ATOM 855 CG LYS A 58 -7.189 -2.900 -2.835 1.00 0.00 C ATOM 856 CD LYS A 58 -7.890 -1.623 -2.398 1.00 0.00 C ATOM 857 CE LYS A 58 -8.955 -1.194 -3.397 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.326 -1.542 -2.931 1.00 0.00 N ATOM 0 H LYS A 58 -6.607 -3.874 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.934 -5.734 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.916 -3.585 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.726 -4.286 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.539 -3.251 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.552 -2.690 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.348 -1.776 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.156 -0.826 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.889 -0.118 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.766 -1.673 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.989 -1.488 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.327 -2.508 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.621 -0.873 -2.191 1.00 0.00 H new ATOM 872 N ALA A 59 -9.043 -6.034 -5.546 1.00 0.00 N ATOM 873 CA ALA A 59 -10.085 -6.879 -6.118 1.00 0.00 C ATOM 874 C ALA A 59 -9.498 -7.944 -7.041 1.00 0.00 C ATOM 875 O ALA A 59 -9.772 -9.133 -6.884 1.00 0.00 O ATOM 876 CB ALA A 59 -11.097 -6.028 -6.871 1.00 0.00 C ATOM 0 H ALA A 59 -8.672 -5.331 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.588 -7.391 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.870 -6.670 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.553 -5.314 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.594 -5.490 -7.674 1.00 0.00 H new ATOM 882 N LYS A 60 -8.692 -7.508 -8.004 1.00 0.00 N ATOM 883 CA LYS A 60 -8.070 -8.426 -8.952 1.00 0.00 C ATOM 884 C LYS A 60 -6.968 -9.237 -8.280 1.00 0.00 C ATOM 885 O LYS A 60 -6.873 -10.451 -8.469 1.00 0.00 O ATOM 886 CB LYS A 60 -7.496 -7.653 -10.141 1.00 0.00 C ATOM 887 CG LYS A 60 -8.559 -7.020 -11.024 1.00 0.00 C ATOM 888 CD LYS A 60 -8.459 -7.513 -12.458 1.00 0.00 C ATOM 889 CE LYS A 60 -9.553 -8.520 -12.778 1.00 0.00 C ATOM 890 NZ LYS A 60 -9.255 -9.864 -12.209 1.00 0.00 N ATOM 0 H LYS A 60 -8.455 -6.527 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.837 -9.113 -9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.832 -6.873 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.889 -8.328 -10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.548 -7.251 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.452 -5.935 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.531 -6.666 -13.141 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.483 -7.971 -12.619 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.503 -8.161 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.667 -8.601 -13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.788 -10.588 -12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.236 -10.058 -12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.532 -9.886 -11.207 1.00 0.00 H new ATOM 904 N GLY A 61 -6.140 -8.558 -7.496 1.00 0.00 N ATOM 905 CA GLY A 61 -5.054 -9.227 -6.805 1.00 0.00 C ATOM 906 C GLY A 61 -5.541 -10.339 -5.897 1.00 0.00 C ATOM 907 O GLY A 61 -6.061 -11.351 -6.368 1.00 0.00 O ATOM 0 H GLY A 61 -6.201 -7.554 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.360 -9.639 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.499 -8.498 -6.215 1.00 0.00 H new ATOM 911 N GLU A 62 -5.372 -10.155 -4.591 1.00 0.00 N ATOM 912 CA GLU A 62 -5.800 -11.156 -3.623 1.00 0.00 C ATOM 913 C GLU A 62 -5.648 -10.647 -2.191 1.00 0.00 C ATOM 914 O GLU A 62 -5.384 -11.425 -1.275 1.00 0.00 O ATOM 915 CB GLU A 62 -4.997 -12.445 -3.804 1.00 0.00 C ATOM 916 CG GLU A 62 -3.500 -12.260 -3.615 1.00 0.00 C ATOM 917 CD GLU A 62 -2.881 -13.355 -2.768 1.00 0.00 C ATOM 918 OE1 GLU A 62 -2.503 -14.402 -3.335 1.00 0.00 O ATOM 919 OE2 GLU A 62 -2.774 -13.165 -1.538 1.00 0.00 O ATOM 0 H GLU A 62 -4.943 -9.325 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.856 -11.360 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.355 -13.190 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.183 -12.842 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.014 -12.241 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.313 -11.294 -3.147 1.00 0.00 H new ATOM 926 N ILE A 63 -5.820 -9.342 -2.000 1.00 0.00 N ATOM 927 CA ILE A 63 -5.706 -8.751 -0.674 1.00 0.00 C ATOM 928 C ILE A 63 -6.662 -9.435 0.298 1.00 0.00 C ATOM 929 O ILE A 63 -7.877 -9.394 0.110 1.00 0.00 O ATOM 930 CB ILE A 63 -6.004 -7.229 -0.697 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.894 -6.490 -1.446 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.157 -6.671 0.722 1.00 0.00 C ATOM 933 CD1 ILE A 63 -4.998 -4.983 -1.357 1.00 0.00 C ATOM 0 H ILE A 63 -6.038 -8.678 -2.743 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.678 -8.897 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.949 -7.074 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.929 -6.803 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.917 -6.785 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.365 -5.602 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.980 -7.178 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.235 -6.835 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.177 -4.528 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.948 -4.658 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.944 -4.676 -0.313 1.00 0.00 H new ATOM 945 N PRO A 64 -6.134 -10.051 1.366 1.00 0.00 N ATOM 946 CA PRO A 64 -6.963 -10.705 2.361 1.00 0.00 C ATOM 947 C PRO A 64 -7.477 -9.695 3.379 1.00 0.00 C ATOM 948 O PRO A 64 -6.876 -8.641 3.576 1.00 0.00 O ATOM 949 CB PRO A 64 -6.001 -11.703 2.991 1.00 0.00 C ATOM 950 CG PRO A 64 -4.673 -11.025 2.928 1.00 0.00 C ATOM 951 CD PRO A 64 -4.700 -10.138 1.706 1.00 0.00 C ATOM 0 HA PRO A 64 -7.856 -11.178 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.282 -11.932 4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.992 -12.646 2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.494 -10.438 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.867 -11.756 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.278 -9.155 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.120 -10.566 0.888 1.00 0.00 H new ATOM 959 N GLU A 65 -8.604 -10.006 3.997 1.00 0.00 N ATOM 960 CA GLU A 65 -9.217 -9.109 4.969 1.00 0.00 C ATOM 961 C GLU A 65 -8.285 -8.797 6.138 1.00 0.00 C ATOM 962 O GLU A 65 -8.353 -7.716 6.715 1.00 0.00 O ATOM 963 CB GLU A 65 -10.515 -9.721 5.475 1.00 0.00 C ATOM 964 CG GLU A 65 -11.160 -8.944 6.612 1.00 0.00 C ATOM 965 CD GLU A 65 -12.549 -8.446 6.263 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.247 -9.131 5.487 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.938 -7.371 6.766 1.00 0.00 O ATOM 0 H GLU A 65 -9.116 -10.875 3.844 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.424 -8.163 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.221 -9.788 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.319 -10.740 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.217 -9.580 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.528 -8.095 6.871 1.00 0.00 H new ATOM 974 N VAL A 66 -7.411 -9.736 6.486 1.00 0.00 N ATOM 975 CA VAL A 66 -6.467 -9.532 7.593 1.00 0.00 C ATOM 976 C VAL A 66 -5.831 -8.146 7.500 1.00 0.00 C ATOM 977 O VAL A 66 -5.476 -7.534 8.507 1.00 0.00 O ATOM 978 CB VAL A 66 -5.362 -10.615 7.583 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.781 -10.748 6.194 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.256 -10.311 8.585 1.00 0.00 C ATOM 0 H VAL A 66 -7.332 -10.642 6.024 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.022 -9.610 8.528 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.822 -11.558 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.004 -11.512 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.568 -11.033 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.351 -9.795 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.502 -11.097 8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.796 -9.354 8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.677 -10.265 9.589 1.00 0.00 H new ATOM 990 N ALA A 67 -5.702 -7.670 6.272 1.00 0.00 N ATOM 991 CA ALA A 67 -5.123 -6.367 5.991 1.00 0.00 C ATOM 992 C ALA A 67 -6.081 -5.238 6.355 1.00 0.00 C ATOM 993 O ALA A 67 -5.880 -4.528 7.339 1.00 0.00 O ATOM 994 CB ALA A 67 -4.770 -6.292 4.519 1.00 0.00 C ATOM 0 H ALA A 67 -5.997 -8.179 5.439 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.227 -6.247 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.335 -5.317 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.050 -7.074 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.671 -6.431 3.921 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.116 -5.071 5.541 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.102 -4.019 5.753 1.00 0.00 C ATOM 1002 C PHE A 68 -8.543 -3.935 7.213 1.00 0.00 C ATOM 1003 O PHE A 68 -8.374 -2.903 7.862 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.307 -4.238 4.840 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.970 -4.128 3.395 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.702 -2.898 2.831 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.917 -5.256 2.603 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.386 -2.793 1.498 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.602 -5.162 1.270 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.334 -3.928 0.711 1.00 0.00 C ATOM 0 H PHE A 68 -7.295 -5.654 4.724 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.631 -3.068 5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.729 -5.224 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.078 -3.507 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.741 -2.009 3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.125 -6.223 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.179 -1.825 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.564 -6.052 0.659 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.085 -3.850 -0.337 1.00 0.00 H new ATOM 1020 N MET A 69 -9.108 -5.021 7.725 1.00 0.00 N ATOM 1021 CA MET A 69 -9.572 -5.057 9.108 1.00 0.00 C ATOM 1022 C MET A 69 -9.577 -6.482 9.654 1.00 0.00 C ATOM 1023 O MET A 69 -8.639 -6.900 10.333 1.00 0.00 O ATOM 1024 CB MET A 69 -10.974 -4.454 9.212 1.00 0.00 C ATOM 1025 CG MET A 69 -10.991 -3.050 9.794 1.00 0.00 C ATOM 1026 SD MET A 69 -11.287 -1.784 8.543 1.00 0.00 S ATOM 1027 CE MET A 69 -10.177 -0.493 9.099 1.00 0.00 C ATOM 0 H MET A 69 -9.256 -5.887 7.206 1.00 0.00 H new ATOM 0 HA MET A 69 -8.880 -4.465 9.708 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.426 -4.433 8.220 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.594 -5.102 9.831 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.765 -2.987 10.559 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.039 -2.853 10.287 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.599 0.481 8.851 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.044 -0.567 10.178 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.211 -0.606 8.606 1.00 0.00 H new ATOM 1037 N LYS A 70 -10.643 -7.219 9.359 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.778 -8.595 9.823 1.00 0.00 C ATOM 1039 C LYS A 70 -10.925 -8.643 11.341 1.00 0.00 C ATOM 1040 O LYS A 70 -9.928 -8.970 12.020 1.00 0.00 O ATOM 1041 CB LYS A 70 -9.574 -9.433 9.391 1.00 0.00 C ATOM 1042 CG LYS A 70 -9.685 -10.898 9.780 1.00 0.00 C ATOM 1043 CD LYS A 70 -8.524 -11.712 9.230 1.00 0.00 C ATOM 1044 CE LYS A 70 -8.624 -11.876 7.723 1.00 0.00 C ATOM 1045 NZ LYS A 70 -9.404 -13.085 7.344 1.00 0.00 N ATOM 1046 OXT LYS A 70 -12.033 -8.353 11.837 1.00 0.00 O ATOM 0 H LYS A 70 -11.428 -6.885 8.799 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.677 -9.013 9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.460 -9.360 8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.671 -9.014 9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.710 -10.986 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.625 -11.304 9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.583 -11.223 9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.510 -12.694 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.094 -10.992 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.622 -11.943 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.448 -13.159 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.942 -13.932 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.368 -13.010 7.727 1.00 0.00 H new